| |
Records |
Links |
|
Author |
Liu, J.; Xu, W.; Xiao, Y.M.; Ding, L.; Li, H.W.; Peeters, F.M. |
|
| |
Title |
Optical spectrum of n-type and p-type monolayer MoS₂ in the presence of proximity-induced interactions |
Type |
A1 Journal article |
| |
Year  |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
|
|
| |
Volume |
134 |
Issue |
22 |
Pages |
224301-224307 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
In this paper, we examined the effects of proximity-induced interactions such as Rashba spin-orbit coupling and effective Zeeman fields (EZFs) on the optical spectrum of n-type and p-type monolayer (ML)-MoS2. The optical conductivity is evaluated using the standard Kubo formula under random-phase approximation by including the effective electron-electron interaction. It has been found that there exist two absorption peaks in n-type ML-MoS2 and two knife shaped absorptions in p-type ML-MoS2, which are contributed by the inter-subband spin-flip electronic transitions within conduction and valence bands at valleys K and K ' with a lifted valley degeneracy. The optical absorptions in n-type and p-type ML-MoS 2 occur in THz and infrared radiation regimes and the position, height, and shape of them can be effectively tuned by Rashba parameter, EZF parameters, and carrier density. The interesting theoretical predictions in this study would be helpful for the experimental observation of the optical absorption in infrared to THz bandwidths contributed by inter-subband spin-flip electronic transitions in a lifted valley degeneracy monolayer transition metal dichalcogenides system. The obtained results indicate that ML-MoS2 with the platform of proximity interactions make it a promising infrared and THz material for optics and optoelectronics. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001135684400003 |
Publication Date |
2023-12-11 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:202777 |
Serial |
9069 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Sargin, G.O.; Sarikurt, S.; Sevincli, H.; Sevik, C. |
|
| |
Title |
The peculiar potential of transition metal dichalcogenides for thermoelectric applications : a perspective on future computational research |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
|
|
| |
Volume |
133 |
Issue |
15 |
Pages |
150902-150937 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The peculiar potential transition metal dichalcogenides in regard to sensor and device applications have been exhibited by both experimental and theoretical studies. The use of these materials, thermodynamically stable even at elevated temperatures, particularly in nano- and optoelectronic technology, is about to come true. On the other hand, the distinct electronic and thermal transport properties possessing unique coherency, which may result in higher thermoelectric efficiency, have also been reported. However, exploiting this potential in terms of power generation and cooling applications requires a deeper understanding of these materials in this regard. This perspective study, concentrated with this intention, summarizes thermoelectric research based on transition metal dichalcogenides from a broad perspective and also provides a general evaluation of future theoretical investigations inevitable to shed more light on the physics of electronic and thermal transport in these materials and to lead future experimental research. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001079329000001 |
Publication Date |
2023-04-27 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:200351 |
Serial |
9105 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Mehmonov, K.; Ergasheva, A.; Yusupov, M.; Khalilov, U. |
|
| |
Title |
The role of carbon monoxide in the catalytic synthesis of endohedral carbyne |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
|
|
| |
Volume |
134 |
Issue |
14 |
Pages |
144303-144307 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001083993400003 |
Publication Date |
2023-10-10 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:201233 |
Serial |
9106 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Tchakoua, T.; Gerrits, N.; Smeets, E.W.F.; Kroes, G.-J. |
|
| |
Title |
SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of chemical theory and computation |
Abbreviated Journal |
|
|
| |
Volume |
19 |
Issue |
1 |
Pages |
245-270 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000903286100001 |
Publication Date |
2022-12-19 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1549-9618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.5 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 5.5; 2023 IF: 5.245 |
|
| |
Call Number |
UA @ admin @ c:irua:193426 |
Serial |
7274 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Sauve, G.; Esguerra, J.L.; Laner, D.; Johansson, J.; Svensson, N.; Van Passel, S.; Van Acker, K. |
|
| |
Title |
Integrated early-stage environmental and economic assessment of emerging technologies and its applicability to the case of plasma gasification |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of Cleaner Production |
Abbreviated Journal |
|
|
| |
Volume |
382 |
Issue |
|
Pages |
134684-14 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000906664200001 |
Publication Date |
2022-10-22 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
11.1 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 11.1; 2023 IF: 5.715 |
|
| |
Call Number |
UA @ admin @ c:irua:193464 |
Serial |
7361 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Buyle, M.; Audenaert, A.; Brusselaers, J.; Van Passel, S. |
|
| |
Title |
Rebound effects following technological advancement? The case of a global shock in ferrochrome supply |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of Cleaner Production |
Abbreviated Journal |
|
|
| |
Volume |
391 |
Issue |
|
Pages |
136264-11 |
|
| |
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Energy and Materials in Infrastructure and Buildings (EMIB) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
2023-01-30 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
11.1 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 11.1; 2023 IF: 5.715 |
|
| |
Call Number |
UA @ admin @ c:irua:193569 |
Serial |
7365 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Vingerhoets, R.; Spiller, M.; De Backer, J.; Adriaens, A.; Vlaeminck, S.E.; Meers, E. |
|
| |
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 |
| |
Year |
2023 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
|
|
| |
Volume |
410 |
Issue |
|
Pages |
137278-13 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000991013600001 |
Publication Date |
2023-04-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
11.1 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 11.1; 2023 IF: 5.715 |
|
| |
Call Number |
UA @ admin @ c:irua:196227 |
Serial |
7770 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Ivanov, V.; Paunska, T.; Lazarova, S.; Bogaerts, A.; Kolev, S. |
|
| |
Title |
Gliding arc/glow discharge for CO2 conversion: Comparing the performance of different discharge configurations |
Type |
A1 Journal Article;CO2 conversion |
| |
Year |
2023 |
Publication |
Journal of CO2 Utilization |
Abbreviated Journal |
|
|
| |
Volume |
67 |
Issue |
|
Pages |
102300 |
|
| |
Keywords |
A1 Journal Article;CO2 conversion; CO2 dissociation; Low current gliding arc; Magnetic stabilization; Magnetically stabilized discharge; Gliding glow discharge; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
|
| |
Abstract |
We studied the use of low current (hundreds of milliamperes) gliding arc/glow discharges for CO2 dissociation, at atmospheric pressure, in three different configurations. All of these are based on the gliding arc design with flat diverging electrodes. The discharge is mainly in the normal glow regime with contracted positive column. The CO2 gas is injected from a nozzle, at the closest separation between the electrodes. A pair of quartz glasses is placed on both sides of the electrodes, so that the gas flow is restricted to the active plasma area, between the electrodes. For two of the tested configurations, an external magnetic field was applied, to create a magnetic force, both in the direction of the gas flow, and opposite to the gas flow. In the first case, the arc is accelerated, shortening the period between ignition and extinction, while in the second case, it is stabilized (magneticallystabilized). We studied two quantities, namely the CO2 conversion and the energy efficiency of the conversion. Generally, the CO2 conversion decreases with increasing flow rate and increases with power. The energy efficiency increases with the flow rate, for all configurations. The magnetically-stabilized configuration is more stable and efficient at low gas flow rates, but has poor performance at high flow rates, while the non-stabilized configurations exhibit good conversion for a larger range of flow rates, but they are generally more unstable and less efficient. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000891249700001 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2212-9820 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.7 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
This work was supported by the Bulgarian National Science Fund, Ministry of Education and Science, research grant KP-06-OPR 04/4 from 14.12.2018 and by the European Regional Development Fund within the Operational Programme “Science and Education for Smart Growth 2014 – 2020″ under the Project CoE “National center of mechatronics and clean technologies” BG05M2OP001-1.001-0008. |
Approved |
Most recent IF: 7.7; 2023 IF: 4.292 |
|
| |
Call Number |
PLASMANT @ plasmant @c:irua:191816 |
Serial |
7117 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Verheyen, C.; van ’t Veer, K.; Snyders, R.; Bogaerts, A. |
|
| |
Title |
Atomic oxygen assisted CO2 conversion: A theoretical analysis |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of CO2 utilization |
Abbreviated Journal |
|
|
| |
Volume |
67 |
Issue |
|
Pages |
102347 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
With climate change still a pressing issue, there is a great need for carbon capture, utilisation and storage (CCUS)
methods. We propose a novel concept where CO2 conversion is accomplished by O2 splitting followed by the
addition of O atoms to CO2. The latter is studied here by means of kinetic modelling. In the first instance, we
study various CO2/O ratios, and we observe an optimal CO2 conversion of around 30–40% for 50% O addition.
Gas temperature also has a large influence, with a minimum temperature of around 1000 K to a maximum of
2000 K for optimal conversion. In the second instance, we study various CO2/O/O2 ratios, due to O2 being a
starting gas. Also here we define optimal regions for CO2 conversion, which reach maximum conversion for a
CO2 fraction of 50% and an O/O2 ratio bigger than 1. Those can be expanded by heating on one hand, for low
atomic oxygen availability, and by quenching after reaction on the other hand, for cases where the temperatures
are too high. Our model predictions can serve as a guideline for experimental research in this domain. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000908384000005 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2212-9820 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.7 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
This research was supported by FWO – PhD fellowship-aspirant, Grant 1184820N. We also want to thank Bj¨orn Loenders and Joachim Slaets. |
Approved |
Most recent IF: 7.7; 2023 IF: 4.292 |
|
| |
Call Number |
PLASMANT @ plasmant @c:irua:192321 |
Serial |
7231 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Vertongen, R.; Bogaerts, A. |
|
| |
Title |
How important is reactor design for CO2 conversion in warm plasmas? |
Type |
A1 Journal Article |
| |
Year |
2023 |
Publication |
Journal of CO2 Utilization |
Abbreviated Journal |
|
|
| |
Volume |
72 |
Issue |
|
Pages |
102510 |
|
| |
Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
|
| |
Abstract |
In this work, we evaluated several new electrode configurations for CO2 conversion in a gliding arc plasmatron
(GAP) reactor. Although the reactor design influences the performance, the best results give only slightly higher
CO2 conversion than the basic GAP reactor design, which indicates that this reactor may have reached its performance
limits. Moreover, we compared our results to those of four completely different plasma reactors, also
operating at atmospheric pressure and with contact between the plasma and the electrodes. Surprisingly, the
performance of all these warm plasmas is very similar (CO2 conversion around 10 % for an energy efficiency
around 30 %). In view of these apparent performance limits regarding the reactor design, we believe further
improvements should focus on other aspects, such as the post-plasma-region where the implementation of
nozzles or a carbon bed are promising. We summarize the performance of our GAP reactor by comparing the
energy efficiency and CO2 conversion for all different plasma reactors reported in literature. We can conclude
that the GAP is not the best plasma reactor, but its operation at atmospheric pressure makes it appealing for
industrial application. We believe that future efforts should focus on process design, techno-economic assessments
and large-scale demonstrations: these will be crucial to assess the real industrial potential of this warm
plasma technology |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001024970900001 |
Publication Date |
2023-06-16 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2212-9820 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.7 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant ID 110221N) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreements No 810182 – SCOPE ERC Synergy project and No. 101081162 — “PREPARE” ERC Proof of Concept project). We also thank I. Tsonev, P. Heirman, F. Girard-Sahun and G. Trenchev for the interesting discussions and practical help with the experiments, as well as J. Creel for his ideas on the inserted anode designs. |
Approved |
Most recent IF: 7.7; 2023 IF: 4.292 |
|
| |
Call Number |
PLASMANT @ plasmant @c:irua:197044 |
Serial |
8799 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Kelly, S.; Mercer, E.; De Meyer, R.; Ciocarlan, R.-G.; Bals, S.; Bogaerts, A. |
|
| |
Title |
Microwave plasma-based dry reforming of methane: Reaction performance and carbon formation |
Type |
A1 Journal Article |
| |
Year |
2023 |
Publication |
Journal of CO2 utilization |
Abbreviated Journal |
Journal of CO2 Utilization |
|
| |
Volume |
75 |
Issue |
|
Pages |
102564 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
e investigate atmospheric pressure microwave (MW) plasma (2.45 GHz) conversion in CO2 and CH4 mixtures (i.e., dry reforming of methane, DRM) focusing on reaction performance and carbon formation. Promising energy costs of ~2.8–3.0 eV/molecule or ~11.1–11.9 kJ/L are amongst the best performance to date considering the current state-of-the-art for plasma-based DRM for all types of plasma. The conversion is in the range of ~46–49% and ~55–67% for CO2 and CH4, respectively, producing primarily syngas (i.e., H2 and CO) with H2/CO ratios of ~0.6–1 at CH4 fractions ranging from 30% to 45%. Water is the largest byproduct with levels ranging ~7–14% in the exhaust. Carbon particles visibly impact the plasma at higher CH4 fractions (> 30%), where they become heated and incandescent. Particle luminosity increases with increasing CH4 fractions, with the plasma becoming unstable near a 1:1 mixture (i.e., > 45% CH4). Electron microscopy of the carbon material reveals an agglomerated morphology of pure carbon nanoparticles. The mean particle size is determined as ~20 nm, free of any metal contamination, consistent with the electrode-less MW design. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001065310000001 |
Publication Date |
2023-08-10 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2212-9820 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.7 |
Times cited |
6 |
Open Access |
OpenAccess |
|
| |
Notes |
We acknowledge financial support by a European Space Agency (ESA) Open Science Innovation Platform study (contract no. 4000137001/21/NL/GLC/ov), the European Marie Skłodowska-Curie Individual Fellowship ‘‘PENFIX’’ within Horizon 2020 (grant no. 838181), the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant no. 810182; SCOPE ERC Synergy project), the Excellence of Science FWOFNRS PLASyntH2 project (FWO grant no. G0I1822N and EOS no. 4000751) and the Methusalem project of the University of Antwerp |
Approved |
Most recent IF: 7.7; 2023 IF: 4.292 |
|
| |
Call Number |
PLASMANT @ plasmant @c:irua:198155 |
Serial |
8807 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Marchetti, A.; Beltran, V.; Storme, P.; Nuyts, G.; Van Der Meeren, L.; Skirtach, A.; Otten, E.; Debulpaep, M.; Watteeuw, L.; De Wael, K. |
|
| |
Title |
All that glitters is not gold : unraveling the material secrets behind the preservation of historical brass |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of cultural heritage |
Abbreviated Journal |
|
|
| |
Volume |
63 |
Issue |
|
Pages |
179-186 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Art; History; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001058894000001 |
Publication Date |
2023-08-14 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1296-2074 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
3.1 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 15.08.2024 |
|
| |
Notes |
|
Approved |
Most recent IF: 3.1; 2023 IF: 1.838 |
|
| |
Call Number |
UA @ admin @ c:irua:198113 |
Serial |
8830 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Loenders, B.; Michiels, R.; Bogaerts, A. |
|
| |
Title |
Is a catalyst always beneficial in plasma catalysis? Insights from the many physical and chemical interactions |
Type |
A1 Journal Article |
| |
Year |
2023 |
Publication |
Journal of Energy Chemistry |
Abbreviated Journal |
Journal of Energy Chemistry |
|
| |
Volume |
85 |
Issue |
|
Pages |
501-533 |
|
| |
Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
|
| |
Abstract |
Plasma-catalytic dry reforming of CH4 (DRM) is promising to convert the greenhouse gasses CH4 and CO2 into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock for the chemical industry. However, while many experiments have been dedicated to plasma-catalytic DRM, there is no consensus yet in literature on the optimal choice of catalyst for targeted products, because the underlying mechanisms are far from understood. Indeed, plasma catalysis is very complex, as it encompasses various chemical and physical interactions between plasma and catalyst, which depend on many parameters. This complexity hampers the comparison of experimental results from different studies, which, in our opinion, is an important bottleneck in the further development of this promising research field. Hence, in this perspective paper, we describe the important physical and chemical effects that should be accounted for when designing plasma-catalytic experiments in general, highlighting the need for standardized experimental setups, as well as careful documentation of packing properties and reaction conditions, to further advance this research field. On the other hand, many parameters also create many windows of opportunity for further optimizing plasma-catalytic systems. Finally, various experiments also reveal the lack of improvement in plasma catalysis compared to plasma-only, specifically for DRM, but the underlying mechanisms are unclear. Therefore, we present our newly developed coupled plasma-surface kinetics model for DRM, to provide more insight in the underlying reasons. Our model illustrates that transition metal catalysts can adversely affect plasmacatalytic DRM, if radicals dominate the plasma-catalyst interactions. Thus, we demonstrate that a good understanding of the plasma-catalyst interactions is crucial to avoiding conditions at which these interactions negatively affect the results, and we provide some recommendations for improvement. For instance, we believe that plasma-catalytic DRM may benefit more from higher reaction temperatures, at which vibrational excitation can enhance the surface reactions. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
2023-06-30 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2095-4956 |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
13.1 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
This research was supported by the FWO-SBO project PlasMa- CatDESIGN (FWO grant ID S001619N), the FWO fellowship of R. Michiels (FWO grant ID 1114921N), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. |
Approved |
Most recent IF: 13.1; 2023 IF: 2.594 |
|
| |
Call Number |
PLASMANT @ plasmant @c:irua:198159 |
Serial |
8806 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Wanten, B.; Vertongen, R.; De Meyer, R.; Bogaerts, A. |
|
| |
Title |
Plasma-based CO2 conversion: How to correctly analyze the performance? |
Type |
A1 journal article |
| |
Year |
2023 |
Publication |
Journal of Energy Chemistry |
Abbreviated Journal |
Journal of Energy Chemistry |
|
| |
Volume |
86 |
Issue |
|
Pages |
180-196 |
|
| |
Keywords |
A1 journal article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001070885000001 |
Publication Date |
2023-07-22 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2095-4956 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
13.1 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant ID 110221N), the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant agreement No 810182 – SCOPE ERC Synergy project), and the Methusalem funding of the University of Antwerp. We acknowledge the icons from the graphical abstract made by dDara, geotatah, Spashicons and Freepik on www.flaticon.com. We also thank Stein Maerivoet, Joachim Slaets, Elizabeth Mercer, Colín Ó’Modráin, Joran Van Turnhout, Pepijn Heirman, dr. Yury Gorbanev, dr. Fanny Girard-Sahun and dr. Sean Kelly for the interesting discussions and feedback. |
Approved |
Most recent IF: 13.1; 2023 IF: 2.594 |
|
| |
Call Number |
PLASMANT @ plasmant @c:irua:198709 |
Serial |
8816 |
|
| Permanent link to this record |
| |
|
| |
|
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. |
|
| |
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 |
| |
Year |
2023 |
Publication |
Journal of energy chemistry |
Abbreviated Journal |
|
|
| |
Volume |
86 |
Issue |
|
Pages |
318-342 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
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/). |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001083545900001 |
Publication Date |
2023-08-10 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2095-4956 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:200416 |
Serial |
9056 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
De Paepe, J.; Garcia Gragera, D.; Arnau Jimenez, C.; Rabaey, K.; Vlaeminck, S.E.; Gòdia, F. |
|
| |
Title |
Continuous cultivation of microalgae yields high nutrient recovery from nitrified urine with limited supplementation |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of environmental management |
Abbreviated Journal |
|
|
| |
Volume |
345 |
Issue |
|
Pages |
118500-118510 |
|
| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001052880800001 |
Publication Date |
2023-08-03 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0301-4797 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
8.7 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 03.02.2024 |
|
| |
Notes |
|
Approved |
Most recent IF: 8.7; 2023 IF: 4.01 |
|
| |
Call Number |
UA @ admin @ c:irua:199049 |
Serial |
8844 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Fitawok, M.B.; Derudder, B.; Minale, A.S.; Van Passel, S.; Adgo, E.; Nyssen, J. |
|
| |
Title |
Stakeholder perspectives on farmers' resistance towards urban land-use changes in Bahir Dar, Ethiopia |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of Land Use Science |
Abbreviated Journal |
|
|
| |
Volume |
18 |
Issue |
1 |
Pages |
25-38 |
|
| |
Keywords |
A1 Journal article; Engineering Management (ENM) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000936397600001 |
Publication Date |
2023-02-22 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1747-423x; 1747-4248 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
3.2 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 3.2; 2023 IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:195109 |
Serial |
7368 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Zhou, S.; Xu, W.; Xiao, Y.; Xiao, H.; Zhang, J.; Wang, Z.; He, G.; Liu, J.; Li, Y.; Peeters, F.M. |
|
| |
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 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001077086300001 |
Publication Date |
2023-08-09 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0022-2313 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:200393 |
Serial |
9047 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Souza, J.C.B.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A. |
|
| |
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 |
|
|
| |
Volume |
587 |
Issue |
|
Pages |
171280-171289 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001086712600001 |
Publication Date |
2023-09-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-8853 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:201139 |
Serial |
9095 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Watson, G.; Kummamuru, N.B.; Verbruggen, S.W.; Perreault, P.; Houlleberghs, M.; Martens, J.; Breynaert, E.; Van Der Voort, P. |
|
| |
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 |
|
|
| |
Volume |
11 |
Issue |
47 |
Pages |
26265-26276 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001108752600001 |
Publication Date |
2023-11-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:201007 |
Serial |
9031 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
de la Encarnación, C.; Jungwirth, F.; Vila-Liarte, D.; Renero-Lecuna, C.; Kavak, S.; Orue, I.; Wilhelm, C.; Bals, S.; Henriksen-Lacey, M.; Jimenez de Aberasturi, D.; Liz-Marzán, L.M. |
|
| |
Title |
Hybrid core–shell nanoparticles for cell-specific magnetic separation and photothermal heating |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of materials chemistry B : materials for biology and medicine |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Hyperthermia, as the process of heating a malignant site above 42 °C to trigger cell death, has emerged as an effective and selective cancer therapy strategy. Various modalities of hyperthermia have been proposed, among which magnetic and photothermal hyperthermia are known to benefit from the use of nanomaterials. In this context, we introduce herein a hybrid colloidal nanostructure comprising plasmonic gold nanorods (AuNRs) covered by a silica shell, onto which iron oxide nanoparticles (IONPs) are subsequently grown. The resulting hybrid nanostructures are responsive to both external magnetic fields and near-infrared irradiation. As a result, they can be applied for the targeted magnetic separation of selected cell populations – upon targeting by antibody functionalization – as well as for photothermal heating. Through this combined functionality, the therapeutic effect of photothermal heating can be enhanced. We demonstrate both the fabrication of the hybrid system and its application for targeted photothermal hyperthermia of human glioblastoma cells. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000968908400001 |
Publication Date |
2023-04-05 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2050-750X |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7 |
Times cited |
1 |
Open Access |
OpenAccess |
|
| |
Notes |
Ministerio de Ciencia e Innovación, PID2019-108854RA-I00 ; H2020 European Research Council, ERC AdG 787510, 4DBIOSERS ERC CoG 815128, REALNANO ; Fonds Wetenschappelijk Onderzoek, PhD research grant 1181122N ; |
Approved |
Most recent IF: 7; 2023 IF: 4.543 |
|
| |
Call Number |
EMAT @ emat @c:irua:195879 |
Serial |
7261 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Pandey, T.; Peeters, F.M.; Milošević, M.V. |
|
| |
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 |
|
|
| |
Volume |
11 |
Issue |
33 |
Pages |
11185-11194 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001041124900001 |
Publication Date |
2023-07-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
6.4 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: 6.4; 2023 IF: 5.256 |
|
| |
Call Number |
UA @ admin @ c:irua:198296 |
Serial |
8821 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Wittner, N.; Gergely, S.; Slezsák, J.; Broos, W.; Vlaeminck, S.E.; Cornet, I. |
|
| |
Title |
Follow-up of solid-state fungal wood pretreatment by a novel near-infrared spectroscopy-based lignin calibration model |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of microbiological methods |
Abbreviated Journal |
|
|
| |
Volume |
208 |
Issue |
|
Pages |
106725-106727 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000983287400001 |
Publication Date |
2023-04-13 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0167-7012 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:195814 |
Serial |
9038 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Skorikov, A.; Batenburg, K.J.; Bals, S. |
|
| |
Title |
Analysis of 3D elemental distribution in nanomaterials : towards higher throughput and dose efficiency |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of microscopy |
Abbreviated Journal |
|
|
| |
Volume |
289 |
Issue |
3 |
Pages |
157-163 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Many advanced nanomaterials rely on carefully designed morphology and elemental distribution to achieve their functionalities. Among the few experimental techniques that can directly visualise the 3D elemental distribution on the nanoscale are approaches based on electron tomography in combination with energy-dispersive X-ray spectroscopy (EDXS) and electron energy loss spectroscopy (EELS). Unfortunately, these highly informative methods are severely limited by the fundamentally low signal-to-noise ratio, which makes long experimental times and high electron irradiation doses necessary to obtain reliable 3D reconstructions. Addressing these limitations has been the major research question for the development of these techniques in recent years. This short review outlines the latest progress on the methods to reduce experimental time and electron irradiation dose requirements for 3D elemental distribution analysis and gives an outlook on the development of this field in the near future. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000910532600001 |
Publication Date |
2022-12-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0022-2720 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2 |
Times cited |
2 |
Open Access |
OpenAccess |
|
| |
Notes |
ERC Consolidator Grant, Grant/Award Number: 815128 |
Approved |
Most recent IF: 2; 2023 IF: 1.692 |
|
| |
Call Number |
UA @ admin @ c:irua:193428 |
Serial |
7281 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bliokh, K.Y.; Karimi, E.; Padgett, M.J.; Alonso, M.A.; Dennis, M.R.; Dudley, A.; Forbes, A.; Zahedpour, S.; Hancock, S.W.; Milchberg, H.M.; Rotter, S.; Nori, F.; Ozdemir, S.K.; Bender, N.; Cao, H.; Corkum, P.B.; Hernandez-Garcia, C.; Ren, H.; Kivshar, Y.; Silveirinha, M.G.; Engheta, N.; Rauschenbeutel, A.; Schneeweiss, P.; Volz, J.; Leykam, D.; Smirnova, D.A.; Rong, K.; Wang, B.; Hasman, E.; Picardi, M.F.; Zayats, A.V.; Rodriguez-Fortuno, F.J.; Yang, C.; Ren, J.; Khanikaev, A.B.; Alu, A.; Brasselet, E.; Shats, M.; Verbeeck, J.; Schattschneider, P.; Sarenac, D.; Cory, D.G.; Pushin, D.A.; Birk, M.; Gorlach, A.; Kaminer, I.; Cardano, F.; Marrucci, L.; Krenn, M.; Marquardt, F. |
|
| |
Title |
Roadmap on structured waves |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of optics |
Abbreviated Journal |
|
|
| |
Volume |
25 |
Issue |
10 |
Pages |
103001-103079 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Structured waves are ubiquitous for all areas of wave physics, both classical and quantum, where the wavefields are inhomogeneous and cannot be approximated by a single plane wave. Even the interference of two plane waves, or of a single inhomogeneous (evanescent) wave, provides a number of nontrivial phenomena and additional functionalities as compared to a single plane wave. Complex wavefields with inhomogeneities in the amplitude, phase, and polarization, including topological----- structures and singularities, underpin modern nanooptics and photonics, yet they are equally important, e.g. for quantum matter waves, acoustics, water waves, etc. Structured waves are crucial in optical and electron microscopy, wave propagation and scattering, imaging, communications, quantum optics, topological and non-Hermitian wave systems, quantum condensed-matter systems, optomechanics, plasmonics and metamaterials, optical and acoustic manipulation, and so forth. This Roadmap is written collectively by prominent researchers and aims to survey the role of structured waves in various areas of wave physics. Providing background, current research, and anticipating future developments, it will be of interest to a wide cross-disciplinary audience. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001061350200001 |
Publication Date |
2023-07-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2040-8978 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.1 |
Times cited |
7 |
Open Access |
Not_Open_Access: Available from 30.03.2024 |
|
| |
Notes |
This work is funded by the Royal Society and EPSRC under the Grant Number EP/M01326X/1.M A A acknowledges funding from the Excellence Initiative of Aix Marseille University-A*MIDEX, a French Investissements d'Avenir' programme, and from the Agence Nationale de Recherche (ANR) through project ANR-21-CE24-0014-01.M R D acknowledges support from the EPSRC Centre for Doctoral Training in Topological Design(EP/S02297X/1).S R acknowledges support by the Austrian Science Fund (FWF, Grant P32300 WAVELAND) and by the European Commission (Grant MSCA-RISE 691209 NHQWAVE). FN is supported in part by NTT Research, and S K OE by the Air Force Office of Scientific Research (AFOSR) Multidisciplinary University Research Initiative (MURI) Award No. FA9550-21-1-0202.The authors thank their co-workers Yaron Bromberg, Hasan Yilmaz, and collaborators Joerg Bewersdorf and Mengyuan Sun for their contributions to the works presented here. They also acknowledge financial support from the Office of Naval Research (N00014-20-1-2197) and the National Science Foundation (DMR-1905465).H R acknowledges a support from the Australian Research Council DECRA Fellowship DE220101085. Y K acknowledges a support from the Australian Research Council (Grant DP210101292).M G S acknowledges partial support from Simons Foundation/Collaboration on Extreme Wave Phenomena Based on Symmetries, from the Institution of Engineering and Technology (IET) under the A F Harvey Research Prize 2018, and from Instituto de Telecomunicacoes under project UIDB/50008/2020. N E acknowledges partial support from Simons Foundation/Collaboration on Extreme Wave Phenomena Based on Symmetries, and from the US Air Force Office of Scientific Research (AFOSR) Multidisciplinary University Research Initiative (MURI) grant number FA9550-21-1-0312.We acknowledge funding by the Alexander von Humboldt Foundation in the framework of the Alexander von Humboldt Professorship endowed by the Federal Ministry of Education and Research. Moreover, financial support from the European Union's Horizon 2020 research and innovation program under Grant Agreement No. 899275 (DAALI) is gratefully acknowledged.D L acknowledges a support from the National Research Foundation, Singapore and A*STAR under its CQT Bridging Grant. D A S acknowledges support from the Australian Research Council (FT230100058).The authors gratefully acknowledge financial support from the Israel Science Foundation (ISF), the U.S. Air Force Office of Scientific Research (FA9550-18-1-0208) through their program on Photonic Metamaterials, the Israel Ministry of Science, Technology and Space. The fabrication was performed at the Micro-Nano Fabrication & Printing Unit(MNF & PU), Technion.This work was supported by the European Research Council projects iCOMM (789340) and Starting Grant ERC-2016-STG-714151-PSINFONI.Our work in this area has been funded by the National Science Foundation, the Office of Naval Research, and the Simons Foundation.This work was supported by the Australian Research Council Discovery Project DP190100406.J V acknowledges funding from the eBEAM Project supported by the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 101017720 (FET-Proactive EBEAM), FWO Project G042820N Exploring adaptive optics in transmission electron microscopy' and European Union's Horizon 2020 Research Infrastructure-Integrating Activities for Advanced Communities Grant Agreement No. 823717-ESTEEM3. P S acknowledges the support of the Austrian Science Fund under Project Nr. P29687-N36.; The authors would like to thank their many collaborators including Wangchun Chen, Charles W Clark, Lisa DeBeer-Schmitt, Huseyin Ekinci, Melissa Henderson, Michael Huber, Connor Kapahi, Ivar Taminiau, and Kirill Zhernenkov. The authors would also like to acknowledge their funding sources: the Canadian Excellence Research Chairs (CERC) program, the Natural Sciences and Engineering Research Council of Canada (NSERC), the Canada First Research Excellence Fund (CFREF).E K acknowledges the support of Canada Research Chairs, Ontario's Early Research Award, and NRC-uOttawa Joint Centre for Extreme Quantum Photonics (JCEP) via the High Throughput and Secure Networks Challenge Program at the National Research Council of Canada. |
Approved |
Most recent IF: 2.1; 2023 IF: 1.741 |
|
| |
Call Number |
UA @ admin @ c:irua:199327 |
Serial |
8925 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bian, G.; Ageeva, O.; Roddatis, V.; Li, C.; Pennycook, T.J.; Habler, G.; Abart, R. |
|
| |
Title |
Crystal structure controls on oriented primary magnetite micro-inclusions in plagioclase From oceanic gabbro |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of petrology |
Abbreviated Journal |
|
|
| |
Volume |
64 |
Issue |
3 |
Pages |
egad008-18 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001010636400007 |
Publication Date |
2023-01-28 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0022-3530 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
3.9 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 3.9; 2023 IF: 3.28 |
|
| |
Call Number |
UA @ admin @ c:irua:195160 |
Serial |
7292 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Duden, E.I.; Savaci, U.; Turan, S.; Sevik, C.; Demiroglu, I. |
|
| |
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 |
|
|
| |
Volume |
35 |
Issue |
8 |
Pages |
085301-85311 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000899825400001 |
Publication Date |
2022-12-05 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
2.7 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
|
| |
Call Number |
UA @ admin @ c:irua:193399 |
Serial |
7313 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Souza, J.C.B.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A. |
|
| |
Title |
Magnus induced diode effect for skyrmions in channels with periodic potentials |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
|
| |
Volume |
35 |
Issue |
1 |
Pages |
015804-15810 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000880827900001 |
Publication Date |
2022-10-22 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.7 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
|
| |
Call Number |
UA @ admin @ c:irua:192031 |
Serial |
7320 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bekaert, J.; Bringmans, L.; Milošević, M.V. |
|
| |
Title |
Ginzburg-Landau surface energy of multiband superconductors : derivation and application to selected systems |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
|
| |
Volume |
35 |
Issue |
32 |
Pages |
325602-325610 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000986281900001 |
Publication Date |
2023-05-03 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
2.7 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
|
| |
Call Number |
UA @ admin @ c:irua:196664 |
Serial |
8875 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Wang, S.; Tian, H.; Sun, M. |
|
| |
Title |
Valley-polarized and enhanced transmission in graphene with a smooth strain profile |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
|
| |
Volume |
35 |
Issue |
30 |
Pages |
304002-304013 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000977124700001 |
Publication Date |
2023-04-11 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.7 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
|
| |
Call Number |
UA @ admin @ c:irua:196718 |
Serial |
8953 |
|
| Permanent link to this record |
