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Records |
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Author |
Mehmonov, K.; Ergasheva, A.; Yusupov, M.; Khalilov, U. |
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Title |
The role of carbon monoxide in the catalytic synthesis of endohedral carbyne |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
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Volume |
134 |
Issue |
14 |
Pages |
144303-144307 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The unique physical properties of carbyne, a novel carbon nanostructure, have attracted considerable interest in modern nanotechnology. While carbyne synthesis has been accomplished successfully using diverse techniques, the underlying mechanisms governing the carbon monoxide-dependent catalytic synthesis of endohedral carbyne remain poorly understood. In this simulation-based study, we investigate the synthesis of endohedral carbyne from carbon and carbon monoxide radicals in the presence of a nickel catalyst inside double-walled carbon nanotubes with a (5,5)@(10,10) structure. The outcome of our investigation demonstrates that the incorporation of the carbon atom within the Ni-n@(5,5)@(10,10) model system initiates the formation of an elongated carbon chain. In contrast, upon the introduction of carbon monoxide radicals, the growth of the carbyne chain is inhibited as a result of the oxidation of endohedral nickel clusters by oxygen atoms after the initial steps of nucleation. Our findings align with prior theoretical, simulation, and experimental investigations, reinforcing their consistency and providing valuable insights into the synthesis of carbyne-based nanodevices that hold promising potential for future advancements in nanotechnology. |
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Wos |
001083993400003 |
Publication Date |
2023-10-10 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:201233 |
Serial |
9106 |
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Permanent link to this record |
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Author |
Tchakoua, T.; Gerrits, N.; Smeets, E.W.F.; Kroes, G.-J. |
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Title |
SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of chemical theory and computation |
Abbreviated Journal |
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Volume |
19 |
Issue |
1 |
Pages |
245-270 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative chemisorption barriers for the reactions of molecules on metal surfaces have received much less attention. The first database called SBH10 and containing 10 entries was recently constructed based on the specific reaction parameter approach to density functional theory (SRP-DFT) and experimental results. We have now constructed a new and improved database (SBH17) containing 17 entries based on SRP-DFT and experiments. For this new SBH17 benchmark study, we have tested three algorithms (high, medium, and light) for calculating barrier heights for dissociative chemisorption on metals, which we have named for the amount of computational effort involved in their use. We test the performance of 14 density functionals at the GGA, GGA+vdW-DF, and meta-GGA rungs. Our results show that, in contrast with the previous SBH10 study where the BEEF-vdW-DF2 functional seemed to be most accurate, the workhorse functional PBE and the MS2 density functional are the most accurate of the GGA and meta-GGA functionals tested. Of the GGA+vdW functionals tested, the SRP32-vdW-DF1 functional is the most accurate. Additionally, we found that the medium algorithm is accurate enough for assessing the performance of the density functionals tested, while it avoids geometry optimizations of minimum barrier geometries for each density functional tested. The medium algorithm does require metal lattice constants and interlayer distances that are optimized separately for each functional. While these are avoided in the light algorithm, this algorithm is found not to give a reliable description of functional performance. The combination of relative ease of use and demonstrated reliability of the medium algorithm will likely pave the way for incorporation of the SBH17 database in larger databases used for testing new density functionals and electronic structure methods. |
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Wos |
000903286100001 |
Publication Date |
2022-12-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1549-9618 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.5 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5.5; 2023 IF: 5.245 |
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Call Number |
UA @ admin @ c:irua:193426 |
Serial |
7274 |
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Permanent link to this record |
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Author |
Sauve, G.; Esguerra, J.L.; Laner, D.; Johansson, J.; Svensson, N.; Van Passel, S.; Van Acker, K. |
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Title |
Integrated early-stage environmental and economic assessment of emerging technologies and its applicability to the case of plasma gasification |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of Cleaner Production |
Abbreviated Journal |
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Volume |
382 |
Issue |
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Pages |
134684-14 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Economic and environmental impact assessments are increasingly being adopted in the design and implementation of emerging systems. However, their emerging nature leads to several assessment challenges that need to be addressed to ensure the validity and usefulness of results in understanding their potential performance and supporting their development. There is the need to (i) account for spatial and temporal variability to allow a broader perspective at an early stage of development; (ii) handle uncertainties to systematically identify the critical factors and their interrelations that drive the results; (iii) integrate environmental and economic results to support sound decision-making based on two sustainability aspects. To address these assessment challenges, this study presents an alternative approach with the following corresponding features: (i) multiple scenario development to conduct an exploratory assessment of the systems under varying conditions and settings, (ii) global sensitivity analysis to identify the main critical factors and their interrelations, and (iii) trade-off and ecoefficiency analysis to integrate the economic and environmental results. The integrated approach is applied to a case study on plasma gasification for solid waste management. The results of the study highlight how the approach allows the identification of the dynamic relations between project settings and surrounding conditions. For example, the choice of gasifying agent largely depends on the background energy system, which dictates the impacts of the process energy requirement and the savings from the substituted energy of the syngas output. Based on these findings, the usefulness and validity of the proposed integrated approach are discussed in terms of how the key assessment challenges are addressed and how it can provide guidance for the development of emerging systems. |
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Wos |
000906664200001 |
Publication Date |
2022-10-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
11.1 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 11.1; 2023 IF: 5.715 |
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Call Number |
UA @ admin @ c:irua:193464 |
Serial |
7361 |
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Permanent link to this record |
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Author |
Buyle, M.; Audenaert, A.; Brusselaers, J.; Van Passel, S. |
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Title |
Rebound effects following technological advancement? The case of a global shock in ferrochrome supply |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of Cleaner Production |
Abbreviated Journal |
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Volume |
391 |
Issue |
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Pages |
136264-11 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Energy and Materials in Infrastructure and Buildings (EMIB) |
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Abstract |
Novel recycling technologies aim at increasing material efficiency by turning former waste products into valuable reclaimed resources. A key question is whether such technologies really reduce primary resource consumption or instead stimulate aggregated market demand. In this study the consequences of a positive shock in ferrochrome supply to the global stainless steel value chain is assessed quantitatively. This new source might be unlocked by technology under development for the recovery of chromium from carbon and stainless steel slags. The aim of this study is to quantitatively assess the income and substitution effects of reclaimed ferrochrome along a part of the stainless steel value chain. The impact of the supply shock is analysed by means of a vector autoregression (VAR), a dynamic model where lagged values of all included variables estimate current state of the system. Additionally, the VAR model is extended to a structural vector autoregression (SVAR) to account for contemporary effects as well. Both the VAR and SVAR model indicate that additional ferrochrome supply leads to an increase in aggregated supply of stainless steel, in combination with a substitution effect between ferrochrome and nickel. The extended SVAR model additionally highlights that contemporaneous effects do play an important role as well to capture the direct rebound effect in the ferrochrome market when working with quarterly data. In other words, an additional supply of reclaimed ferrochrome triggers a complex combination of interactions and consequences, yet it does not necessarily lead to a lower overall material consumption. The main contributions of this paper are the assessment of direct rebound effects of supplying reclaimed metals along the value chain and the demonstration that quantifying the effects of circular strategies is feasible. |
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Wos |
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Publication Date |
2023-01-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0959-6526 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
11.1 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 11.1; 2023 IF: 5.715 |
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Call Number |
UA @ admin @ c:irua:193569 |
Serial |
7365 |
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Permanent link to this record |
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Author |
Vingerhoets, R.; Spiller, M.; De Backer, J.; Adriaens, A.; Vlaeminck, S.E.; Meers, E. |
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Title |
Detailed nitrogen and phosphorus flow analysis, nutrient use efficiency and circularity in the agri-food system of a livestock-intensive region |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
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Volume |
410 |
Issue |
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Pages |
137278-13 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The agri-food value chain is a major cause of nitrogen (N) and phosphorus (P) emissions and associated environmental and health impacts. The EU's farm-to-fork strategy (F2F) demands an agri-food value chain approach to reduce nutrient emissions by 50% and fertilizer use by 20%. Substance flow analysis (SFA) is a method that can be applied to study complex systems such as the agri-food chain. A review of 60 SFA studies shows that they often lack detail by not sufficiently distinguishing between nodes, products and types of emissions. The present study aims to assess the added value of detail in SFAs and to illustrate that valuable indicators can be derived from detailed assessments. This aim will be attained by presenting a highly-detailed SFA for the livestock-intensive region of Flanders, Belgium. The SFA distinguishes 40 nodes and 1827 flows that are classified into eight different categories (e.g. by-products, point source emissions) following life cycle methods. Eight novel indicators were calculated, including indicators that assess the N and P recovery potential. Flanders has a low overall nutrient use efficiency (11% N, 18% P). About 55% of the N and 56% of the P embedded in recoverable streams are reused providing 35% and 37% of the total N and P input. Optimized nutrient recycling could replace 45% of N and 48% of P of the external nutrient input, exceeding the target set by the F2F strategy. Detailed accounting for N and P flows and nodes leads to the identification of more recoverable streams and larger N and P flows. More detailed flow accounting is a prerequisite for the quantification of technological intervention options. Future research should focus on including concentration and quality as a parameter in SFAs. |
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Wos |
000991013600001 |
Publication Date |
2023-04-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.1 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 11.1; 2023 IF: 5.715 |
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Call Number |
UA @ admin @ c:irua:196227 |
Serial |
7770 |
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Permanent link to this record |
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Author |
Marchetti, A.; Beltran, V.; Storme, P.; Nuyts, G.; Van Der Meeren, L.; Skirtach, A.; Otten, E.; Debulpaep, M.; Watteeuw, L.; De Wael, K. |
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Title |
All that glitters is not gold : unraveling the material secrets behind the preservation of historical brass |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of cultural heritage |
Abbreviated Journal |
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Volume |
63 |
Issue |
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Pages |
179-186 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Art; History; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Brass is a relatively stable alloy but it tends to tarnish over time due to the interaction with the atmosphere. Thus, it is rare to observe centuries-old brass objects untouched by the passing of time. For this reason, the pristine appearance of hundreds of brass sequins in the Enclosed Gardens of Mechelen (reliquary altarpieces produced between 1530 and 1550) is remarkable. In this study, the chemical and metallographic characterization of such unexpectedly well-preserved objects is presented. The results revealed the reason for their stability to be a combination of high-quality materials (i.e. medium Zn content, low impurities) and optimal surface properties (i.e. high homogeneity, low roughness), indicating the high level of expertise of the craftsmen who produced them. Novel fundamental insights on the historical manufacturing method of metallic sequins were also obtained. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
001058894000001 |
Publication Date |
2023-08-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1296-2074 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.1 |
Times cited |
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Open Access |
Not_Open_Access: Available from 15.08.2024 |
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Notes |
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Approved |
Most recent IF: 3.1; 2023 IF: 1.838 |
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Call Number |
UA @ admin @ c:irua:198113 |
Serial |
8830 |
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Permanent link to this record |
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Author |
Salden, A.; Budde, M.; Garcia-Soto, C.A.; Biondo, O.; Barauna, J.; Faedda, M.; Musig, B.; Fromentin, C.; Nguyen-Quang, M.; Philpott, H.; Hasrack, G.; Aceto, D.; Cai, Y.; Jury, F.A.; Bogaerts, A.; Da Costa, P.; Engeln, R.; Galvez, M.E.; Gans, T.; Garcia, T.; Guerra, V.; Henriques, C.; Motak, M.; Navarro, M.V.; Parvulescu, V.I.; Van Rooij, G.; Samojeden, B.; Sobota, A.; Tosi, P.; Tu, X.; Guaitella, O. |
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Title |
Meta-analysis of CO₂ conversion, energy efficiency, and other performance data of plasma-catalysis reactors with the open access PIONEER database |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of energy chemistry |
Abbreviated Journal |
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Volume |
86 |
Issue |
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Pages |
318-342 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This paper brings the comparison of performances of CO2 conversion by plasma and plasma-assisted catalysis based on the data collected from literature in this field, organised in an open access online data-base. This tool is open to all users to carry out their own analyses, but also to contributors who wish to add their data to the database in order to improve the relevance of the comparisons made, and ultimately to improve the efficiency of CO2 conversion by plasma-catalysis. The creation of this database and data-base user interface is motivated by the fact that plasma-catalysis is a fast-growing field for all CO2 con-version processes, be it methanation, dry reforming of methane, methanolisation, or others. As a result of this rapid increase, there is a need for a set of standard procedures to rigorously compare performances of different systems. However, this is currently not possible because the fundamental mechanisms of plasma-catalysis are still too poorly understood to define these standard procedures. Fortunately how-ever, the accumulated data within the CO2 plasma-catalysis community has become large enough to war-rant so-called “big data” studies more familiar in the fields of medicine and the social sciences. To enable comparisons between multiple data sets and make future research more effective, this work proposes the first database on CO2 conversion performances by plasma-catalysis open to the whole community. This database has been initiated in the framework of a H2020 European project and is called the “PIONEER DataBase”. The database gathers a large amount of CO2 conversion performance data such as conversion rate, energy efficiency, and selectivity for numerous plasma sources coupled with or without a catalyst. Each data set is associated with metadata describing the gas mixture, the plasma source, the nature of the catalyst, and the form of coupling with the plasma. Beyond the database itself, a data extraction tool with direct visualisation features or advanced filtering functionalities has been developed and is available online to the public. The simple and fast visualisation of the state of the art puts new results into context, identifies literal gaps in data, and consequently points towards promising research routes. More advanced data extraction illustrates the impact that the database can have in the understanding of plasma-catalyst coupling. Lessons learned from the review of a large amount of literature during the setup of the database lead to best practice advice to increase comparability between future CO2 plasma-catalytic studies. Finally, the community is strongly encouraged to contribute to the database not only to increase the visibility of their data but also the relevance of the comparisons allowed by this tool. (c) 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. This is an open access article under the CC BY license (http://creati- vecommons.org/licenses/by/4.0/). |
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Wos |
001083545900001 |
Publication Date |
2023-08-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2095-4956 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:200416 |
Serial |
9056 |
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Permanent link to this record |
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Author |
De Paepe, J.; Garcia Gragera, D.; Arnau Jimenez, C.; Rabaey, K.; Vlaeminck, S.E.; Gòdia, F. |
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Title |
Continuous cultivation of microalgae yields high nutrient recovery from nitrified urine with limited supplementation |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of environmental management |
Abbreviated Journal |
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Volume |
345 |
Issue |
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Pages |
118500-118510 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Microalgae can play a key role in the bioeconomy, particularly in combination with the valorisation of waste streams as cultivation media. Urine is an example of a widely available nutrient-rich waste stream, and alkaline stabilization and subsequent full nitrification in a bioreactor yields a stable nitrate-rich solution. In this study, such nitrified urine served as a culture medium for the edible microalga Limnospira indica. In batch cultivation, nitrified urine without additional supplements yielded a lower biomass concentration, nutrient uptake and protein content compared to modified Zarrouk medium, as standard medium. To enhance the nitrogen uptake efficiency and biomass production, nitrified urine was supplemented with potentially limiting elements. Limited amounts of phosphorus (36 mg L−1), magnesium (7.9 mg L−1), calcium (12.2 mg L−1), iron (2.0 mg L−1) and EDTA (88.5 mg Na2-EDTA.2H2O L−1) rendered the nitrified urine matrix as effective as modified Zarrouk medium in terms of biomass production (OD750 of 1.2), nutrient uptake (130 mg N L−1) and protein yield (47%) in batch culture. Urine precipitates formed by alkalinisation could in principle supply enough phosphorus, calcium and magnesium, requiring only external addition of iron, EDTA and inorganic carbon. Subsequently, the suitability of supplemented nitrified urine as a culture medium was confirmed in continuous Limnospira cultivation in a CSTR photobioreactor. This qualifies nitrified urine as a valuable and sustainable microalgae growth medium, thereby creating novel nutrient loops on Earth and in Space, i.e., in regenerative life support systems for human deep-space missions. |
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Place of Publication |
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Editor |
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Language |
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Wos |
001052880800001 |
Publication Date |
2023-08-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0301-4797 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
8.7 |
Times cited |
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Open Access |
Not_Open_Access: Available from 03.02.2024 |
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Notes |
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Approved |
Most recent IF: 8.7; 2023 IF: 4.01 |
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Call Number |
UA @ admin @ c:irua:199049 |
Serial |
8844 |
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Permanent link to this record |
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Author |
Fitawok, M.B.; Derudder, B.; Minale, A.S.; Van Passel, S.; Adgo, E.; Nyssen, J. |
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Title |
Stakeholder perspectives on farmers' resistance towards urban land-use changes in Bahir Dar, Ethiopia |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of Land Use Science |
Abbreviated Journal |
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Volume |
18 |
Issue |
1 |
Pages |
25-38 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
Owing to growing uncontrolled land-use change and urban expansion, farmers in urban fringes are struggling to sustain their livelihood. Farmers have been expressing their dissatisfaction at different times. This study analyzes the stakeholders' perspectives on the causes and outcomes of farmers' resistance to land-use change and urban expansion processes by zooming in on Bahir Dar, Ethiopia. The paper is based on focus group discussions with farmers in the neighboring villages, local agricultural extension experts, and, subsequently, key informant interviews of local government officials. Juxtaposing farmers' and local experts' positions reveals that inadequate compensations during land expropriation, lack of good governance in the urban expansion process, and inaccessibility of infrastructures are primary reasons for the farmers' struggle against urban expansion in the urban fringes. This study provides insights into the consequences of unplanned urban development challenges and may inform research and policymaking on sustainable urban development in the area and beyond. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000936397600001 |
Publication Date |
2023-02-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1747-423x; 1747-4248 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.2 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.2; 2023 IF: NA |
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Call Number |
UA @ admin @ c:irua:195109 |
Serial |
7368 |
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Permanent link to this record |
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Author |
Zhou, S.; Xu, W.; Xiao, Y.; Xiao, H.; Zhang, J.; Wang, Z.; He, G.; Liu, J.; Li, Y.; Peeters, F.M. |
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Title |
Influence of neutron irradiation on X-ray diffraction, Raman spectrum and photoluminescence from pyrolytic and hot-pressed hexagonal boron nitride |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Journal of luminescence |
Abbreviated Journal |
|
|
|
Volume |
263 |
Issue |
|
Pages |
120118-8 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Hexagonal boron nitride (hBN) is considered as an ideal semiconductor material for solid-state neutron detector, owing to its large neutron scattering section because of the low atomic number of B and excellent physical properties. Here we study the influence of neutron irradiation on crystal structure and on intermediate energy state (IMES) levels induced by the presence of impurities and defects in hBN. Large-size and thick pyrolytic and hot-pressed hBN (PBN and HBN) samples, which can be directly applied for neutron detector devices, are prepared and bombarded by neutrons with different irradiation fluences. The SEM and TEM are used to observe the sample difference of PBN and HBN. X-ray diffraction and Raman spectroscopy are applied to examine the influence of neutron irradiation on lattice structures along different crystal directions of PBN and HBN samples. Photoluminescence (PL) is employed to study the effect of neutron irradiation on IMESs in these samples. We find that the neutron irradiation does not alter the in-plane lattice structures of both PBN and HBN samples, but it can release the inter-layer tensions induced by sample growth of the PBN samples. Interestingly and surprisingly, the neutron irradiation does not affect the IMES levels responsible for PL generation, where PL is attributed mainly from phonon-assisted radiative electron-hole coupling for both PBN and HBN samples. Furthermore, the results indicate that the neutron irradiation can weaken the effective carrier-phonon coupling and exciton transitions in PBN and HBN samples. Overall, both PBN and HBN samples show some degree of the resistance to neutron irradiation in terms of these basic physical properties. The interesting and important findings from this work can help us to gain an in-depth understanding of the influence of neutron irradiation on basic physical properties of hBN materials. These effects can be taken into account when designing and applying the hBN materials for neutron detectors. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001077086300001 |
Publication Date |
2023-08-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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|
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ISSN |
0022-2313 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:200393 |
Serial |
9047 |
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Permanent link to this record |
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Author |
Souza, J.C.B.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A. |
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Title |
Soliton motion induced along ferromagnetic skyrmion chains in chiral thin nanotracks |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
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|
|
Volume |
587 |
Issue |
|
Pages |
171280-171289 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using atomistic magnetic simulations we investigate the soliton motion along a pinned skyrmion chain containing an interstitial skyrmion. We find that the soliton can exhibit stable motion along the chain without a skyrmion Hall effect for an extended range of drives. Under a constant drive the solitons have a constant velocity. We also measure the skyrmion velocity-current curves and identify the signatures of different phases including a pinned phase, stable soliton motion, and quasi-free motion at higher drives where all of the skyrmions depin from the pinning centers and move along the rigid wall. In the quasi-free motion regime, the velocity is oscillatory due to the motion of the skyrmions over the pinning sites. For increasing pinning strength, the onset of soliton motion shifts to higher values of current density. We also find that for stronger pinning, the characteristic velocity-current shape is affected by the annihilation of single or multiple skyrmions in the drive interval over which the soliton motion occurs. Our results indicate that stable skyrmion soliton motion is possible and that the solitons could be used as information carriers instead of the skyrmions themselves for technological applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001086712600001 |
Publication Date |
2023-09-21 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
0304-8853 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:201139 |
Serial |
9095 |
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Permanent link to this record |
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Author |
Watson, G.; Kummamuru, N.B.; Verbruggen, S.W.; Perreault, P.; Houlleberghs, M.; Martens, J.; Breynaert, E.; Van Der Voort, P. |
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Title |
Engineering of hollow periodic mesoporous organosilica nanorods for augmented hydrogen clathrate formation |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
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|
|
Volume |
11 |
Issue |
47 |
Pages |
26265-26276 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Hydrogen (H2) storage, in the form of clathrate hydrates, has emerged as an attractive alternative to classical storage methods like compression or liquefaction. Nevertheless, the sluggish enclathration kinetics along with low gas storage capacities in bulk systems is currently impeding the progress of this technology. To this end, unstirred systems coupled with porous materials have been shown to tackle the aforementioned drawbacks. In line with this approach, the present study explores the use of hydrophobic periodic organosilica nanoparticles, later denoted as hollow ring-PMO (HRPMO), for H2 storage as clathrate hydrates under mild operating conditions (5.56 mol% THF, 7 MPa, and 265–273 K). The surface of the HRPMO nanoparticles was carefully decorated/functionalized with THF-like moieties, which are well-known promoter agents in clathrate formation when applied in classical, homogeneous systems. The study showed that, while the non-functionalized HRPMO can facilitate the formation of binary H2-THF clathrates, the incorporation of surface-bound promotor structures enhances this process. More intriguingly, tuning the concentration of these surface-bound promotor agents on the HRPMO led to a notable effect on solid-state H2 storage capacities. An increase of 3% in H2 storage capacity, equivalent to 0.26 wt%, along with a substantial increase of up to 28% in clathrate growth kinetics, was observed when an optimal loading of 0.14 mmol g−1 of promoter agent was integrated into the HRPMO framework. Overall, the findings from this study highlight that such tuning effects in the solid-state have the potential to significantly boost hydrate formation/growth kinetics and H2 storage capacities, thereby opening new avenues for the ongoing development of H2 clathrates in industrial applications. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001108752600001 |
Publication Date |
2023-11-24 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:201007 |
Serial |
9031 |
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Permanent link to this record |
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Author |
Pandey, T.; Peeters, F.M.; Milošević, M.V. |
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Title |
High thermoelectric figure of merit in p-type Mg₃Si₂Te₆: role of multi-valley bands and high anharmonicity |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
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Volume |
11 |
Issue |
33 |
Pages |
11185-11194 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Silicon-based materials are attractive for thermoelectric applications due to their thermal stability, chemical inertness, and natural abundance of silicon. Here, using a combination of first-principles and Boltzmann transport calculations we report the thermoelectric properties of the recently synthesized compound Mg3Si2Te6. Our analysis reveals that Mg3Si2Te6 is a direct bandgap semiconductor with a bandgap of 1.6 eV. The combination of heavy and light valence bands, along with a high valley degeneracy, results in a large power factor under p-type doping. We also find that Mg is weakly bonded both within and between the layers, leading to low phonon group velocities. The vibrations of the Mg atoms are localized and make a significant contribution to phonon-phonon scattering. This high anharmonicity, coupled with low phonon group velocity, results in a low lattice thermal conductivity of & kappa;(l) = 0.5 W m(-1) K-1 at room temperature, along the cross-plane direction. Combining excellent electronic transport properties and low & kappa;(l), p-type Mg3Si2Te6 achieves figure-of-merit (zT) values greater than 1 at temperatures above 600 K. Specifically, a zT of 2.0 is found at 900 K along the cross-plane direction. Our findings highlight the importance of structural complexity and chemical bonding in electronic and phonon transport, providing guiding insights for further design of Si-based thermoelectrics. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001041124900001 |
Publication Date |
2023-07-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.4 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.4; 2023 IF: 5.256 |
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Call Number |
UA @ admin @ c:irua:198296 |
Serial |
8821 |
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Permanent link to this record |
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Author |
Wittner, N.; Gergely, S.; Slezsák, J.; Broos, W.; Vlaeminck, S.E.; Cornet, I. |
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Title |
Follow-up of solid-state fungal wood pretreatment by a novel near-infrared spectroscopy-based lignin calibration model |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of microbiological methods |
Abbreviated Journal |
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Volume |
208 |
Issue |
|
Pages |
106725-106727 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE) |
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Abstract |
Lignin removal plays a crucial role in the efficient bioconversion of lignocellulose to fermentable sugars. As a delignification process, fungal pretreatment has gained great interest due to its environmental friendliness and low energy consumption. In our previous study, a positive linear correlation between acid-insoluble lignin degradation and the achievable enzymatic saccharification yield has been found, hereby highlighting the importance of the close follow-up of lignin degradation during the solid-state fungal pretreatment process. However, the standard quantification of lignin, which relies on the two-step acid hydrolysis of the biomass, is highly laborious and time-consuming. Vibrational spectroscopy has been proven as a fast and easy alternative; however, it has not been extensively researched on lignocellulose subjected to solid-state fungal pretreatment. Therefore, the present study examined the suitability of near-infrared spectroscopy (NIR) for the rapid and easy assessment of lignin content in poplar wood pretreated with Phanerochaete chrysosporium. Furthermore, the predictive power of the obtained calibration model and the recently published ATR-FTIR spectroscopy-based model were compared for the first time using the same fungus-treated wood data set. PLSR was used to correlate the NIR spectra to the acid-insoluble lignin contents (19.9%-27.1%) of pretreated wood. After normalization and second derivation, a PLSR model with a good coefficient of determination (RCV2 = 0.89) and a low root mean square error (RMSECV = 0.55%) were obtained despite the heterogeneous nature of the fungal solid-state fermentation. The performance of this PLSR model was comparably good to the one obtained by ATR-FTIR (RCV2 = 0.87) while it required more extensive spectral pre-processing. In conclusion, both methods will be highly useful for the high-throughput and user-friendly monitoring of lignin degradation in a solid-state fungal pretreatment-based biorefinery concept. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000983287400001 |
Publication Date |
2023-04-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0167-7012 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:195814 |
Serial |
9038 |
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Permanent link to this record |
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Author |
Bian, G.; Ageeva, O.; Roddatis, V.; Li, C.; Pennycook, T.J.; Habler, G.; Abart, R. |
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Title |
Crystal structure controls on oriented primary magnetite micro-inclusions in plagioclase From oceanic gabbro |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of petrology |
Abbreviated Journal |
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Volume |
64 |
Issue |
3 |
Pages |
egad008-18 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Oriented needle-, lath- and plate-shaped magnetite micro-inclusions in rock forming plagioclase from mafic intrusive rocks, were investigated using correlated optical microscopy and scanning transmission electron microscopy. The magnetite micro-inclusions were analysed on cuts parallel and perpendicular to the inclusion-elongation directions. The crystal structures of the two phases are in direct contact along the interfaces. The shape, shape orientation and crystallographic orientation relationships between the magnetite micro-inclusions and the plagioclase host appear to be controlled by the tendency of the system to optimise lattice match along the interfaces. The elongation direction of the inclusions ensures good match between prominent oxygen layers in the magnetite and plagioclase crystal structures across the interfaces bounding the inclusions parallel to their elongation direction. In cross-section, additional modes of lattice match, such as the commensurate impingement of magnetite and plagioclase lattice planes along the interfaces, the parallel alignment of the interfaces to low-index lattice planes of magnetite or plagioclase, or the parallel alignment to low index lattice planes of both phases are observed, which appear to control the selection of interface facets, as well as the shape and crystallographic orientation relationships between magnetite micro-inclusions and plagioclase host. The systematics of the inclusion cross-sectional shapes and crystallographic orientation relationships indicate recrystallisation of magnetite with potential implications for natural remanent magnetisation of magnetite-bearing plagioclase grains. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001010636400007 |
Publication Date |
2023-01-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0022-3530 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.9 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.9; 2023 IF: 3.28 |
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Call Number |
UA @ admin @ c:irua:195160 |
Serial |
7292 |
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Permanent link to this record |
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Author |
Duden, E.I.; Savaci, U.; Turan, S.; Sevik, C.; Demiroglu, I. |
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Title |
Intercalation of argon in honeycomb structures towards promising strategy for rechargeable Li-ion batteries |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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Volume |
35 |
Issue |
8 |
Pages |
085301-85311 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
High-performance rechargeable batteries are becoming very important for high-end technologies with their ever increasing application areas. Hence, improving the performance of such batteries has become the main bottleneck to transferring high-end technologies to end users. In this study, we propose an argon intercalation strategy to enhance battery performance via engineering the interlayer spacing of honeycomb structures such as graphite, a common electrode material in lithium-ion batteries (LIBs). Herein, we systematically investigated the LIB performance of graphite and hexagonal boron nitride (h-BN) when argon atoms were sent into between their layers by using first-principles density-functional-theory calculations. Our results showed enhanced lithium binding for graphite and h-BN structures when argon atoms were intercalated. The increased interlayer space doubles the gravimetric lithium capacity for graphite, while the volumetric capacity also increased by around 20% even though the volume was also increased. The ab initio molecular dynamics simulations indicate the thermal stability of such graphite structures against any structural transformation and Li release. The nudged-elastic-band calculations showed that the migration energy barriers were drastically lowered, which promises fast charging capability for batteries containing graphite electrodes. Although a similar level of battery promise was not achieved for h-BN material, its enhanced battery capabilities by argon intercalation also support that the argon intercalation strategy can be a viable route to enhance such honeycomb battery electrodes. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000899825400001 |
Publication Date |
2022-12-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:193399 |
Serial |
7313 |
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Permanent link to this record |
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Author |
Souza, J.C.B.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A. |
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Title |
Magnus induced diode effect for skyrmions in channels with periodic potentials |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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Volume |
35 |
Issue |
1 |
Pages |
015804-15810 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using a particle based model, we investigate the skyrmion dynamical behavior in a channel where the upper wall contains divots of one depth and the lower wall contains divots of a different depth. Under an applied driving force, skyrmions in the channels move with a finite skyrmion Hall angle that deflects them toward the upper wall for -x direction driving and the lower wall for +x direction driving. When the upper divots have zero height, the skyrmions are deflected against the flat upper wall for -x direction driving and the skyrmion velocity depends linearly on the drive. For +x direction driving, the skyrmions are pushed against the lower divots and become trapped, giving reduced velocities and a nonlinear velocity-force response. When there are shallow divots on the upper wall and deep divots on the lower wall, skyrmions get trapped for both driving directions; however, due to the divot depth difference, skyrmions move more easily under -x direction driving, and become strongly trapped for +x direction driving. The preferred -x direction motion produces what we call a Magnus diode effect since it vanishes in the limit of zero Magnus force, unlike the diode effects observed for asymmetric sawtooth potentials. We show that the transport curves can exhibit a series of jumps or dips, negative differential conductivity, and reentrant pinning due to collective trapping events. We also discuss how our results relate to recent continuum modeling on a similar skyrmion diode system. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000880827900001 |
Publication Date |
2022-10-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:192031 |
Serial |
7320 |
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Permanent link to this record |
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Author |
Bekaert, J.; Bringmans, L.; Milošević, M.V. |
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Title |
Ginzburg-Landau surface energy of multiband superconductors : derivation and application to selected systems |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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Volume |
35 |
Issue |
32 |
Pages |
325602-325610 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We determine the energy of an interface between a multiband superconducting and a normal half-space, in presence of an applied magnetic field, based on a multiband Ginzburg-Landau (GL) approach. We obtain that the multiband surface energy is fully determined by the critical temperature, electronic densities of states, and superconducting gap functions associated with the different band condensates. This furthermore yields an expression for the thermodynamic critical magnetic field, in presence of an arbitrary number of contributing bands. Subsequently, we investigate the sign of the surface energy as a function of material parameters, through numerical solution of the GL equations. Here, we consider two distinct cases: (i) standard multiband superconductors with attractive interactions, and (ii) a three-band superconductor with a chiral ground state with phase frustration, arising from repulsive interband interactions. Furthermore, we apply this approach to several prime examples of multiband superconductors, such as metallic hydrogen and MgB2, based on microscopic parameters obtained from first-principles calculations. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000986281900001 |
Publication Date |
2023-05-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.7 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:196664 |
Serial |
8875 |
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Permanent link to this record |
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Author |
Wang, S.; Tian, H.; Sun, M. |
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Title |
Valley-polarized and enhanced transmission in graphene with a smooth strain profile |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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Volume |
35 |
Issue |
30 |
Pages |
304002-304013 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We explore the influence of strain on the valley-polarized transmission of graphene by employing the wave-function matching and the non-equilibrium Green's function technique. When the transmission is along the armchair direction, we show that the valley polarization and transmission can be improved by increasing the width of the strained region and increasing (decreasing) the extensional strain in the armchair (zigzag) direction. It is noted that the shear strain does not affect transmission and valley polarization. Furthermore, when we consider the smooth strain barrier, the valley-polarized transmission can be enhanced by increasing the smoothness of the strain barrier. We hope that our finding can shed new light on constructing graphene-based valleytronic and quantum computing devices by solely employing strain. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000977124700001 |
Publication Date |
2023-04-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.7 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:196718 |
Serial |
8953 |
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Permanent link to this record |
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Author |
Zhang, C.; Ren, K.; Wang, S.; Luo, Y.; Tang, W.; Sun, M. |
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Title |
Recent progress on two-dimensional van der Waals heterostructures for photocatalytic water splitting : a selective review |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
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|
|
Volume |
56 |
Issue |
48 |
Pages |
483001-483024 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
Hydrogen production through photocatalytic water splitting is being developed swiftly to address the ongoing energy crisis. Over the past decade, with the rise of graphene and other two-dimensional (2D) materials, an increasing number of computational and experimental studies have focused on relevant van der Waals (vdW) semiconductor heterostructures for photocatalytic water splitting. In this review, the fundamental mechanism and distinctive performance of type-II and Z-scheme vdW heterostructure photocatalysts are presented. Accordingly, we have conducted a systematic review of recent studies focusing on candidates for photocatalysts, specifically vdW heterostructures involving 2D transition metal disulfides (TMDs), 2D Janus TMDs, and phosphorenes. The photocatalytic performance of these heterostructures and their suitability in theoretical scenarios are discussed based on their electronic and optoelectronic properties, particularly in terms of band structures, photoexcited carrier dynamics, and light absorption. In addition, various approaches for tuning the performance of these potential photocatalysts are illustrated. This strategic framework for constructing and modulating 2D heterostructure photocatalysts is expected to provide inspiration for addressing possible challenges in future studies. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001076327300001 |
Publication Date |
2023-08-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
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Open Access |
|
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|
Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:200353 |
Serial |
9081 |
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Permanent link to this record |
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Author |
Dinger, J.; Friedrich, T.; Reimann, T.; Toepfer, J. |
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Title |
NiMn₂O₄ revisited : temperature-dependent cation distribution from in situ neutron diffraction and thermopower studies |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Journal of the American Ceramic Society |
Abbreviated Journal |
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|
|
Volume |
106 |
Issue |
3 |
Pages |
1834-1847 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The cation distribution of the negative temperature coefficient (NTC) thermistor spinel NiMn2O4 was studied in the temperature range from 55 to 900 degrees C, using a combined in situ neutron diffraction and thermopower study. Rietveld refinements of in situ neutron diffraction data reveal a temperature dependence of the degree of inversion with an inversion parameter of 0.70(1) at 900 degrees C and 0.87(1) at 55 degrees C. Thermopower measurements were evaluated using a modified Heikes formula, and the [Mn4+]/[Mn3+] ratio on octahedral sites of the spinel structure was calculated considering spin and orbital degeneracy. The inversion degree and disproportionation parameter, determined independently as function of temperature, were used to calculate the cation distribution of NiMn2O4 in the whole temperature range. At high temperature, within the stability range of the spinel, the cation distribution is characterized by a moderate degree of inversion with a concentration of NiB2+${\mathrm{Ni}}\mathrm{B}< |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000880360600001 |
Publication Date |
2022-10-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
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ISSN |
0002-7820 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.9 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.9; 2023 IF: 2.841 |
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Call Number |
UA @ admin @ c:irua:192087 |
Serial |
7326 |
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Permanent link to this record |
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Author |
Broers, F.T.H.; Janssens, K.; Weker, J.N.; Webb, S.M.; Mehta, A.; Meirer, F.; Keune, K. |
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Title |
Two pathways for the degradation of orpiment pigment (As₂S₃) found in paintings |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
|
|
|
Volume |
145 |
Issue |
16 |
Pages |
8847-8859 |
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Keywords |
A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
Paintings are complex objects containing many different chemical compounds that can react over time. The degradation of arsenic sulfide pigments causes optical changes in paintings. The main degradation product was thought to be white arsenolite (As2O3), but previous research also showed the abundant presence of As(V) species. In this study, we investigate the influence of the presence of a medium on the degradation mechanism of orpiment (As2S3) using synchrotron radiation (SR)-based tomographic transmission X-ray microscopy, SR-based micro-X-ray fluorescence, and Xray absorption near edge structure spectroscopy. Upon direct illumination of dry orpiment powder using UV-visible light, only the formation of As2O3 was observed. When As2S3 was surrounded by a medium and illuminated, As2O3 was only observed in the area directly exposed to light, while As(V) degradation species were found elsewhere in the medium. Without accelerated artificial light aging, As(V)(aq) species are formed and migrate throughout the medium within weeks after preparation. In both scenarios, the As(V) species form via intermediate As(III)(aq) species and the presence of a medium is necessary. As(V)(aq) species can react with available cations to form insoluble metal arsenates, which induces stress within the paint layers (leading to, e.g., cracks and delamination) or can lead to a visual change of the image of the painting. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000974346900001 |
Publication Date |
2023-04-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
0002-7863 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
15 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 15; 2023 IF: 13.858 |
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Call Number |
UA @ admin @ c:irua:196762 |
Serial |
8948 |
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Permanent link to this record |
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Author |
Singh, A.; Yuan, B.; Rahman, M.H.; Yang, H.; De, A.; Park, J.Y.; Zhang, S.; Huang, L.; Mannodi-Kanakkithodi, A.; Pennycook, T.J.; Dou, L. |
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Title |
Two-dimensional halide Pb-perovskite-double perovskite epitaxial heterostructures |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
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|
Volume |
145 |
Issue |
36 |
Pages |
19885-19893 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Epitaxial heterostructures of two-dimensional (2D) halide perovskites offer a new platform for studying intriguing structural, optical, and electronic properties. However, difficulties with the stability of Pb- and Sn-based heterostructures have repeatedly slowed the progress. Recently, Pb-free halide double perovskites are gaining a lot of attention due to their superior stability and greater chemical diversity, but they have not been successfully incorporated into epitaxial heterostructures for further investigation. Here, we report epitaxial core-shell heterostructures via growing Pb-free double perovskites (involving combinations of Ag(I)-Bi(III), Ag-Sb, Ag-In, Na-Bi, Na-Sb, and Na-In) around Pb perovskite 2D crystals. Distinct from Pb-Pb and Pb-Sn perovskite heterostructures, growths of the Pb-free shell at 45 degrees on the (100) surface of the lead perovskite core are observed in all Pb-free cases. The in-depth structural analysis carried out with electron diffraction unequivocally demonstrates the growth of the Pb-free shell along the [110] direction of the Pb perovskite, which is likely due to the relatively lower surface energy of the (110) surface. Furthermore, an investigation of anionic interdiffusion across heterostructure interfaces under the influence of heat was carried out. Interestingly, halide anion diffusion in the Pb-free 2D perovskites is found to be significantly suppressed as compared to Pb-based 2D perovskites. The great structural tunability and excellent stability of Pb-free perovskite heterostructures may find uses in electronic and optoelectronic devices in the near future. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001060980300001 |
Publication Date |
2023-08-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
0002-7863 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:200342 |
Serial |
9111 |
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Permanent link to this record |
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Author |
Calogiuri, T.; Hagens, M.; Van Groenigen, J.W.; Corbett, T.; Hartmann, J.; Hendriksen, R.; Janssens, I.; Janssens, I.A.; Ledesma Dominguez, G.; Loescher, G.; Mortier, S.; Neubeck, A.; Niron, H.; Poetra, R.P.; Rieder, L.; Struyf, E.; Van Tendeloo, M.; De Schepper, T.; Verdonck, T.; Vlaeminck, S.E.; Vicca, S.; Vidal, A. |
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Title |
Design and construction of an experimental setup to enhance mineral weathering through the activity of soil organisms |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of visualized experiments |
Abbreviated Journal |
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Volume |
|
Issue |
201 |
Pages |
e65563-30 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Internet Data Lab (IDLab); Applied mathematics; Sustainable Energy, Air and Water Technology (DuEL); Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
Enhanced weathering (EW) is an emerging carbon dioxide (CO2) removal technology that can contribute to climate change mitigation. This technology relies on accelerating the natural process of mineral weathering in soils by manipulating the abiotic variables that govern this process, in particular mineral grain size and exposure to acids dissolved in water. EW mainly aims at reducing atmospheric CO2 concentrations by enhancing inorganic carbon sequestration. Until now, knowledge of EW has been mainly gained through experiments that focused on the abiotic variables known for stimulating mineral weathering, thereby neglecting the potential influence of biotic components. While bacteria, fungi, and earthworms are known to increase mineral weathering rates, the use of soil organisms in the context of EW remains underexplored. This protocol describes the design and construction of an experimental setup developed to enhance mineral weathering rates through soil organisms while concurrently controlling abiotic conditions. The setup is designed to maximize weathering rates while maintaining soil organisms' activity. It consists of a large number of columns filled with rock powder and organic material, located in a climate chamber and with water applied via a downflow irrigation system. Columns are placed above a fridge containing jerrycans to collect the leachate. Representative results demonstrate that this setup is suitable to ensure the activity of soil organisms and quantify their effect on inorganic carbon sequestration. Challenges remain in minimizing leachate losses, ensuring homogeneous ventilation through the climate chamber, and avoiding flooding of the columns. With this setup, an innovative and promising approach is proposed to enhance mineral weathering rates through the activity of soil biota and disentangle the effect of biotic and abiotic factors as drivers of EW. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001127854400015 |
Publication Date |
2023-11-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
1940-087x |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:200770 |
Serial |
9019 |
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Permanent link to this record |
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Author |
Xie, Y.; Van Tendeloo, M.; Zhu, W.; Peng, L.; Vlaeminck, S.E. |
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Title |
Autotrophic nitrogen polishing of secondary effluents : Alkaline pH and residual nitrate control S0-driven denitratation for downstream anammox treatment |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of Water Process Engineering |
Abbreviated Journal |
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Volume |
56 |
Issue |
|
Pages |
104402-104409 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Energy-lean nitrogen removal technologies, such as partial nitritation/anammox, often encounter effluent issues due to elevated nitrate and ammonium levels. This study proposed a novel autotrophic polishing strategy coupling sulfur-driven denitratation with anammox. To explore the denitratation potential in obtaining stable and sufficient nitrite accumulation, the effects of pH, residual nitrate level, and biomass-specific nitrate loading rate (BSNLR) were investigated in an S0-packed bed reactor at low hydraulic retention time (i.e., 0.2 h). Implementing pH and residual nitrate control strategies would be easier in practice than BSNLR control to polish secondary effluent. Alkaline pH values could realize successful nitrite accumulation without residual nitrate, and further intensify the accumulation under increased residual nitrate levels. The nitrate level was positively correlated with the nitrite accumulation efficiency. At pH 8.5 and nitrate concentration of 1.0 ± 0.8 mg N L−1, sulfur-driven denitratation could successfully maintain nitrite accumulation of 6.4 ± 1.0 mg NO2−-N L−1, ideally for the downstream anammox in case of residual ammonium levels of around 5 mg N L−1. Since Thiobacillus members play a key role in managing nitrite accumulation, their abundance should be guaranteed in the practical application. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001103341400001 |
Publication Date |
2023-10-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
2214-7144 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
7 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 18.04.2024 |
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Notes |
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Approved |
Most recent IF: 7; 2023 IF: NA |
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Call Number |
UA @ admin @ c:irua:200036 |
Serial |
8835 |
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Permanent link to this record |
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Author |
Detamornrat, U.; Parrilla, M.; Domínguez-Robles, J.; Anjani, Q.K.; Larrañeta, E.; De Wael, K.; Donnelly, R.F. |
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Title |
Transdermal on-demand drug delivery based on an iontophoretic hollow microneedle array system |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Lab on a chip |
Abbreviated Journal |
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|
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Volume |
23 |
Issue |
9 |
Pages |
2304-2315 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Transdermal drug delivery has emerged as an alternative administration route for therapeutic drugs, overcoming current issues in oral and parenteral administration. However, this technology is hindered by the low permeability of the stratum corneum of the skin. In this work, we develop a synergic combination of two enhancing technologies to contribute to an improved and on-demand drug delivery through an iontophoretic system coupled with hollow microneedles (HMNs). For the first time, a polymeric HMN array coupled with integrated iontophoresis for the delivery of charged molecules and macromolecules (e.g. proteins) is devised. To prove the concept, methylene blue, fluorescein sodium, lidocaine hydrochloride, and bovine serum albumin-fluorescein isothiocyanate conjugate (BSA-FITC) were first tested in an in vitro setup using 1.5% agarose gel model. Subsequently, the ex vivo drug permeation study using a Franz diffusion cell was conducted, exhibiting a 61-fold, 43-fold, 54-fold, and 17-fold increment of the permeation of methylene blue, fluorescein sodium, lidocaine hydrochloride, and BSA-FITC, respectively, during the application of 1 mA cm(-2) current for 6 h. Moreover, the total amount of drug delivered (i.e. in the skin and receptor compartment) was analysed to untangle the different delivery profiles according to the types of molecule. Finally, the integration of the anode and cathode into an iontophoretic hollow microneedle array system (IHMAS) offers the full miniaturisation of the concept. Overall, the IHMAS device provides a versatile wearable technology for transdermal on-demand drug delivery that can improve the administration of personalised doses, and potentially enhance precision medicine. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000971513000001 |
Publication Date |
2023-04-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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ISSN |
1473-0197 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.1 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 6.1; 2023 IF: 6.045 |
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Call Number |
UA @ admin @ c:irua:195781 |
Serial |
8946 |
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Permanent link to this record |
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Author |
Voordeckers, D.; Lauriks, T.; Baetens, D.; Ysebaert, T.; Denys, S.; Billen, P.; Tytgat, T.; Van Acker, M. |
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Title |
Numerical study on the impact of traffic lane adjustments and low boundary walls on pedestrian exposure to NO2 in street canyons |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Landscape and urban planning |
Abbreviated Journal |
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Volume |
243 |
Issue |
|
Pages |
104974-13 |
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Keywords |
A1 Journal article; Economics; Law; Engineering sciences. Technology; Art; Sustainable Energy, Air and Water Technology (DuEL); Research Group for Urban Development; Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS); Research Group for Urban Development; Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
Mitigating the adverse effects of air pollution, especially on human health, is one of the greater contemporary challenges for cities. Street canyons have herein been identified as bottleneck areas in urbanized environments. Focusing on the necessity of fast-response interventions, strategies to control source-receptor pathways (e.g. implementing low boundary walls (LBWs)) are gaining interest. A potential strategy which is greatly overlooked is the adjustment (reduction or displacement) of traffic lanes in order to increase the distance between source (traffic) and recipient (pedestrians). Within our study, computation fluid dynamics (CFD) is used to simulate the impact of alternations to traffic lanes (whether or not combined with LBWs) on the pedestrian exposure to NO2 for a specific case-study (Belgie center dot lei, Antwerp) under two prevailing wind directions. The average differences in NO2 concentrations for the entire pedestrian area ranged between +1.0 % to-3.6 %. On specific locations, reduction up to-8.0 % were reached. In case of perpendicular winds, a lateral displacement of all traffic lanes towards the windward facade including LBWs was found most beneficial to reduce pedestrian exposure. LBWs also showed to be efficient in reducing potential adverse effects of lane displacement under less frequent wind directions. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001134403700001 |
Publication Date |
2023-12-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0169-2046 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:201400 |
Serial |
9065 |
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Permanent link to this record |
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Author |
Peeters, H.; Lenaerts, S.; Verbruggen, S.W. |
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Title |
Benchmarking the photocatalytic self-cleaning activity of industrial and experimental materials with ISO 27448:2009 |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Materials |
Abbreviated Journal |
Materials |
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Volume |
16 |
Issue |
3 |
Pages |
1119-13 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Various industrial surface materials are tested for their photocatalytic self-cleaning activity by performing the ISO 27448:2009 method. The samples are pre-activated by UV irradiation, fouled with oleic acid and irradiated by UV light. The degradation of oleic acid over time is monitored by taking water contact angle measurements using a contact angle goniometer. The foulant, oleic acid, is an organic acid that makes the surface more hydrophobic. The water contact angle will thus decrease over time as the photocatalytic material degrades the oleic acid. In this study, we argue that the use of this method is strongly limited to specific types of surface materials, i.e., only those that are hydrophilic and smooth in nature. For more hydrophobic materials, the difference in the water contact angles of a clean surface and a fouled surface is not measurable. Therefore, the photocatalytic self-cleaning activity cannot be established experimentally. Another type of material that cannot be tested by this standard are rough surfaces. For rough surfaces, the water contact angle cannot be measured accurately using a contact angle goniometer as prescribed by the standard. Because of these limitations, many potentially interesting industrial substrates cannot be evaluated. Smooth samples that were treated with an in-house developed hydrophilic titania thin film (PCT/EP2018/079983) showed a great photocatalytic self-cleaning performance according to the ISO standard. Apart from discussing the pros and cons of the current ISO standard, we also stress how to carefully interpret the results and suggest alternative testing solutions. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000930734100001 |
Publication Date |
2023-01-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1996-1944 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.4 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.4; 2023 IF: 2.654 |
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Call Number |
UA @ admin @ c:irua:193337 |
Serial |
7284 |
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Permanent link to this record |
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Author |
Gheysen, J.; Kashiwar, A.; Idrissi, H.; Villanova, J.; Simar, A. |
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Title |
Suppressing hydrogen blistering in a magnesium-rich healable laser powder bed fusion aluminum alloy analyzed by in-situ high resolution techniques |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Materials & design |
Abbreviated Journal |
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|
Volume |
231 |
Issue |
|
Pages |
112024-11 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Hydrogen blistering, i.e. precipitation of supersaturated hydrogen at elevated temperatures, increases porosity during heat treatments in 4xxx series Al alloys manufactured by laser powder bed fusion (LPBF), as demonstrated by 3D X-ray nano-imaging in AlSi12. This paper proposes the design of a healable Al alloy to suppress hydrogen blistering and improve the damage management. The strategy consists of solute atoms diffusing towards nano-voids and precipitating on their surface, thereby filling the damage sites. A new healable Al alloy was thus developed and successfully manufactured by LPBF. 3D X-ray nano-imaging evidenced that the addition of Mg in 4xxx series Al alloys suppresses the hydrogen blistering. This is expectedly due to Mg in solid solution which increases the hydrogen solubility in the Al matrix and due to the healing of these hydrogen pores. Moreover, a significant healing of voids smaller than 500 nm diameter is observed. In-situ heating inside transmission electron microscopy pointed out that Al matrix diffuses inside the fractured Mg2Si particles, thereby demonstrating the healing ability of the new alloy. This has opened the doors to development of new healable Al alloys manufactured by LPBF as well as to new post-treatments to tailor mechanical properties and microstructure without hydrogen blistering. |
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Wos |
001055174900001 |
Publication Date |
2023-05-20 |
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ISSN |
0264-1275; 1873-4197 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.4 |
Times cited |
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Open Access |
OpenAccess |
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Approved |
Most recent IF: 8.4; 2023 IF: 4.364 |
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Call Number |
UA @ admin @ c:irua:196536 |
Serial |
8939 |
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Author |
Scandura, G.; Eid, S.; Alnajjar, A.A.; Paul, T.; Karanikolos, G.N.; Shetty, D.; Omer, K.; Alqerem, R.; Juma, A.; Wang, H.; Arafat, H.A.; Dumee, L.F. |
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Title |
Photo-responsive metal-organic frameworks – design strategies and emerging applications in photocatalysis and adsorption |
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A1 Journal article |
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Year |
2023 |
Publication |
Materials Advances |
Abbreviated Journal |
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Volume |
4 |
Issue |
5 |
Pages |
1258-1285 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Stimuli-responsive metal-organic frameworks (MOFs) are highly versatile porous materials with the ability to respond to different external stimuli, including temperature, pressure, pH, and light. The MOF properties can switch reversibly under specific light irradiation, opening the doors to various applications. This review focuses on design strategies to obtain photo-responsive MOFs, namely (i) encapsulation of photo-switchable molecules as guests in MOF porous structures, (ii) fabrication of MOF composites, (iii) post-synthesis modification, and (iv) synthesis of MOFs with photo-responsive ligands. The most recent reports from the literature are herein reviewed and analyzed in terms of material chemistry and performance. Comparisons between the different strategies are performed and future challenges are discussed. The critical aspect of the fatigue of photo-responsive MOFs applied for prolonged cycling of irradiation is also discussed. |
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000938241000001 |
Publication Date |
2023-02-24 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
OpenAccess |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:199418 |
Serial |
8913 |
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Permanent link to this record |