| Records |
| Author |
Gonzalez-Nelson, A.; Mula, S.; Simenas, M.; Balciunas, S.; Altenhof, A.R.; Vojvodin, C.S.; Canossa, S.; Banys, J.; Schurko, R.W.; Coudert, F.-X.; van der Veen, M.A. |
| Title |
Emergence of coupled rotor dynamics in metal-organic frameworks via tuned steric interactions |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of The American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| Volume |
143 |
Issue |
31 |
Pages |
12053-12062 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The organic components in metal-organic frameworks (MOFs) are unique: they are embedded in a crystalline lattice, yet, as they are separated from each other by tunable free space, a large variety of dynamic behavior can emerge. These rotational dynamics of the organic linkers are especially important due to their influence over properties such as gas adsorption and kinetics of guest release. To fully exploit linker rotation, such as in the form of molecular machines, it is necessary to engineer correlated linker dynamics to achieve their cooperative functional motion. Here, we show that for MIL-53, a topology with closely spaced rotors, the phenylene functionalization allows researchers to tune the rotors' steric environment, shifting linker rotation from completely static to rapid motions at frequencies above 100 MHz. For steric interactions that start to inhibit independent rotor motion, we identify for the first time the emergence of coupled rotation modes in linker dynamics. These findings pave the way for function-specific engineering of gear-like cooperative motion in MOFs. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000684581100022 |
Publication Date |
2021-07-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0002-7863 |
ISBN |
|
Additional Links  |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
13.858 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 13.858 |
| Call Number |
UA @ admin @ c:irua:180504 |
Serial |
6867 |
| Permanent link to this record |
| |
|
| |
| Author |
Weiβ, R.; Gritsch, S.; Brader, G.; Nikolic, B.; Spiller, M.; Santolin, J.; Weber, H.K.; Schwaiger, N.; Pluchon, S.; Dietel, K.; Guebitz, G.; Nyanhongo, G. |
| Title |
A biobased, bioactive, low CO₂ impact coating for soil improvers |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Green Chemistry |
Abbreviated Journal |
Green Chem |
| Volume |
23 |
Issue |
17 |
Pages |
6501-6514 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Lignosulfonate-based bioactive coatings as soil improvers for lawns were developed using laccase as a biocatalyst. Incorporation of glycerol, xylitol and sorbitol as plasticizers considerably reduced the brittleness of the synthesized coatings of marine carbonate granules while thermal enzyme inactivation at 100 degrees C enabled the production of stable coatings. Heat inactivation produced stable coatings with a molecular weight of 2000 kDa and a viscosity of 4.5 x 10(-3) Pas. The desired plasticity for the spray coating of soil improver granules was achieved by the addition of 2.7% of xylitol. Agriculture beneficial microorganisms (four different Bacillus species) were integrated into the coatings. The stable coatings protected the marine calcium carbonate granules, maintained the viability of the microorganisms and showed no toxic effects on the germination and growth of model plants including corn, wheat, salad, and tomato despite a slight delay in germination. Moreover, the coatings reduced the dust formation of soil improvers by 70%. CO2 emission analysis showed potential for the reduction of up to 3.4 kg CO2-eq. kg(-1) product, making it a viable alternative to fossil-based coatings. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000683056500001 |
Publication Date |
2021-08-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9262; 1463-9270 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.125 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 9.125 |
| Call Number |
UA @ admin @ c:irua:180511 |
Serial |
7558 |
| Permanent link to this record |
| |
|
| |
| Author |
Azadi, H.; Van Passel, S.; Cools, J. |
| Title |
Rapid economic valuation of ecosystem services in man and biosphere reserves in Africa : a review |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Global Ecology and Conservation |
Abbreviated Journal |
|
| Volume |
28 |
Issue |
|
Pages |
e01697 |
| Keywords |
A1 Journal article; Engineering Management (ENM) |
| Abstract |
Y Ecosystem services (ESs) include the benefits people receive from ecosystems that support the socio-economic requirements and human well-being. The Man and Biosphere (MAB) programs are a scientific plan in the African context that is linked to governments and attempts to create a systematic ground to enhance the relationship between individuals and their environments. Using economic valuation methods, the main objective of this study was to perform a systematic review on studies undertaken in African countries in order to expose the role of MAB programs in conserving ESs in these countries. Based on the results, MAB programs offer both the protection of cultural ecosystem services and the improvement of livelihoods. Moreover, the MAB programs enable biosphere reserves to help national governments find solutions to the pressing challenges in Africa. In conclusion, policymakers should be aware of the main goal of ESs valuation approaches. In other words, the main goal should focus on the creation of prevention rather than rehabilitation activities in order to avoid the loss of ecosystem services mainly at the cost of users. Overall, the findings of this study underlined that economic valuation methods should provide evidence to underpin the development of policy instruments for the conservation of ESs in African countries. More importantly, ESs conservation strategies should consider various measures to reduce human impacts while also considering their well-being. In this context, the study's main implication is that human well-being is determined not only by the quantity but also by the quality of ESs. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000684309900002 |
Publication Date |
2021-06-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
23519894; 2351-9894 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:180530 |
Serial |
6941 |
| Permanent link to this record |
| |
|
| |
| Author |
Reyntjens, P.D.; Tiwari, S.; van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
| Title |
Ab-initio study of magnetically intercalated platinum diselenide : the impact of platinum vacancies |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Materials |
Abbreviated Journal |
Materials |
| Volume |
14 |
Issue |
15 |
Pages |
4167 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
We study the magnetic properties of platinum diselenide (PtSe2) intercalated with Ti, V, Cr, and Mn, using first-principle density functional theory (DFT) calculations and Monte Carlo (MC) simulations. First, we present the equilibrium position of intercalants in PtSe2 obtained from the DFT calculations. Next, we present the magnetic groundstates for each of the intercalants in PtSe2 along with their critical temperature. We show that Ti intercalants result in an in-plane AFM and out-of-plane FM groundstate, whereas Mn intercalant results in in-plane FM and out-of-plane AFM. V intercalants result in an FM groundstate both in the in-plane and the out-of-plane direction, whereas Cr results in an AFM groundstate both in the in-plane and the out-of-plane direction. We find a critical temperature of <0.01 K, 111 K, 133 K, and 68 K for Ti, V, Cr, and Mn intercalants at a 7.5% intercalation, respectively. In the presence of Pt vacancies, we obtain critical temperatures of 63 K, 32 K, 221 K, and 45 K for Ti, V, Cr, and Mn-intercalated PtSe2, respectively. We show that Pt vacancies can change the magnetic groundstate as well as the critical temperature of intercalated PtSe2, suggesting that the magnetic groundstate in intercalated PtSe2 can be controlled via defect engineering. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000682047700001 |
Publication Date |
2021-07-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1996-1944 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.654 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 2.654 |
| Call Number |
UA @ admin @ c:irua:180540 |
Serial |
6966 |
| Permanent link to this record |
| |
|
| |
| Author |
Dey, A.; Ye, J.; De, A.; Debroye, E.; Ha, S.K.; Bladt, E.; Kshirsagar, A.S.; Wang, Z.; Yin, J.; Wang, Y.; Quan, L.N.; Yan, F.; Gao, M.; Li, X.; Shamsi, J.; Debnath, T.; Cao, M.; Scheel, M.A.; Kumar, S.; Steele, J.A.; Gerhard, M.; Chouhan, L.; Xu, K.; Wu, X.-gang; Li, Y.; Zhang, Y.; Dutta, A.; Han, C.; Vincon, I.; Rogach, A.L.; Nag, A.; Samanta, A.; Korgel, B.A.; Shih, C.-J.; Gamelin, D.R.; Son, D.H.; Zeng, H.; Zhong, H.; Sun, H.; Demir, H.V.; Scheblykin, I.G.; Mora-Sero, I.; Stolarczyk, J.K.; Zhang, J.Z.; Feldmann, J.; Hofkens, J.; Luther, J.M.; Perez-Prieto, J.; Li, L.; Manna, L.; Bodnarchuk, M., I; Kovalenko, M., V; Roeffaers, M.B.J.; Pradhan, N.; Mohammed, O.F.; Bakr, O.M.; Yang, P.; Muller-Buschbaum, P.; Kamat, P., V; Bao, Q.; Zhang, Q.; Krahne, R.; Galian, R.E.; Stranks, S.D.; Bals, S.; Biju, V.; Tisdale, W.A.; Yan, Y.; Hoye, R.L.Z.; Polavarapu, L. |
| Title |
State of the art and prospects for Halide Perovskite Nanocrystals |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Acs Nano |
Abbreviated Journal |
Acs Nano |
| Volume |
15 |
Issue |
7 |
Pages |
10775-10981 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Metal-halide perovskites have rapidly emerged as one of the most promising materials of the 21st century, with many exciting properties and great potential for a broad range of applications, from photovoltaics to optoelectronics and photocatalysis. The ease with which metal-halide perovskites can be synthesized in the form of brightly luminescent colloidal nanocrystals, as well as their tunable and intriguing optical and electronic properties, has attracted researchers from different disciplines of science and technology. In the last few years, there has been a significant progress in the shape-controlled synthesis of perovskite nanocrystals and understanding of their properties and applications. In this comprehensive review, researchers having expertise in different fields (chemistry, physics, and device engineering) of metal-halide perovskite nanocrystals have joined together to provide a state of the art overview and future prospects of metal-halide perovskite nanocrystal research. |
| Address |
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| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000679406500006 |
Publication Date |
2021-06-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
13.942 |
Times cited |
538 |
Open Access |
OpenAccess |
| Notes |
E.D. and J.H. acknowledge financial support from the Research FoundationFlanders (FWO Grant Nos. S002019N, G.0B39.15, G.0B49.15, G.0962.13, G098319N, and ZW15_09-GOH6316), the Research Foundation Flanders postdoctoral fellowships to J.A.S. and E.D. (FWO Grant Nos. 12Y7218N and 12O3719N, respectively), |
Approved |
Most recent IF: 13.942 |
| Call Number |
UA @ admin @ c:irua:180553 |
Serial |
6846 |
| Permanent link to this record |
| |
|
| |
| Author |
Abakumov, A.M.; Li, C.; Boev, A.; Aksyonov, D.A.; Savina, A.A.; Abakumova, T.A.; Van Tendeloo, G.; Bals, S. |
| Title |
Grain boundaries as a diffusion-limiting factor in lithium-rich NMC cathodes for high-energy lithium-ion batteries |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
|
| Volume |
4 |
Issue |
7 |
Pages |
6777-6786 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
High-energy lithium-rich layered transition metal oxides are capable of delivering record electrochemical capacity and energy density as positive electrodes for Li-ion batteries. Their electrochemical behavior is extremely complex due to sophisticated interplay between crystal structure, electronic structure, and defect structure. Here we unravel an extra level of this complexity by revealing that the most typical representative Li1.2Ni0.13Mn0.54Co0.13O2 material, prepared by a conventional coprecipitation technique with Na2CO3 as a precipitating agent, contains abundant coherent (001) grain boundaries with a Na-enriched P2-structured block due to segregation of the residual sodium traces. The trigonal prismatic oxygen coordination of Na triggers multiple nanoscale twinning, giving rise to incoherent (104) boundaries. The cationic layers at the (001) grain boundaries are filled with transition metal cations being Mn-depleted and Co-enriched; this makes them virtually not permeable for the Li+ cations, and therefore they negatively influence the Li diffusion in and out of the spherical agglomerates. These results demonstrate that besides the mechanisms intrinsic to the crystal and electronic structure of Li-rich cathodes, their rate capability might also be depreciated by peculiar microstructural aspects. Dedicated engineering of grain boundaries opens a way for improving inherently sluggish kinetics of these materials. |
| 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 |
|
| Language |
|
Wos |
000678382900042 |
Publication Date |
2021-07-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
4 |
Open Access |
OpenAccess |
| Notes |
We thank Dr. M. V. Berekchiian (MSU) for assisting in ICPMS measurements. We acknowledge Russian Science Foundation (Grant 20-43-01012) and Research Foundation Flanders (FWO Vlaanderen, Project No. G0F1320N) for financial support. |
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:180556 |
Serial |
6841 |
| Permanent link to this record |
| |
|
| |
| Author |
Kerckhof, F.-M.; Sakarika, M.; Van Giel, M.; Muys, M.; Vermeir, P.; De Vrieze, J.; Vlaeminck, S.E.; Rabaey, K.; Boon, N. |
| Title |
From biogas and hydrogen to microbial protein through co-cultivation of methane and hydrogen oxidizing bacteria |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Frontiers in Bioengineering and Biotechnology |
Abbreviated Journal |
|
| Volume |
9 |
Issue |
|
Pages |
733753 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Increasing efforts are directed towards the development of sustainable alternative protein sources among which microbial protein (MP) is one of the most promising. Especially when waste streams are used as substrates, the case for MP could become environmentally favorable. The risks of using organic waste streams for MP production–the presence of pathogens or toxicants–can be mitigated by their anaerobic digestion and subsequent aerobic assimilation of the (filter-sterilized) biogas. Even though methane and hydrogen oxidizing bacteria (MOB and HOB) have been intensively studied for MP production, the potential benefits of their co-cultivation remain elusive. Here, we isolated a diverse group of novel HOB (that were capable of autotrophic metabolism), and co-cultured them with a defined set of MOB, which could be grown on a mixture of biogas and H2/O2. The combination of MOB and HOB, apart from the CH4 and CO2 contained in biogas, can also enable the valorization of the CO2 that results from the oxidation of methane by the MOB. Different MOB and HOB combinations were grown in serum vials to identify the best-performing ones. We observed synergistic effects on growth for several combinations, and in all combinations a co-culture consisting out of both HOB and MOB could be maintained during five days of cultivation. Relative to the axenic growth, five out of the ten co-cultures exhibited 1.1–3.8 times higher protein concentration and two combinations presented 2.4–6.1 times higher essential amino acid content. The MP produced in this study generally contained lower amounts of the essential amino acids histidine, lysine and threonine, compared to tofu and fishmeal. The most promising combination in terms of protein concentration and essential amino acid profile was Methyloparacoccus murrelli LMG 27482 with Cupriavidus necator LMG 1201. Microbial protein from M. murrelli and C. necator requires 27–67% less quantity than chicken, whole egg and tofu, while it only requires 15% more quantity than the amino acid-dense soybean to cover the needs of an average adult. In conclusion, while limitations still exist, the co-cultivation of MOB and HOB creates an alternative route for MP production leveraging safe and sustainably-produced gaseous substrates. |
| 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 |
|
| Language |
|
Wos |
000697897900001 |
Publication Date |
2021-09-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2296-4185 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:180591 |
Serial |
7985 |
| Permanent link to this record |
| |
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| |
| Author |
Skorikov, A.; Heyvaert, W.; Albrecht, W.; Pelt, D.M.; Bals, S. |
| Title |
EMAT Simulated 3D Nanoparticle Structures Dataset |
Type |
Dataset |
| Year |
2021 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Dataset; Electron microscopy for materials research (EMAT) |
| Abstract |
This dataset contains 1000 simulated nanoparticle-like 3D structures and noisy EDX-like elemental maps based on them. These data are intended to be used for quantitative analysis of data processing methods in (EDX) tomography of nanoparticles and training the data-driven approaches for these tasks. The dataset is structured as follows: voxel_data/clean 3D voxel grid representation of the simulated nanoparticles. Voxel intensities are adjusted so that the total intensity equals 103. All 3D structures have unique identifiers in 0..999 range. The data derived from a 3D structure preserves this unique identifier. sinograms/clean Tilt series of projection images obtained from the corresponding 3D structures over an angular range of -75..75 degrees with a tilt step of 10 degrees to simulate a typical tilt series used in EDX tomography. Total intensity in each projection image equals 103. sinograms/noisy Tilt series of projection images corrupted with Poisson noise and an additional spatially uniform background noise. projections/clean Projection images extracted from the clean tilt series at 0 degrees tilt angle. projections/noisy Projection images extracted from the noisy tilt series at 0 degrees tilt angle. images/clean Visualizations of the clean projections as PNG images with the intensity range adjusted to 0..255 images/noisy Visualizations of the noisy projections as PNG images with the intensity range adjusted to 0..255 |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:180615 |
Serial |
6838 |
| Permanent link to this record |
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| |
| Author |
Van Winckel, T.; Cools, J.; Vlaeminck, S.E.; Joos, P.; Van Meenen, E.; Borregán-Ochando, E.; Van Den Steen, K.; Geerts, R.; Vandermoere, F.; Blust, R. |
| Title |
Towards harmonization of water quality management : a comparison of chemical drinking water and surface water quality standards around the globe |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Environmental Management |
Abbreviated Journal |
J Environ Manage |
| Volume |
298 |
Issue |
|
Pages |
113447-12 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Centre for Research on Environmental and Social Change |
| Abstract |
Water quality standards (WQS) set the legal definition for safe and desirable water. WQS impose regulatory concentration limits to act as a jurisdiction-specific legislative risk-management tool. Despite its importance in shaping a universal definition of safe, clean water, little information exists with respect to (dis)similarity of chemical WQS worldwide. Therefore, this paper compares chemical WQS for drinking and surface water matrices in eight jurisdictions representing a global geographic distribution: Australia, Brazil, Canada, China, the European Union, the region of Flanders in Belgium, the United States of America, and South Africa. The World Health Organization's list is used as a reference for drinking water standards. Sørensen–Dice indices (SDI) showed little qualitative similarity in the compounds that are regulated in drinking water (median SDI = 40%) and surface water (median SDI = 33%), indicating that the heterogeneity within a matrix is substantial at the level of the standard. Quantitative similarity for matching standards was higher than the qualitative per Kendall correlation (median = 0.73 and 0.58 for drinking water and surface water respectively), yet variance observed within standards remained inexplicably high for organic compounds. Variations in WQS were more pronounced for organic compounds. Most differences cannot be easily explained from a toxicological or risk-based point-of-view. Historical development, ease of measurement, and (toxicological) knowledge gaps on the risk of a vast number of organic compounds are theorized to be the drivers. Therefore, this study argues for a more tailored, risk-based approach in which standards incorporated into water safety plans are dynamically set for compounds that are persistent and could pose a risk for human health and/or aquatic ecosystems. Global variations in WQS should therefore not necessarily be avoided but rather globally harmonized with enough flexibility to ensure a global, up-to-date definition of safe and desirable water everywhere. |
| 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 |
000700577400005 |
Publication Date |
2021-08-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0301-4797 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.01 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 4.01 |
| Call Number |
UA @ admin @ c:irua:180765 |
Serial |
8681 |
| Permanent link to this record |
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| |
| Author |
Chekol Zewdie, M. |
| Title |
How irrigation water impacts Ethiopian agriculture : an applied economics study |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
xiv, 152 p. |
| Keywords |
Doctoral thesis; Economics; Engineering Management (ENM) |
| Abstract |
In recent decades, as crop production has increased in many areas where irrigation projects have been implemented, the global agricultural development community has promoted irrigation investments. However, due to the disappointing performance of irrigation farming in developing countries, irrigation intervention in Africa South of the Sahara including Ethiopia is an issue of debate. Moreover, several gaps exist in the Ethiopian irrigation farming literature. For instance, evidence about the direct and indirect effects of irrigation water on agriculture is not well documented. The irrigation farming literature has not disentangled the indirect effects of having access to irrigation water from the direct effect and the indirect effects have been underrepresented. Furthermore, most previous studies have applied either a quantitative or qualitative approach and have relied only on revealed data as main type of methodology, making studies that combine qualitative and quantitative research and that use both stated and revealed data underrepresented. In this study, different approaches have been applied to investigate how irrigation water impacts Ethiopia agriculture with special attention being given to disentangling the direct and indirect effects of irrigation water on Ethiopian agriculture. Using a structural equation model, a stochastic production frontier approach, and a discrete choice experiment, I drew evidence regarding the direct and indirect effects of irrigation water on crop revenue of smallholder farmers, the technical efficiency of irrigation user farmers, and the farmers’ willingness to pay to improve poor irrigation schemes from field observations, semi-structured interviews and focus group discussions with farmers, and key informant interviews with the local agricultural agents from the Koga and Fogera Districts of Amhara Region Ethiopia. The results indicate that irrigation water in general has both direct and indirect positive effects on agriculture, and the indirect effect is mediated by both improved farm inputs and the type of crops produced. The results also show that – due to poor extension services and backward agronomic practices, the mean technical efficiency of farmers in Ethiopia is very low, and that large-scale irrigation users are less technically efficient than small-scale irrigation users. Moreover, the results show that improving irrigation schemes shifts the frontier up, and smallholder farmers are strongly willing to contribute financially to the maintenance costs of irrigation schemes. The results offer relevant lessons for policymakers that providing irrigation water supply must be embedded in a comprehensive support package including access to extension services, improved input supply, and access to stable markets. |
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Wos |
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ISBN |
978-90-5728-700-8 |
Additional Links |
UA library record |
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Open Access |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:180816 |
Serial |
6928 |
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| Author |
Cui, Z. |
| Title |
Experimental and theoretical study on SF6 degradation by packed-bed DBD plasma |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
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Abbreviated Journal |
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Issue |
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Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Sulfur hexafluoride (SF6), as a man-made gas, is widely used in power industry, semiconductor industry and metal-processing industry. However, SF6 is a greenhouse gas and its global warming potential is 23500 times that of CO2. Besides, SF6 is very stable, with a lifetime in the atmosphere for more than one thousand years. Under natural conditions, only the ultraviolet light can make it slowly decomposed. Thus, the emission of SF6 has a great threat to the environment. In recent years, with the development of our national economy, the use of SF6 increased dramatically. And 90% of the SF6 emissions come from the power industry. In the meantime, the emission of SF6 exists a ‘hysteresis effect’, as many of the SF6-gas insulation equipment will retire in next decades, the emission of SF6 may increase sharply, and this may put great pressure on the environment. Therefore, it’s necessary to make efforts in controlling and treating the SF6 emission. Among the SF6 abatement technologies, the non-thermal plasma(NTP) represented by the dielectric barrier discharge(DBD) can effectively degrade SF6 and is suitable for large-scale industry applications. However, its energy efficiency still gets room for improvement and this kind of method has a defect that it’s hard to regulate the degradation by-products. Therefore, this paper proposed the combination of the packed bed reactor and the DBD technology to form a packed DBD discharge system for SF6 degradation, so that to further improve the energy efficiency and regulate the selectivity of by-products. By experiment and simulation research, the following innovations have been achieved: (1) Based on the packed bed DBD platform, the power parameter and gas-phase parameters of SF6 degradation were studied. It was found that the discharge process was significantly enhanced with the addition of packing particles, and the discharge energy efficiency was improved. The increase of input voltage can obviously increase the degradation rate, but reduces the energy efficiency. The increase of SF6 initial concentration and gas flow rate can improve the energy efficiency, but reduce the degradation rate. Therefore, both degradation rate and energy efficiency should be considered in deciding basic experimental conditions. (2) Active gases, such as O2, H2O and NH3, could effectively promote the degradation rate of SF6, and changed the product selectivity. In our packed bed DBD system, O2 and H2O have the optimal concentration conditions, which are 2% and 1%, respectively. The addition of O2 can promote the generation of S-O-F products, and inhibit the selectivity of SO2, while the addition of H2O had the opposite effects. In addition, the synergistic degradation of NH3 and SF6 will produce solid products, such as NH3HF, NH4HF2 and elemental S. For gaseous products, the increase of NH3 will lead to the generation of SO2 in the final degradation products and inhibit the generation of S-O-F products. (3) Different kinds of packing materials have great impacts on the degradation system in the discharge parameters, degradation rate and energy efficiency, as well as the products distribution. In the experiment, we compared the degradation results in three systems: glass beads packing, γ-Al2O3 packing and no-packing system. The packing of glass beads effectively improved the discharge voltage amplitude and discharge power, while had a limited effect on the equivalent capacitance of the dielectric. Besides, γ-Al2O3 packing had little effect on voltage amplitude, but obviously increased the equivalent capacitance of the dielectric. Furthermore, the degradation rate and energy efficiency in γ-Al2O3 system was higher than that of glass bead system. For products selectivity, γ-Al2O3 system was more desirable, where S-O-F type of product selectivity was suppressed and the SO2 selectivity increased significantly. By contrast, the glass beads system hardly affected the product selectivity. This results are presumably due to the relatively high dielectric constant of γ-Al2O3 particles and γ-Al2O3 itself may act as a reactant or a catalyst participating in the degradation reactions. (4) The size and status of the packing particles also have significant effects on the degradation process. The systems packed with 1, 2 and 4mm γ-Al2O3 particles for SF6 degradation were compared, and the 2mm system had the best performance, which may because the 2mm system had a good balance between the active contact area and the gas residence time. In addition, the packing pellets suffered from a hydration process slightly reduced the discharge parameters in the γ-Al2O3 packing system and significantly reduced the degradation rate was, which may because the H2O molecules pre-occupied the active sites on the γ-Al2O3 surface and reduced the discharge process. (5) Based on density functional theory (DFT), the degradation process of SF6 in the packed bed DBD system was studied at atomic scale. It was found that the SF6 can occur a physical adsorption at AlⅢ active sites on γ-Al2O3 surface. The activation barrier for the first degradation step of SF6 on γ-Al2O3 surface is much lower than in gas phase, which proved that the SF6 molecule is activated on the γ-Al2O3 surface. In addition, the plasma may affect the γ-Al2O3 surface to generate excess electrons or external electric fields. This two effects can change the adsorbed SF6 molecules from physical adsorption to chemisorption, together with an obvious stretching of S-F bonds, indicating that the plasma surface effects prmote the activation and decomposition of SF6 molecules. Furthermore, the stepwise degradation process of SF6 on γ-Al2O3 surface were investigated. The influence of radicals produced by plasma on the degradation process was analyzed. It was found that via Eley–Rideal (ER) reactions, high-energy radicals could effectively reduce the activation barriers and promote the surface reactions. Finally, the degradation mechanism of SF6 molecules in the packed bed plasma system was summarized, which may provide a theoretical basis for the study of harmless degradation of SF6. Keywords: SF6; Packed Bed DBD; Discharge Parameters; Products Analysis; Degradation Mechanism |
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UA library record |
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Open Access |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:180819 |
Serial |
7946 |
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| Author |
Chapman, D.; Gielis, J. |
| Title |
Gielis transformations for the audiovisual geometry database |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Symmetry : culture and science |
Abbreviated Journal |
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| Volume |
32 |
Issue |
2 |
Pages |
177-180 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
This publication introduces the audiovisual geometry database with Gielis transformations as initial records for a prototype of the database. A concise overview is given of the rationale behind the database and studying wave phenomena with Gielis transformations. First results on a form of timbral polyphony observed in Gielis curves and future work are briefly discussed. |
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Wos |
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Publication Date |
2021-07-02 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
0865-4824 |
ISBN |
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UA library record |
| Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:180965 |
Serial |
8004 |
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| Author |
Velazco Torrejón, A. |
| Title |
Alternative scan strategies for high resolution STEM imaging |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
131 p. |
| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
| Abstract |
Currently, a large variety of materials are studied by transmission electron microscopy (TEM) as it offers the possibility to perform structural and elemental analysis at a local scale. Relatively recent advances in aberration correctors and electron sources allow the instrument to achieve atomic resolution. Along with these advances, a state-of-the-art technology has been reached in TEM. However, the instrument is far from being perfect and imperfections or external sources can make the interpretation of information troublesome. Environmental factors such as acoustic and mechanical vibrations, temperature fluctuations, etc., can induce sample drift and create image distortions. These distortions are enhanced in scanning operation because of the serial acquisition of the information, which are more apparent at atomic resolution as small field of views are imaged. In addition, scanning distortions are induced due to the finite time response of the scan coils. These types of distortions would reduce precision in atomic-scale strain analysis, for instance, in semiconductors. Most of the efforts to correct these distortions are focused on data processing techniques post-acquisition. Another limitation in TEM is beam damage effects. Beam damage arises because of the energy transferred to the sample in electron-sample interactions. In scanning TEM, at atomic resolution, the increased electron charge density (electron dose) carried on a sub-Å size electron probe may aggravate beam damage effects. Soft materials such as zeolites, organic, biological materials, etc., can be destroyed under irradiation limiting the amount of information that can be acquired. Current efforts to circumvent beam damage are mostly based on low electron dose acquisitions and data processing methods to maximize the signal at low dose conditions. In this thesis, a different approach is given to address drift and scanning distortions, as well as beam damage effects. Novel scan strategies are proposed for that purpose, which are shown to substantially overcome these issues compared to the standard scan method in TEM. |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:180973 |
Serial |
6852 |
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| Author |
Einhäupl, P. |
| Title |
Landfill mining : implementing the missing link to a circular economy: an evaluation of the societal sustainability |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
xxiii, 216 p. |
| Keywords |
Doctoral thesis; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
| Abstract |
One of the main objectives of implementing a circular economy system is the reuse and recycling of resources. Closing material cycles and renewable-based electricity and fuel production are essential to such systems. To achieve a high degree of circularity, waste streams have to be rethought and integrated from a cradle-to-grave to a cradle-to-cradle approach. However, today’s circular economy strategies mostly focus on current waste streams, while past waste streams, buried in landfills, could play an important role when recovering resources and energy. Hence, a well-thought-out circular economy strategy should include the re-integration of past waste streams. A grave-to-cradle approach is needed. Landfill mining (LFM), i.e. the excavation and processing of formerly buried waste to energy and materials, aims at utilizing these past waste streams. Doing so could bear potential economic, environmental, and societal burdens and benefits. Originating from landfill remediation projects, landfill mining has been further developed towards resource recovery. Today, using up-to-date technologies and following the most stringent environmental and social criteria, the concept is also known as enhanced landfill mining (ELFM). Throughout the relevant scientific literature, most attention is given to advances in technological development for (E)LFM, as well as its techno-economic and environmental assessment. Societal assessments of LFM projects are rare and treat societal impacts only selectively or from unilateral societal perspectives. If stakeholders are included in societal (E)LFM assessments, only industrial actors, like landfill operators, and governmental actors are asked to participate. A holistic stakeholder assessment for (E)LFM is missing. Moreover, the diverse societal impacts – ranging from socio-environmental benefits through the mitigation of health risks, over socio-economic benefits through land reclamation, and social benefits through community engagement, for example – are either only studied selectively or evaluated as one, entangling various societal effects. A holistic and specific assessment of societal factors affecting (E)LFM implementation is also missing. This thesis uses an anticipatory approach to tackle these challenges. This approach aims to integrate stakeholder values and include uncertainty through the use of multiple social perspectives and prospective modeling tools. In-depth interviews were conducted to develop a typology of (E)LFM stakeholders and to elicit the most important stakeholder needs. Stakeholders were selected along an extended quadruple helix framework, including industrial, institutional, scientific, and community actors. Furthermore, using system dynamics tools, namely causal loop diagrams, societal systems of (E)LFM could be visualized and analyzed. Finally, a discrete choice experiment was conducted to evaluate a set of societal factors representing the conversion of a landfill into a public park for recreational use. The in-depth interviews included landfill operators, technology providers and incubators, local governments and governmental institutions, as well as researchers and community members. To structure the diverse perspectives of stakeholders on (E)LFM, five stakeholder archetypes were developed: The Entrepreneur, the Engaged Citizen, the Visionary, the Technology Enthusiast, and the Skeptic. The archetypes capture important characteristics and opinions approaching (E)LFM implementation. They differ in risk perceptions, knowledge base, influence on (E)LFM’s systemic and project implementation, and their main concerns and motivations. Furthermore, 18 stakeholder needs were derived from the interviews. This includes societal, environmental, regulatory, and techno-economic needs. The needs are put in relation to the affected stakeholders and sustainability dimensions. Uncertainties that could potentially be reduced through the fulfillment of each need are qualitatively assessed. Quantitatively, stakeholders were focusing on societal, regulatory, and techno-economic needs, whereas qualitative emphasis was given to environmental needs, especially the avoidance of impacts from primary resource production. When meeting stakeholder needs fairly, intra- and inter-dimensional trade-offs have to be considered as different perspectives can lead to different and sometimes contradicting implications for (E)LFM implementation. To conceptualize societal systems of (E)LFM, causal loop diagrams were developed following system dynamics methodology. The visualizations show how (E)LFM is embedded in its societal context. Variables comprising the societal impact were analyzed, and mechanisms affecting the public project acceptance and the market acceptance of (E)LFM products worked out. Leverage points were identified, helping (E)LFM practitioners and policymakers to minimize potential risks and maximize potential benefits. To these count technological choices, stakeholder involvement, the after-use, quality standards, and LFM regulation in general, amongst others. To disentangle and evaluate societal impacts of (E)LFM, a discrete choice experiment was conducted deriving the utility of five distinct attributes: the size of a landfill, the project duration, job creation, disamenities, and climate impacts. To determine the willingness to pay, perform scenario analysis, and model policy simulations, a sixth attribute was added representing a cost factor for project implementation. Environmental considerations are most important to the sample, while project duration and disamenities also play a significant role. The scenario analysis and policy simulations show that taxing households for (E)LFM implementation is a viable option, especially for environmentally beneficial projects. Nonetheless, a favorable combination of the remaining attributes can compensate utility losses for environmentally questionable projects. As risks of classical landfill management practices are likely to grow with an updated evaluation of after-care periods lasting up to 100 years and more, positive effects of (E)LFM become even more noteworthy. Nonetheless, (E)LFM projects also pose potential risks like groundwater contamination or the reintroduction of hazardous materials. If executed poorly, (E)LFM projects could potentially do more harm than good. A mix of policy measures is recommended to push a major part of potential (E)LFM projects from being environmentally beneficial and economically inefficient to being societally, environmentally, and economically favorable. Overall, more research is necessary to integrate (E)LFM into circular economy strategies and build a sensible grave-to-cradle approach. |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:181007 |
Serial |
6935 |
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| Author |
Rodrigues Lavor, I. |
| Title |
Plasmons and electronic transport in two-dimensional materials |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
219 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
| Abstract |
This thesis presents, in its first part, an investigation on the trembling motion of wave packets known as zitterbewegung (ZBW), in multilayer graphene, as well as in moiré excitons in twisted MoS2/WSe2 hetero-bilayers. In the last few decades, the dynamics of wave packets has been subject of many theoretical and experimental studies in various types of systems such as semiconductors, superconductors, crystalline solids and cold atoms. The discovery of graphene and moiré excitons in twisted hetero-bilayers, brought two new platforms for the investigation on time evolution of wave packets and possible observation of ZBW. This trembling motion was first theoretically predicted by Schrödinger for wave packets describing particles that obey the Dirac equation. This is exactly the case of low energy electrons in graphene, as well as of moiré exciton in twisted MoS2/WSe2 under an external applied electromagnetic field. ZBW in multilayer graphene was studied both analytically and computationally, respectively, through the Green's function and split-operator methods. In this system, it is found that ZBW depends not only on the wave packet width and initial pseudospin polarization, but also on the number of layers. Furthermore, the analytical and numerical methods proposed here allow to investigate wave packet dynamics in graphene systems with an arbitrary number of layers and arbitrary potential landscapes. For moiré excitons in twisted MoS2/WSe2 hetero-bilayers, it is shown that, analogously to other Dirac-like particles, this system also exhibits ZBW when under a perpendicular applied field. In this case, the ZBW presents long timescales that are compatible with current experimental techniques for exciton dynamics. This promotes the study of the dynamics of moiré excitons in van der Waals heterostructures as an advantageous solidstate platform to probe zitterbewegung, broadly tunable by gating and inter-layer twist angle. In the second part of this thesis, a study into graphene plasmonic in van der Waals heterostructure (vdWhs) are treated in a linear response framework within the Random Phase Approximation and with support of the quantum electrostatic heterostructure (QEH), a DFT-based method. Since Dirac plasmons in graphene are very sensitive to the dielectric properties of the environment, it is possible to explore this property to probe the structure and composition of van der Waals heterostructures (vdWh) placed underneath a single graphene layer. In this way, one can achieve a layer sensitivity of a single layer and differentiate between different TMDs for heterostructures thicker than 2 layers. As a consequence of this, study, the hybridization of Dirac plasmons in graphene with phonons of transition metal dichalcogenides (TMDs), when the materials are combined in so-called van der Waals heterostructures (vdWh) forming surface plasmon-phonon polaritons (SPPPs) are also investigated. It was found that it is possible to realize both strong and ultrastrong coupling regimes by tuning graphene’s Fermi energy and changing TMD layer number. |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:181012 |
Serial |
7011 |
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| Author |
Sleegers, N. |
| Title |
Cephalosporin antibiotics : electrochemical fingerprints and redox pathways investigated by mass spectral analysis |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
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Issue |
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Pages |
208 p. |
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Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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UA library record |
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Times cited |
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Open Access |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:181014 |
Serial |
7588 |
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| Author |
Grangeiro de Barros, A.; Devroede, R.; Vanlanduit, S.; Vuye, C.; Kampen, J.K. |
| Title |
Acoustic simulation of noise barriers and prediction of annoyance for local residents |
Type |
P1 Proceeding |
| Year |
2021 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
1-8 |
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P1 Proceeding; Engineering sciences. Technology; Engineering Management (ENM); Condensed Matter Theory (CMT); Energy and Materials in Infrastructure and Buildings (EMIB); Social Epidemiology & Health Policy (SEHPO) |
| Abstract |
Road traffic is the most widespread environmental noise source in Europe, proven to affect human health and well-being adversely. Noise barriers can be a very effective way to objectively reduce the noise levels to which the population is exposed, leading to positive effects on noise perception and quality of life. In this paper, surveys were used to assess subjective noise level indicators (annoyance and quality of life) from residents of the vicinity of a highway where obsolete noise barriers were to be replaced. %HA before the barrier replacement was measured from the surveys (26.8%) and estimated based on the acoustic simulation and two existing exposure/response relationships (14.6 and 18.8% before and 13.6 and 8.3% after). The difference in the measured %HA to those calculated from the ERRs shows that those models might not estimate %HA fairly for small samples or particular situations where high Lden is reported. Noise annoyance correlated differently with the quality of life indicators: a weak link was observed with health problems, while a strong correlation was found with the comfort level to perform activities outdoors. Objective noise measurements gave LA,eq,(15 min.) reductions of 4.1dB(A) due to the new barrier, while in acoustics models, calculated as Lday, expected this reduction to be 5.2 dB(A). After replacing the noise barriers, a second survey could still not be distributed due to the unknown effect of the COVID-19 measures that are still active |
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978-83-7880-799-5 |
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Additional Links |
UA library record |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:181057 |
Serial |
6969 |
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Gonzalez-Quiroga, A.; Shtern, V.; Perreault, P.; Vandewalle, L.; Marin, G.B.; Van Geem, K.M. |
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Intensifying mass and heat transfer using a high-g stator-rotor vortex chamber |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Chemical Engineering And Processing |
Abbreviated Journal |
Chem Eng Process |
| Volume |
169 |
Issue |
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Pages |
108638-11 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Vortex reactors take advantage of the synergy between enhanced heat and mass transfer rates and multifunctional phenomena at different temporal and spatial scales. Proof-of-concept experiments with our novel and innovative STAtor-Rotor VOrtex Chamber (STARVOC) confirm its advantageous features for the sustainable production of chemicals and fuels. STARVOC is a high-g contactor that uses carrier flow (gas or liquid) tangential injection to drive a rotor attached to low-friction bearings. The vortex chamber inside the rotor contains a secondary phase or phases, such as a solids bed, a liquid layer, or a suspension. Carrier fluid passes through the perforated rotor wall and contacts a densely and uniformly distributed secondary phase with enhanced slip velocities. Experiments focused on pressure profiles, rotor angular velocity, and solids azimuthal velocity. With air as the carrier fluid and different solid particle beds as the secondary phase, STARVOC reached bed azimuthal velocities up to four-fold compared to those reached in Gas-Solid Vortex Units with fully static geometry. These results show its potential to improve interfacial heat and mass transfer rates and take advantage of flow energy and angular momentum. Due to its process intensification capabilities, STARVOC is a promising alternative for the state-of-the-art chemical industry. |
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000704946900008 |
Publication Date |
2021-09-17 |
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0255-2701 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.234 |
Times cited |
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Open Access |
Not_Open_Access |
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Approved |
Most recent IF: 2.234 |
| Call Number |
UA @ admin @ c:irua:181062 |
Serial |
8111 |
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Pietanza, L.D.; Guaitella, O.; Aquilanti, V.; Armenise, I.; Bogaerts, A.; Capitelli, M.; Colonna, G.; Guerra, V.; Engeln, R.; Kustova, E.; Lombardi, A.; Palazzetti, F.; Silva, T. |
| Title |
Advances in non-equilibrium $$\hbox {CO}_2$$ plasma kinetics: a theoretical and experimental review |
Type |
A1 Journal Article |
| Year |
2021 |
Publication |
European Physical Journal D |
Abbreviated Journal |
Eur Phys J D |
| Volume |
75 |
Issue |
9 |
Pages |
237 |
| Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
| Abstract |
Numerous applications have required the study of CO2 plasmas since the 1960s, from CO2 lasers to spacecraft heat shields. However, in recent years, intense research activities on the subject have restarted because of environmental problems associated with CO2 emissions. The present review provides a synthesis of the current state of knowledge on the physical chemistry of cold CO2 plasmas. In particular, the different modeling approaches implemented to address specific aspects of CO2 plasmas are presented. Throughout the paper, the importance of conducting joint experimental, theoretical and modeling studies to elucidate the complex couplings at play in CO2 plasmas is emphasized. Therefore, the experimental data that are likely to bring relevant constraints to the different modeling approaches are first reviewed. Second, the calculation of some key elementary processes obtained with semi-empirical, classical and quantum methods is presented. In order to describe the electron kinetics, the latest coherent sets of cross section satisfying the constraints of “electron swarm” analyses are introduced, and the need for self-consistent calculations for determining accurate electron energy distribution function (EEDF) is evidenced. The main findings of the latest zero-dimensional (0D) global models about the complex chemistry of CO2 and its dissociation products in different plasma discharges are then given, and full state-to-state (STS) models of only the vibrational-dissociation kinetics developed for studies of spacecraft shields are described. Finally, two important points for all applications using CO2 containing plasma are discussed: the role of surfaces in contact with the plasma, and the need for 2D/3D models to capture the main features of complex reactor geometries including effects induced by fluid dynamics on the plasma properties. In addition to bringing together the latest advances in the description of CO2 non-equilibrium plasmas, the results presented here also highlight the fundamental data that are still missing and the possible routes that still need to be investigated. |
| Address |
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| Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
000692394800001 |
Publication Date |
2021-09-01 |
| 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 |
1434-6060 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.288 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
Russian Science Foundation, project 19-11-00041 ; Marie Skłodowska-Curie Actions, grant agreement 813393 grant agreement 813393 ; H2020 Marie Skłodowska-Curie Actions, grant agreement 813393 grant agreement 813393 ; Fundação para a Ciência e a Tecnologia, UIDB/50010/2020 and UIDP/50010/2020 UIDB/50010/2020 and UIDP/50010/2020 ; Università degli Studi di Perugia, AMIS project (Dipartimenti di Eccellenza-2018-2022) Dipartimento di Chimica, Biologia e Biotecnologie (Fondo Ricerca di Base 2019 program)) ; agenzia spaziale italiana, ASI N. 2019-3-U.0 ; The work of Kustova is supported by the Russian Science Foundation, project 19-11-00041. The work of Guerra, Bogaerts, Engeln and Guaitella has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie SklodowskaCurie grant agreement No 813393, Guerra and Silva were partially funded by the Portuguese FCT – Fundação para |
Approved |
Most recent IF: 1.288 |
| Call Number |
PLASMANT @ plasmant @c:irua:181081 |
Serial |
6809 |
| Permanent link to this record |
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| Author |
Oliveira, M.C.; Yusupov, M.; Cordeiro, R.M.; Bogaerts, A. |
| Title |
Unraveling the permeation of reactive species across nitrated membranes by computer simulations |
Type |
A1 Journal Article;Reactive oxygen and nitrogen species |
| Year |
2021 |
Publication |
Computers In Biology And Medicine |
Abbreviated Journal |
Comput Biol Med |
| Volume |
136 |
Issue |
|
Pages |
104768 |
| Keywords |
A1 Journal Article;Reactive oxygen and nitrogen species; Nitro-oxidative stress; Molecular dynamics simulations; Nitrated membranes; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
| Abstract |
Reactive oxygen and nitrogen species (RONS) are involved in many biochemical processes, including nitrooxidative stress that causes cancer cell death, observed in cancer therapies such as photodynamic therapy and cold atmospheric plasma. However, their mechanisms of action and selectivity still remain elusive due to the complexity of biological cells. For example, it is not well known how RONS generated by cancer therapies permeate the cell membrane to cause nitro-oxidative damage. There are many studies dedicated to the permeation of RONS across native and oxidized membranes, but not across nitrated membranes, another lipid product also generated during nitro-oxidative stress. Herein, we performed molecular dynamics (MD) simulations to calculate the free energy barrier of RONS permeation across nitrated membranes. Our results show that hydrophilic RONS, such as hydroperoxyl radical (HO2) and peroxynitrous acid (ONOOH), have relatively low barriers compared to hydrogen peroxide (H2O2) and hydroxyl radical (HO), and are more prone to permeate the membrane than for the native or peroxidized membranes, and similar to aldehyde-oxidized membranes. Hydrophobic RONS like molecular oxygen (O2), nitrogen dioxide (NO2) and nitric oxide (NO) even have insignificant barriers for permeation. Compared to native and peroxidized membranes, nitrated membranes are more permeable, suggesting that we must not only consider oxidized membranes during nitro-oxidative stress, but also nitrated membranes, and their role in cancer therapies. |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000696938800003 |
Publication Date |
2021-08-17 |
| 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 |
0010-4825 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.836 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
We thank University of Antwerp and Coordination of Superior Level Staff Improvement (CAPES, Brazil) for the scholarship granted and for providing the computational resources needed for completion of this work. M. Yusupov acknowledges the Flanders Research Foundation (grant 1200219N) for financial support. |
Approved |
Most recent IF: 1.836 |
| Call Number |
PLASMANT @ plasmant @c:irua:181082 |
Serial |
6807 |
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| Author |
Roegiers, J. |
| Title |
Development of combined photocatalytic and active carbon fiber technology for indoor air purification based on Multiphysics models |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
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Abbreviated Journal |
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| Volume |
|
Issue |
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Pages |
XXX, 197 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Exposure to volatile organic compounds (VOCs) remains a major public health concern. Indoor VOC concentrations typically far exceed outdoor levels due to a variety of emission sources and the stringent insulation measures that are imposed today. Many attempts have been made to use photocatalysis for indoor air purification. In an ideal situation, photocatalysis is capable of complete mineralization of VOCs to H2O and CO2, without any byproduct formation. Moreover, the process can take place at standard atmospheric conditions, i.e. ambient temperature and atmospheric pressure. However, successful exploitation is still impeded due to low conversion efficiency, significant pressure loss (and hence a high energy consumption) and byproduct formation. In the first part of this thesis an attempt was made to tackles these problems by designing a novel type of photocatalytic (PCO) reactor. The PCO device consists of a cylindrical vessel filled with TiO2-coated glass tubes and equipped with UV fluorescence lamps. It was investigated in terms of fluid dynamics, coating properties, UV-light distribution and photocatalytic activity. Experimental data was later used to develop and calibrate a Multiphysics model. The model proved to be a useful tool for designing and upscaling the PCO reactor. Consequently, an optimized prototype reactor was constructed and tested according the CEN-EN-16846-1 standard for VOC removal. Although the prototype showed promising results for lab-scale conditions, it struggled with byproduct formation when purifying ppb-level VOCs. In the second part of this thesis, activated carbon adsorption was investigated in order to combine it with photocatalysis. Activated carbon fiber was opted for its fast kinetics, high adsorption capacity and thermo-electrical regeneration. The filter was studied in detail regarding the adsorption of polar and apolar VOCs at indoor air concentration levels and regeneration capabilities. Experimental data was used to develop a Multiphysics model for activated carbon adsorption as well. Consequently, a novel type of ACF filter was developed using the Multiphysics model, which was equipped with electrodes in the tips of the pleats for effective thermal regeneration. In the last part, the combination of both ACF and PCO was studied using a realistic case study. Based on the Multiphysics model, the feasibility of a so-called hybrid air purification device could be investigated. The Multiphysics model shows promising results for this hybrid PCO-ACF system and hence, a demo setup was constructed for future research. |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:181137 |
Serial |
6860 |
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| Author |
Pedrazo Tardajos, A. |
| Title |
Advanced graphene supports for 3D in situ transmission electron microscopy |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
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Abbreviated Journal |
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| Volume |
|
Issue |
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Pages |
247 p. |
| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
| Abstract |
Transmission electron microscopy (TEM) is an ideal tool to investigate nanomaterials. The information from TEM experiments allows us to link the structure and composition of nanomaterials to their intrinsic physical properties. However, despite the significant evolution of the TEM field during the last two decades, major progress is still possible through the development of optimal TEM techniques and supports. The results presented in this thesis focus on the optimization of sample supports and their application. Among the different options, graphene has previously been reported as useful sample support for electron microscopy due to its unparalleled properties, for example, it is the thinnest known support and provides a protective effect to the sample under investigation. Unfortunately, commercial graphene grids show poor quality, in terms of intactness and cleanness, inhibiting their wide application within the field. Therefore, this thesis focuses on the application of optimized graphene TEM grids, obtained by transferring high quality graphene using an advanced procedure. This improvement on the transfer has enabled the visualization of materials with low contrast and high sensitivity towards the electron beam, such as surface ligands capping gold nanoparticles or metal halide perovskites. Furthermore, the implemented protocol is not only of interest for conventional TEM grids but also a major benefit for in situ TEM studies, where the sample is investigated in real time under certain stimuli. Hence, the same graphene transfer technology can be also applied to advanced in situ MEMS holders dedicated for both heating and gas experiments, where the thickness and insulating nature of the silicon nitride (Si3N4) support may hamper some applications. By engineering periodic arrays of holes in their Si3N4 membrane by focused ion beam, onto which the graphene is transferred, it has been possible to get proof-of-concept 3D in situ investigations of heat-induced morphological and compositional transformations of complex nanosystems. As an example, it has enabled the investigation of the possible phase-transition of metal halide perovskites upon heating using 2D and 3D structural characterization. Moreover, it has allowed the study of in situ three-dimensional nanoparticle dynamics during gas phase catalysis as well as the first steps that would lead towards the design and creation of the first Graphene Gas Cell. Consequently, implementation of the advanced graphene transfer technology described in this thesis is envisaged to impact a broad range of future experiments. |
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Series Issue |
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Edition |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:181143 |
Serial |
6836 |
| Permanent link to this record |
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| Author |
Van Tendeloo, M.; Xie, Y.; Van Beeck, W.; Zhu, W.; Lebeer, S.; Vlaeminck, S.E. |
| Title |
Oxygen control and stressor treatments for complete and long-term suppression of nitrite-oxidizing bacteria in biofilm-based partial nitritation/anammox |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Bioresource Technology |
Abbreviated Journal |
Bioresource Technol |
| Volume |
342 |
Issue |
|
Pages |
125996 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Mainstream nitrogen removal by partial nitritation/anammox (PN/A) can realize energy and cost savings for sewage treatment. Selective suppression of nitrite oxidizing bacteria (NOB) remains a key bottleneck for PN/A implementation. A rotating biological contactor was studied with an overhead cover and controlled air/N2 inflow to regulate oxygen availability at 20 °C. Biofilm exposure to dissolved oxygen concentrations < 0.51 ± 0.04 mg O2 L-1 when submerged in the water and < 1.41 ± 0.31 mg O2 L-1 when emerged in the headspace (estimated), resulted in complete and long-term NOB suppression with a low relative nitrate production ratio of 10 ± 4%. Additionally, weekly biofilm stressor treatments with free ammonia (FA) (29 ± 1 mg NH3-N L-1 for 3 h) could improve the NOB suppression while free nitrous acid treatments had insufficient effect. This study demonstrated the potential of managing NOB suppression in biofilm-based systems by oxygen control and recurrent FA exposure, opening opportunities for resource efficient nitrogen removal. |
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Thesis |
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Place of Publication |
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Wos |
000704455300005 |
Publication Date |
2021-09-21 |
| 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 |
0960-8524 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.651 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 5.651 |
| Call Number |
UA @ admin @ c:irua:181301 |
Serial |
8355 |
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| Author |
Parrilla, M.; De Wael, K. |
| Title |
Wearable self‐powered electrochemical devices for continuous health management |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Advanced Functional Materials |
Abbreviated Journal |
Adv Funct Mater |
| Volume |
31 |
Issue |
50 |
Pages |
2107042 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
The wearable revolution is already present in society through numerous gadgets. However, the contest remains in fully deployable wearable (bio)chemical sensing. Its use is constrained by the energy consumption which is provided by miniaturized batteries, limiting the autonomy of the device. Hence, the combination of materials and engineering efforts to develop sustainable energy management is paramount in the next generation of wearable self-powered electrochemical devices (WeSPEDs). In this direction, this review highlights for the first time the incorporation of innovative energy harvesting technologies with top-notch wearable self-powered sensors and low-powered electrochemical sensors toward battery-free and self-sustainable devices for health and wellbeing management. First, current elements such as wearable designs, electrochemical sensors, energy harvesters and storage, and user interfaces that conform WeSPEDs are depicted. Importantly, the bottlenecks in the development of WeSPEDs from an analytical perspective, product side, and power needs are carefully addressed. Subsequently, energy harvesting opportunities to power wearable electrochemical sensors are discussed. Finally, key findings that will enable the next generation of wearable devices are proposed. Overall, this review aims to bring new strategies for an energy-balanced deployment of WeSPEDs for successful monitoring of (bio)chemical parameters of the body toward personalized, predictive, and importantly, preventive healthcare. |
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Place of Publication |
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Wos |
000694642500001 |
Publication Date |
2021-09-09 |
| 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 |
1616-301x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.124 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 12.124 |
| Call Number |
UA @ admin @ c:irua:181306 |
Serial |
8750 |
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| Author |
Parrilla, M.; Joosten, F.; De Wael, K. |
| Title |
Enhanced electrochemical detection of illicit drugs in oral fluid by the use of surfactant-mediated solution |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Sensors And Actuators B-Chemical |
Abbreviated Journal |
Sensor Actuat B-Chem |
| Volume |
348 |
Issue |
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Pages |
130659 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
Illicit drug consumption is a worldwide worrying phenomenon that troubles modern society. For this reason, law enforcement agencies (LEAs) are placing tremendous efforts into tackling the spreading of such substances among our community. New sensing technologies can facilitate the LEAs duties by providing portable and affordable analytical devices. Herein, we present for the first time a sensitive and low-cost electrochemical method, i.e. square-wave adsorptive stripping voltammetry on carbon screen-printed electrodes (SPE), for the detection of five illicit drugs (i.e. cocaine, heroin, 3,4-methylenedioxymethamphetamine, 4-chloro-alpha-pyrrolidinovalerophenone, and ketamine) in oral fluid by the aid of a surfactant. Particularly, the surfactant is adsorbed at the carbon electrode’s surface and yields the adsorption of illicit drug molecules, allowing for an enhanced electrochemical signal in comparison to surfactant-free media. First, the surfactant-mediated behavior is deeply explored at the SPE by cyclic voltammetry, electrochemical impedance spectroscopy, and Fourier-transform infrared spectroscopy. Subsequently, the electrochemical behavior of the five illicit drugs is studied and optimized to render optimal analytical performance. Accordingly, the analytical system exhibited a wide linear concentration range from 1 to 30 µM with sub-micromolar limits of detection and high sensitivity. This performance is similar to other reported electrochemical sensors, but with the advantage of using an unmodified SPE, thus avoiding costly and complex functionalization of the SPE. Finally, the methodology was evaluated in diluted oral fluid samples spiked with illicit drugs. Overall, this work describes a simple, rapid, portable, and sensitive method for the detection of illicit drugs aiming to provide oral fluid testing opportunities to LEAs. |
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Wos |
000701915600005 |
Publication Date |
2021-08-27 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
0925-4005 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.401 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: 5.401 |
| Call Number |
UA @ admin @ c:irua:181307 |
Serial |
7912 |
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| Author |
Van Loenhout, J. |
| Title |
Targeting pancreatic ductal adenocarcinoma and glioblastoma with oxidative stress-mediated treatment strategies : focus on tumor cell death and modulation of the tumor microenvironment |
Type |
Doctoral thesis |
| Year |
2021 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
167 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE) |
| Abstract |
Pancreatic ductal adenocarcinoma (PDAC) and glioblastoma multiforme (GBM) are two of the most malignant solid tumor types with poor survival rates, which underscore the urgency of novel and efficacious treatment strategies. Within the last decade, immunotherapy has been established as a breakthrough in cancer therapy. This mainly has been driven by the clinical data and approval associated with several immune checkpoint inhibitors (e.g. anti-CTLA-4 and anti-PD-1/L1). Despite the clinical benefit in specific tumor types, these inhibitors have not yet fulfilled their promise in low immunogenic tumors such as PDAC and GBM. Oxidative stress in cancer cells due to elevated reactive oxygen species (ROS) and an inability to balance intracellular redox state has recently been highlighted as promising target for anticancer treatment strategies with possible immunogenic effects. In this PhD dissertation, I investigated novel oxidative stress-mediated treatment approaches to target PDAC and GBM and to enhance immunogenicity by inducing immunogenic cell death (ICD). In the first part of this thesis (chapter 2), I reviewed the mechanistic responses of cancer cells towards different oxidative stress-inducing treatment strategies and their immunomodulating effects. The resulting literature demonstrated that different exogenous and endogenous ROS-inducing therapies show direct and indirect immunomodulating effects, which can be either immunostimulatory or immunosuppressive. One of the indirect immunostimulatory effects of the ROS-mediating therapies is the capacity of inducing immunogenic cell death (ICD) in tumor cells, which can increase the immunogenicity and consequently can trigger an antitumoral immune response. In chapter 3, I investigated a novel exogenous ROS-inducing treatment method, namely cold atmospheric plasma, to determine the therapeutic and ICD-inducing effects in PDAC, in vitro. I revealed that plasma-treated PBS (pPBS) has the potential to induce ICD in pancreatic cancer cells (PCCs) and to reduce the immunosuppressive tumor microenvironment (TME) by attacking the tumor supportive pancreatic stellate cells (PSCs). Although the cell death induced in PSCs was non-immunogenic as seen by the lack of danger-associated molecular patterns (DAMPs) emission and DC activation, I showed that pPBS could disrupt the physical barrier and lower the immunosuppressive secretion profile (lower TGF-β) of PSCs. In contrast, DAMPs were released by PCCs after treatment with pPBS which resulted in activation and maturation of DCs and a more immunostimulatory secretion profile (higher TNF-α, IFN-γ). Hence, indirect plasma treatment via pPBS has the potential to enhance immunogenicity in PDAC by triggering ICD and by attacking the immunosuppressive PSCs. Tumor cells can evolve adaptation mechanisms to protect themselves against intrinsic oxidative stress by upregulation of pro-survival molecules and their antioxidant defense system to maintain the redox balance. As such, tumor cells can become resistant towards exogenous ROS-inducing therapies, like plasma. Dual targeting of the redox balance of tumor cells by increasing exogenous levels of ROS and inhibiting the antioxidant defense system can maximally exploit ROS-mediated cell death mechanisms as therapeutic anticancer strategy. In this regard, cold atmospheric plasma was combined with auranofin, a thioredoxin reductase inhibitor, in GBM (chapter 4). A synergistic effect was shown after this combination treatment in 2D and 3D, however, in 3D only high concentrations of auranofin synergized with plasma treatment. I confirmed a ROS-mediated response after combination treatment, which was able to induce distinct cell death mechanisms, specifically apoptosis and ferroptosis. Additionally, the auranofin and plasma combined treatment strategy induced cell death, which resulted in an increased release of DAMPs. Together with the observed DC maturation, these results indicates the potential increase in immunogenicity, though, the phagocytotic capacity of DCs was inhibited by auranofin. In chapter 5, I evaluated this promising oxidative stress combination therapy in GBM, in vivo. A decrease in tumor kinetics and an increased survival in GBM-bearing mice was observed when auranofin was sequentially combined with direct plasma treatment. No T cell infiltration was observed after auranofin monotherapy. However, further characterization of the TME after the combination therapy is necessary to provide more insight in the immunogenic effects in vivo. In conclusion, this PhD dissertation comprises novel and important therapeutic and immunogenic insights in cold atmospheric plasma and auranofin as promising oxidative stress-mediated treatment strategies for low immunogenic tumors, like PDAC and GBM. These preclinical results provide a solid basis for future research towards combinations with immunotherapeutic approaches. |
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UA library record |
| Impact Factor |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:181309 |
Serial |
8643 |
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| Author |
De wael, A.; De Backer, A.; Lobato, I.; Van Aert, S. |
| Title |
Modelling ADF STEM images using elliptical Gaussian peaks and its effects on the quantification of structure parameters in the presence of sample tilt |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
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Issue |
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Pages |
113391 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A small sample tilt away from a main zone axis orientation results in an elongation of the atomic columns in ADF STEM images. An often posed research question is therefore whether the ADF STEM image intensities of tilted nanomaterials should be quantified using a parametric imaging model consisting of elliptical rather than the currently used symmetrical peaks. To this purpose, simulated ADF STEM images corresponding to different amounts of sample tilt are studied using a parametric imaging model that consists of superimposed 2D elliptical Gaussian peaks on the one hand and symmetrical Gaussian peaks on the other hand. We investigate the quantification of structural parameters such as atomic column positions and scattering cross sections using both parametric imaging models. In this manner, we quantitatively study what can be gained from this elliptical model for quantitative ADF STEM, despite the increased parameter space and computational effort. Although a qualitative improvement can be achieved, no significant quantitative improvement in the estimated structure parameters is achieved by the elliptical model as compared to the symmetrical model. The decrease in scattering cross sections with increasing sample tilt is even identical for both types of parametric imaging models. This impedes direct comparison with zone axis image simulations. Nonetheless, we demonstrate how reliable atom-counting can still be achieved in the presence of small sample tilt. |
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Wos |
000704334200001 |
Publication Date |
2021-09-24 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 770887 and No. 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through grants to A.D.w. and A.D.B. and projects G.0502.18N, G.0267.18N, and EOS 30489208. S.V.A. acknowledges TOP BOF funding from the University of Antwerp.; esteem3JRA; esteem3reported |
Approved |
Most recent IF: 2.843 |
| Call Number |
EMAT @ emat @c:irua:181462 |
Serial |
6810 |
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| Author |
Liang, Q.; Yang, D.; Xia, F.; Bai, H.; Peng, H.; Yu, R.; Yan, Y.; He, D.; Cao, S.; Van Tendeloo, G.; Li, G.; Zhang, Q.; Tang, X.; Wu, J. |
| Title |
Phase-transformation-induced giant deformation in thermoelectric Ag₂Se semiconductor |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Advanced Functional Materials |
Abbreviated Journal |
Adv Funct Mater |
| Volume |
|
Issue |
|
Pages |
2106938 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
In most semiconducting metal chalcogenides, a large deformation is usually accompanied by a phase transformation, while the deformation mechanism remains largely unexplored. Herein, a phase-transformation-induced deformation in Ag2Se is investigated by in situ transmission electron microscopy, and a new ordered high-temperature phase (named as alpha '-Ag2Se) is identified. The Se-Se bonds are folded when the Ag+-ion vacancies are ordered and become stretched when these vacancies are disordered. Such a stretch/fold of the Se-Se bonds enables a fast and large deformation occurring during the phase transition. Meanwhile, the different Se-Se bonding states in alpha-, alpha '-, beta-Ag2Se phases lead to the formation of a large number of nanoslabs and the high concentration of dislocations at the interface, which flexibly accommodate the strain caused by the phase transformation. This study reveals the atomic mechanism of the deformation in Ag2Se inorganic semiconductors during the phase transition, which also provides inspiration for understanding the phase transition process in other functional materials. |
| 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 |
000695142800001 |
Publication Date |
2021-09-13 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1616-301x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.124 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 12.124 |
| Call Number |
UA @ admin @ c:irua:181527 |
Serial |
6879 |
| Permanent link to this record |
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| |
| Author |
Penders, A.; Konstantinovic, M.J.; Van Renterghem, W.; Bosch, R.W.; Schryvers, D. |
| Title |
TEM investigation of SCC crack tips in high Si stainless steel tapered specimens |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Corrosion Engineering Science And Technology |
Abbreviated Journal |
Corros Eng Sci Techn |
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
The stress corrosion cracking (SCC) mechanism is investigated in high Si duplex stainless steel in a simulated PWR environment based on TEM analysis of FIB-extracted SCC crack tips. The microstructural investigation in the near vicinity of SCC crack tips illustrates a strain-rate dependence in SCC mechanisms. Detailed analysis of the crack tip morphology, that includes crack tip oxidation and surrounding deformation field, indicates the existence of an interplay between corrosion- and deformation-driven failure as a function of the strain rate. Slow strain-rate crack tips exhibit a narrow cleavage failure which can be linked to the film-induced failure mechanism, while rounded shaped crack tips for faster strain rates could be related to the strain-induced failure. As a result, two nominal strain-rate-dependent failure regimes dominated either by corrosion or deformation-driven cracking mechanisms can be distinguished. |
| 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 |
000695956400001 |
Publication Date |
2021-09-14 |
| 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 |
|
| ISSN |
1478-422x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
0.879 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 0.879 |
| Call Number |
UA @ admin @ c:irua:181533 |
Serial |
6892 |
| Permanent link to this record |
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| |
| Author |
Nematollahi, P.; Ma, H.; Schneider, W.F.; Neyts, E.C. |
| Title |
DFT and microkinetic comparison of ru-doped porphyrin-like graphene and nanotubes toward catalytic formic acid decomposition and formation |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
| Volume |
125 |
Issue |
34 |
Pages |
18673-18683 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Immobilization of single metal atoms on a solid host opens numerous possibilities for catalyst designs. If that host is a two-dimensional sheet, sheet curvature becomes a design parameter potentially complementary to host and metal composition. Here, we use a combination of density functional theory calculations and microkinetic modeling to compare the mechanisms and kinetics of formic acid decomposition and formation, chosen for their relevance as a potential hydrogen storage medium, over single Ru atoms anchored to pyridinic nitrogen in a planar graphene flake (RuN4-G) and curved carbon nanotube (RuN4-CNT). Activation barriers are lowered and the predicted turnover frequencies are increased over RuN4-CNT relative to RuN4-CNT. The results highlight the potential of curvature control as a means to achieve high performance and robust catalysts. |
| 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 |
000693413400013 |
Publication Date |
2021-08-22 |
| 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 |
1932-7447; 1932-7455 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 4.536 |
| Call Number |
UA @ admin @ c:irua:181538 |
Serial |
7805 |
| Permanent link to this record |
