| Records |
| Author |
Heijkers, S. |
| Title |
Plasma chemistry modelling for CO2 and CH4 conversion in various plasma types |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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Volume  |
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Issue |
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Pages |
316 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Open Access |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:168055 |
Serial |
6582 |
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| Author |
Eliaerts, J. |
| Title |
Qualitative and quantitative determination of cocaine using mid-infrared spectroscopy and chemometrics |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
184 p. |
| Keywords |
Doctoral thesis; Law; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:169398 |
Serial |
6589 |
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| Author |
Pacquets, L.; Irtem, E.; Neukermans, S.; Daems, N.; Bals, S.; Breugelmans, T. |
| Title |
Size-controlled electrodeposition of Cu nanoparticles on gas diffusion electrodes in methanesulfonic acid solution |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Applied Electrochemistry |
Abbreviated Journal |
J Appl Electrochem |
| Volume |
51 |
Issue |
2 |
Pages |
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| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
| Abstract |
In this paper electrodeposition is used to obtain Cu nanoparticles, as it allows good control over particle size and distribution. These Cu particles were deposited onto a gas diffusion electrode which increased the resulting surface area. Prior to deposition, the surface was pre-treated with NaOH, HNO3, MQ and TX100 to investigate the influence on the electrodeposition of Cu on the gas diffusion electrode (GDE). When using HNO3, the smallest particles with the most homogeneous distribution and high particle roughness were obtained. Once the optimal substrate was determined, we further demonstrated that by altering the electrodeposition parameters, the particle size and density could be tuned. On the one hand, increasing the nucleation potential led to a higher particle density resulting in smaller particles because of an increased competition between particles. Finally, the Cu particle size increased when applying a greater growth charge and growth potential. This fundamental study thus opens up a path towards the synthesis of supported Cu materials with increased surface areas, which is interesting from a catalytic point of view. Larger surface areas are generally correlated with a better catalyst performance and thus higher product yields. This research can contributed in obtaining new insides into the deposition of metallic nanoparticles on rough surfaces. [GRAPHICS] . |
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Wos |
000568651000001 |
Publication Date |
2020-09-12 |
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Series Issue |
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Edition |
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| ISSN |
0021-891x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.9 |
Times cited |
3 |
Open Access |
OpenAccess |
| Notes |
; L. Pacquets was supported through a PhD fellowship strategic basic research (1S56918N) of the Research Foundation-Flanders (FWO). N. Daems was supported through a postdoctoral fellowship (12Y3919N-ND) of the Research Foundation-Flanders (FWO). S. Neukermans was supported through an FWO project grant (G093317N). This research was financed by the research counsel of the university of Antwerp (BOF-GOA 33928). The authors recognize the contribution of Thomas Kenis for analytical validation and methodology. ; |
Approved |
Most recent IF: 2.9; 2020 IF: 2.235 |
| Call Number |
UA @ admin @ c:irua:171588 |
Serial |
6603 |
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| Author |
Ravindra, K.; Dirtu, A.C.; Mor, S.; Wauters, E.; Van Grieken, R. |
| Title |
Source apportionment and seasonal variation in particulate PAHs levels at a coastal site in Belgium |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Environmental Science And Pollution Research |
Abbreviated Journal |
Environ Sci Pollut R |
| Volume |
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Issue |
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Pages |
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| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
In the present study, estimation of the atmospheric polycyclic aromatic hydrocarbons (PAHs) was done in particulate samples collected from De Haan, Belgium, during different seasons. The sampling site was situated very close to the north sea and far from the influence of local or industrial activities. The levels of PAHs depicted a distinct seasonal trend, being highest during the spring season. The observations of the study indicated a mean value of 2.6 ng m(-3) for concentration of all the 16 US EPA PAHs, thus being significantly lower when compared to results of previous studies focused on other sites. The dominating PAHs species reported were naphthalene, fluoranthene, benzo[a]anthracene, chrysene, and indeno[1,2,3c,d] pyrene. Assessment of the seasonal variation of the PAH levels was also done with respect to diagnostic ratio-based source identification, analysis of back trajectories, and principle component analysis. Burning of fossil fuels was observed to be the prominent source of atmospheric PAHs in the study area. Further, lifetime cancer risk assessment was performed to assess the detrimental health impacts on humans on being exposed to atmospheric PAHs. Particulate PAHs present in the ambient air of Belgium shows no carcinogenic health impacts. However, considering the industrial expansion in the region, efforts are required to prevent the environmental contamination of PAHs. |
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Wos |
000516395800002 |
Publication Date |
2020-02-15 |
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Edition |
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| ISSN |
0944-1344; 1614-7499 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.8 |
Times cited |
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Open Access |
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| Notes |
; ; |
Approved |
Most recent IF: 5.8; 2020 IF: 2.741 |
| Call Number |
UA @ admin @ c:irua:167778 |
Serial |
6606 |
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| Author |
Vanherck, J. |
| Title |
Spontaneous and induced magnetisation in two-dimensional and bulk Heisenberg ferromagnets : a quantum mechanical treatment |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
160 p. |
| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:171875 |
Serial |
6612 |
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| Author |
Chen, B.; Gauquelin, N.; Jannis, D.; Cunha, D.M.; Halisdemir, U.; Piamonteze, C.; Lee, J.H.; Belhadi, J.; Eltes, F.; Abel, S.; Jovanovic, Z.; Spreitzer, M.; Fompeyrine, J.; Verbeeck, J.; Bibes, M.; Huijben, M.; Rijnders, G.; Koster, G. |
| Title |
Strain-engineered metal-to-insulator transition and orbital polarization in nickelate superlattices integrated on silicon |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Advanced Materials |
Abbreviated Journal |
Adv Mater |
| Volume |
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Issue |
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Pages |
2004995 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Epitaxial growth of SrTiO3 (STO) on silicon greatly accelerates the monolithic integration of multifunctional oxides into the mainstream semiconductor electronics. However, oxide superlattices (SLs), the birthplace of many exciting discoveries, remain largely unexplored on silicon. In this work, LaNiO3/LaFeO3 SLs are synthesized on STO-buffered silicon (Si/STO) and STO single-crystal substrates, and their electronic properties are compared using dc transport and X-ray absorption spectroscopy. Both sets of SLs show a similar thickness-driven metal-to-insulator transition, albeit with resistivity and transition temperature modified by the different amounts of strain. In particular, the large tensile strain promotes a pronounced Ni 3dx2-y2 orbital polarization for the SL grown on Si/STO, comparable to that reported for LaNiO3 SL epitaxially strained to DyScO3 substrate. Those results illustrate the ability to integrate oxide SLs on silicon with structure and property approaching their counterparts grown on STO single crystal, and also open up new prospects of strain engineering in functional oxides based on the Si platform. |
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Wos |
000588146500001 |
Publication Date |
2020-11-11 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
0935-9648 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
29.4 |
Times cited |
18 |
Open Access |
OpenAccess |
| Notes |
; This work is supported by the international M-ERA.NET project SIOX (project 4288) and H2020 project ULPEC (project 732642). M.S. acknowledges funding from Slovenian Research Agency (Grants No. J2-9237 and No. P2-0091). This work received support from the ERC CoG MINT (#615759) and from a PHC Van Gogh grant. M.B. thanks the French Academy of Science and the Royal Netherlands Academy of Arts and Sciences for supporting his stays in the Netherlands. This project has received funding as a transnational access project from the European Union's Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3. N.G. and J.V. acknowledge GOA project “Solarpaint” of the University of Antwerp. ; esteem3TA; esteem3reported |
Approved |
Most recent IF: 29.4; 2020 IF: 19.791 |
| Call Number |
UA @ admin @ c:irua:173516 |
Serial |
6617 |
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| Author |
Hendrickx, M. |
| Title |
Study of the effect of cation substitution on the local structure and the properties of perovskites and Li-ion battery cathode materials |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
208 p. |
| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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UA library record |
| Impact Factor |
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Open Access |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:173128 |
Serial |
6618 |
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| Author |
Milagres de Oliveira, T. |
| Title |
Three-dimensional characterisation of nanomaterials : from model-like systems to real nanostructures |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
230 p. |
| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Additional Links |
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:170020 |
Serial |
6627 |
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| Author |
Vanrompay, H. |
| Title |
Toward fast and dose efficient electron tomography |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
207 p. |
| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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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:169852 |
Serial |
6632 |
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| Author |
Wang, H.S.; Chen, L.; Elibol, K.; He, L.; Wang, H.; Chen, C.; Jiang, C.; Li, C.; Wu, T.; Cong, C.X.; Pennycook, T.J.; Argentero, G.; Zhang, D.; Watanabe, K.; Taniguchi, T.; Wei, W.; Yuan, Q.; Meyer, J.C.; Xie, X. |
| Title |
Towards chirality control of graphene nanoribbons embedded in hexagonal boron nitride |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Nature Materials |
Abbreviated Journal |
Nat Mater |
| Volume |
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Issue |
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Pages |
1-10 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Oriented trenches are created in h-BN using different catalysts, and used as templates to grow seamlessly integrated armchair and zigzag graphene nanoribbons with chirality-dependent electrical and magnetic conductance properties. The integrated in-plane growth of graphene nanoribbons (GNRs) and hexagonal boron nitride (h-BN) could provide a promising route to achieve integrated circuitry of atomic thickness. However, fabrication of edge-specific GNRs in the lattice of h-BN still remains a significant challenge. Here we developed a two-step growth method and successfully achieved sub-5-nm-wide zigzag and armchair GNRs embedded in h-BN. Further transport measurements reveal that the sub-7-nm-wide zigzag GNRs exhibit openings of the bandgap inversely proportional to their width, while narrow armchair GNRs exhibit some fluctuation in the bandgap-width relationship. An obvious conductance peak is observed in the transfer curves of 8- to 10-nm-wide zigzag GNRs, while it is absent in most armchair GNRs. Zigzag GNRs exhibit a small magnetic conductance, while armchair GNRs have much higher magnetic conductance values. This integrated lateral growth of edge-specific GNRs in h-BN provides a promising route to achieve intricate nanoscale circuits. |
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Wos |
000571692500001 |
Publication Date |
2020-09-21 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1476-1122; 1476-4660 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
41.2 |
Times cited |
3 |
Open Access |
Not_Open_Access |
| Notes |
; H.W. and X.X. thank J.H. Edgar (Kansas State University, USA) for supplying the partial h-BN crystals. H. S. Wang, L. Chen and H. Wang thank M. Liu, X. Qiu and J. Pan from NCNT of China, F. Liou, H. Tsai, M. Crommie from UCB, USA, J. Xue and P. Yu from ShanghaiTech University and S. Wang from SJTU for nc-AFM measurement. H. S. Wang, L. Chen and H. Wang thank B. Sun and S. Li from Hunan University for the fusion of the STEM image and the electron energy loss spectroscopy mapping images. Funding: The work was partially supported by the National Key R&D program (Grant No. 2017YFF0206106), the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB30000000), the National Science Foundation of China (Grant No. 51772317, 51302096, 61774040, 91964102), the Science and Technology Commission of Shanghai Municipality (Grant No. 16ZR1442700, 16ZR1402500 18511110700), Shanghai Rising-Star Program (A type) (Grant No.18QA1404800), the Hubei Provincial Natural Science Foundation of China (Grant No. ZRMS2017000370), China Postdoctoral Science Foundation (Grant No. 2017M621563, 2018T110415), and the Fundamental Research Funds of Wuhan City (No. 2016060101010075). C.L. acknowledges support from the European Union's Horizon 2020 research and innovation programme under the Marie Skodowska-Curie grants No. 656378 – Interfacial Reactions. T.J.P. acknowledges funding from European Union's Horizon 2020 Research and Innovation Programme under the Marie Sklodowska-Curie grant agreement no. 655760-DIGIPHASE. K.W. and T.T. acknowledge support from the Elemental Strategy Initiative conducted by the MEXT, Japan and the CREST (JPMJCR15F3), JST. C.X.C. acknowledges financial support from the National Young 1000 Talent Plan of China and the National Key R&D Program of China (No. 2018YFA0703700). L.H. acknowledges financial support from the programme of China Scholarships Council (No. 201706160037). ; |
Approved |
Most recent IF: 41.2; 2020 IF: 39.737 |
| Call Number |
UA @ admin @ c:irua:171944 |
Serial |
6633 |
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| Author |
Hollevoet, L.; Jardali, F.; Gorbanev, Y.; Creel, J.; Bogaerts, A.; Martens, J.A. |
| Title |
Towards green ammonia synthesis through plasma-driven nitrogen oxidation and catalytic reduction |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Angewandte Chemie-International Edition |
Abbreviated Journal |
Angew Chem Int Edit |
| Volume |
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Issue |
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Pages |
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| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Ammonia is an industrial large-volume chemical, with its main application in fertilizer production. It also attracts increasing attention as a green-energy vector. Over the past century, ammonia production has been dominated by the Haber-Bosch process, in which a mixture of nitrogen and hydrogen gas is converted to ammonia at high temperatures and pressures. Haber-Bosch processes with natural gas as the source of hydrogen are responsible for a significant share of the global CO(2)emissions. Processes involving plasma are currently being investigated as an alternative for decentralized ammonia production powered by renewable energy sources. In this work, we present the PNOCRA process (plasma nitrogen oxidation and catalytic reduction to ammonia), combining plasma-assisted nitrogen oxidation and lean NO(x)trap technology, adopted from diesel-engine exhaust gas aftertreatment technology. PNOCRA achieves an energy requirement of 4.6 MJ mol(-1)NH(3), which is more than four times less than the state-of-the-art plasma-enabled ammonia synthesis from N(2)and H(2)with reasonable yield (>1 %). |
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000580489400001 |
Publication Date |
2020-09-21 |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1433-7851; 0570-0833 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
16.6 |
Times cited |
1 |
Open Access |
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| Notes |
; We gratefully acknowledge the financial support by the Flemish Government through the Moonshot cSBO project P2C (HBC.2019.0108). J.A.M. and A.B. acknowledge the Flemish Government for long-term structural funding (Methusalem). ; |
Approved |
Most recent IF: 16.6; 2020 IF: 11.994 |
| Call Number |
UA @ admin @ c:irua:173589 |
Serial |
6634 |
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| Author |
Van Loon, J.; De Jong, M.; De Wael, K.; Du Bois, E. |
| Title |
Transposing testing from lab to on-site environment : a case of cocaine powder sampling |
Type |
P3 Proceeding |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
P3 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Product development |
| Abstract |
This paper reports on the transition process to convert a specific lab technique to the on-site, real-life environment. Bringing a lab test to an on-site environment involves many difficulties regarding to the context, people skills and environmental support. Within this project, a case about sampling for an electrochemical measurement, was investigated as a basis to reason upon some general conclusions related to the process of transposing lab-tests to an on-site environment. The current lab test was analysed and compared with a focus group discussion with future users. Based on the findings, assumptions for the new sampling technique in the specific case were formulated. New low-tech methods to achieve the sampling were extensively tested and verified. Starting from this chosen case an argumentation was set up to generalise the conclusions, by reasoning on other cases of products that already passed this transition to the field. Based on a comparison, we could discuss that the selected parameters related to impact of the context environment, of the people that should handle the tests, related to the reasons for transposing the technology, and related to the technology that will be transposed to the on-site environment, were of importance of almost all cases and can therefore be considered as context-independent and related to the transfer to on-site testing. |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISBN |
978-94-6384-131-3 |
Additional Links |
UA library record |
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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:169896 |
Serial |
6637 |
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| Author |
Pourbabak, S.; Orekhov, A.; Schryvers, D. |
| Title |
Twin-jet electropolishing for damage-free transmission electron microscopy specimen preparation of metallic microwires |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Microscopy Research And Technique |
Abbreviated Journal |
Microsc Res Techniq |
| Volume |
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Issue |
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Pages |
1-7 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A method to prepare TEM specimens from metallic microwires and based on conventional twin-jet electropolishing is introduced. The wire is embedded in an opaque epoxy resin medium and the hardened resin is mechanically polished to reveal the wire on both sides. The resin containing wire is then cut into discs of the appropriate size. The obtained embedded wire is electropolished in a conventional twin-jet electropolishing machine until electron transparency in large areas without radiation damage is achieved. |
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Thesis |
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Place of Publication |
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Wos |
000567944200001 |
Publication Date |
2020-09-28 |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1059-910x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.5 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
; Fonds Wetenschappelijk Onderzoek, Grant/Award Number: G.0366.15N ; |
Approved |
Most recent IF: 2.5; 2020 IF: 1.147 |
| Call Number |
UA @ admin @ c:irua:171969 |
Serial |
6642 |
| Permanent link to this record |
| |
|
| |
| Author |
Moro, G.; Barich, H.; Driesen, K.; Montiel, N.F.; Neven, L.; Mendonca, C.D.; Thiruvottriyur Shanmugam, S.; Daems, E.; De Wael, K. |
| Title |
Unlocking the full power of electrochemical fingerprinting for on-site sensing applications |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Analytical And Bioanalytical Chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
| Volume |
|
Issue |
|
Pages |
1-14 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Electrochemical sensing for the semi-quantitative detection of biomarkers, drugs, environmental contaminants, food additives, etc. shows promising results in point-of-care diagnostics and on-site monitoring. More specifically, electrochemical fingerprint (EF)-based sensing strategies are considered an inviting approach for the on-site detection of low molecular weight molecules. The fast growth of electrochemical sensors requires defining the concept of direct electrochemical fingerprinting in sensing. The EF can be defined as the unique electrochemical signal or pattern, mostly recorded by voltammetric techniques, specific for a certain molecule that can be used for its quantitative or semi-quantitative identification in a given analytical context with specified circumstances. The performance of EF-based sensors can be enhanced by considering multiple features of the signal (i.e., oxidation or reduction patterns), in combination with statistical data analysis or sample pretreatments or by including electrode surface modifiers to enrich the EF. In this manuscript, some examples of EF-based sensors, strategies to improve their performances, and open challenges are discussed to unlock the full power of electrochemical fingerprinting for on-site sensing applications. |
| 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 |
000523396300002 |
Publication Date |
2020-04-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1618-2642 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.3 |
Times cited |
3 |
Open Access |
|
| Notes |
; The presented review is the result of a concerted effort and fruitful discussions among enthusiastic, young, and (for the occasion) female researchers of the AXES research group, each of them with specific expertise and background, under the guidance of the corresponding author. The authors acknowledge FWO-Flanders, BOF-UA, IOF-UA, FAPESP and EU for funding. ; |
Approved |
Most recent IF: 4.3; 2020 IF: 3.431 |
| Call Number |
UA @ admin @ c:irua:168563 |
Serial |
6647 |
| Permanent link to this record |
| |
|
| |
| Author |
Bafekry, A.; Yagmurcukardes, M.; Akgenc, B.; Ghergherehchi, M.; Nguyen, C. |
| Title |
Van der Waals heterostructures of MoS₂ and Janus MoSSe monolayers on graphitic boron-carbon-nitride (BC₃, C₃N, C₃N₄ and C₄N₃) nanosheets: a first-principles study |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
|
Issue |
|
Pages |
1-10 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In this work, we extensively investigate the structural and electronic properties of van der Waals heterostructures (HTs) constructed by MoS${2}$/$BC3$, MoS${2}$/$C3N$, MoS${2}$/$C3N4$, MoS${2}$/$C4N3$ and those using Janus MoSSe instead of MoS$2$ by performing density functional theory calculations. The electronic band structure calculations and the corresponding partial density of states reveal that the significant changes are driven by quite strong layer-layer interaction between the constitutive layers. Our results show that although all monolayers are semiconductors as free-standing layers, the MoS${2}$/$C3N$ and MoS${2}$/$C4N3$ bilayer HTs display metallic behavior as a consequence of transfer of charge carriers between two constituent layers. In addition, it is found that in MoSSe/$C3N$ bilayer HT, the degree of metallicity is affected by the interface chalcogen atom type when Se atoms are facing to $C3N$ layer, the overlap of the bands around the Fermi level is smaller. Moreover, the half-metallic magnetic $C4N3$ is shown to form magnetic half-metallic trilayer HT with MoS$2$ independent of the stacking sequence, i.e. whether it is sandwiched or two $C4N3$ layer encapsulate MoS$2$ layer. We further analyze the trilayer HTs in which MoS$2$ is encapsulated by two different monolayers and it is revealed that at least with one magnetic monolayer, it is possible to construct a magnetic trilayer. While the trilayer of $C4N3$/MoS${2}$/$BC3$ and $C4N3$/MoS${2}$/$C3N4$ exhibit half-metallic characteristics, $C4N3$/MoS${_2}$/$C3$N possesses a magnetic metallic ground state. Overall, our results reveal that holly structures of BCN crystals are suitable for heterostructure formation even over van der Waals type interaction which significantly changes electronic nature of the constituent layers. |
| 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 |
000543344800001 |
Publication Date |
2020-04-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.4; 2020 IF: 2.588 |
| Call Number |
UA @ admin @ c:irua:169754 |
Serial |
6651 |
| Permanent link to this record |
| |
|
| |
| Author |
Asfora, V.K.; Bueno, C.C.; de Barros, V.M.; Khoury, H.; Van Grieken, R. |
| Title |
X-ray spectrometry applied for characterization of bricks of Brazilian historical sites |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
X-Ray Spectrometry |
Abbreviated Journal |
X-Ray Spectrom |
| Volume |
|
Issue |
|
Pages |
1-8 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
This paper presents the results of X-ray fluorescence (XRF) analysis of bricks sampled from historical places in Pernambuco, a state in the northeastern region of Brazil. In this study, twenty bricks found in historical sites were analyzed. Two bricks made in the 17th century, presumably used as ballast in ships coming from Holland, five locally manufactured bricks: one from 18th century, three from 19th century, and one from 20th century, and thirteen bricks collected from a recent Archeological investigation of Alto da Se, in the town of Olinda. Qualitative determination of the chemical elements present in the samples was undertaken using a self-assembled portable XRF system based on a compact X-ray tube and a thermoelectrically cooled Si-PIN photodiode system, both commercially available. X-ray diffraction analysis was also carried out to assess the crystalline mineral phases present in the bricks. The results showed that quartz (SiO2) is the major mineral content in all bricks. Although less expressive in the XRD patterns, mineral phases of illite, kaolinite, anorthite, and rutile are also identified. The trace element distribution patterns of the bricks, determined by the XRF technique, is dominated by Fe and, in decreasing order, by K, Ti, Ca, Mn, Zr, Rb, Sr, Cr, and Y with slight differences among them. Analyses of the chemical compositional features of the bricks, evaluated by principal component analysis of the XRF datasets, allowed the samples to be grouped into five clusters with similar chemical composition. These cluster groups were able to identify both age and manufacturing sites. Dutch bricks prepared with different geological clays compositions were defined. |
| 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 |
000568830300001 |
Publication Date |
2020-09-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.2 |
Times cited |
|
Open Access |
|
| Notes |
; The authors are grateful to CNPQ (Process: 305903/2011-0 and 407458/2013-1) for providing funds to carry out the present work and for supporting a visitor professor to UFPE through the program science without frontier. The authors also thank Mr. Roberto Araujo from the Center of Advanced Studies on Integrated Environmental Protection-CECI that made available the bricks to be analyzed. ; |
Approved |
Most recent IF: 1.2; 2020 IF: 1.298 |
| Call Number |
UA @ admin @ c:irua:171960 |
Serial |
6654 |
| Permanent link to this record |
| |
|
| |
| Author |
Albrecht, W.; Bals, S. |
| Title |
Fast Electron Tomography for Nanomaterials |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
| Volume |
|
Issue |
|
Pages |
acs.jpcc.0c08939 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Electron tomography (ET) has become a well-established technique to visualize nanomaterials in three dimensions. A vast richness in information can be gained by ET, but the conventional acquisition of a tomography series is an inherently slow process on the order of 1 h. The slow acquisition limits the applicability of ET for monitoring dynamic processes or visualizing nanoparticles, which are sensitive to the electron beam. In this Perspective, we summarize recent work on the development of emerging experimental and computational schemes to enhance the data acquisition process. We particularly focus on the application of these fast ET techniques for beam-sensitive materials and highlight insight into dynamic transformations of nanoparticles under external stimuli, which could be gained by fast in situ ET. Moreover, we discuss challenges and possible solutions for simultaneously increasing the speed and quality of fast ET. |
| 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 |
000608876900003 |
Publication Date |
2020-11-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.7 |
Times cited |
26 |
Open Access |
OpenAccess |
| Notes |
H2020 Research Infrastructures, 823717 ; H2020 European Research Council, 815128 ; The authors acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grant No. 815128-REALNANO) and the European Commission (EUSMI). The authors furthermore acknowledge funding from the European Union’s Horizon 2020 research and innovation program, ESTEEM3. The authors also acknowledge contributions from all co-workers that have contributed over the years: J. Batenburg and co-workers, A. Béché, E. Bladt, L. Liz-Marzán and co-workers, H. Pérez Garza and co-workers, A. Skorikov, S. Skrabalak and co-workers, S. Van Aert, A. van Blaaderen and co-workers, H. Vanrompay, and J. Verbeeck.; sygma |
Approved |
Most recent IF: 3.7; 2020 IF: 4.536 |
| Call Number |
EMAT @ emat @c:irua:173965 |
Serial |
6656 |
| Permanent link to this record |
| |
|
| |
| Author |
Jafarzadeh, A. |
| Title |
First-principle studies of plasma-catalyst interactions for greenhouse gas conversion |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
163 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| 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 |
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Publication Date |
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| Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:174073 |
Serial |
6765 |
| Permanent link to this record |
| |
|
| |
| Author |
Ranjbar, S. |
| Title |
Mathematical model of plasma therapy on bacterial growth |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
95 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| 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 |
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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 |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:175471 |
Serial |
6768 |
| Permanent link to this record |
| |
|
| |
| Author |
Kolev, S.; Paunska, T.; Trenchev, G.; Bogaerts, A. |
| Title |
Modeling the CO2 dissociation in pulsed atmospheric-pressure discharge |
Type |
P1 Proceeding |
| Year |
2020 |
Publication |
Technologies |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
012007 |
| Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
CO2 dissociation and its subsequent conversion into added-value chemicals is a promising strategy for recycling CO2 gas into reusable products. One of the possible methods is direct plasma-induced dissociation. In this work we study the efficiency of CO2 dissociation in pulsed atmospheric-pressure gas discharge between two conducting electrodes by a 0-D numerical plasma model. The purpose of the study is to provide results on the optimal conditions of CO2 conversion with respect to the energy efficiency and dissociation by varying the maximum power density value and the pulse length. The power density is directly related to the discharge current and the reduced electric field in the discharge. We consider pulse lengths in the range from hundreds of nanosecond up to milliseconds. The results obtained show that the dissociation degree and energy efficiency are sensitive to the pulse length (duration) and the power density, so that a considerable improvement of the discharge performance can be achieved by fine-tuning these parameters. The study is intended to provide guidance in designing an experimental set-up and a power supply with the characteristics necessary to achieve optimal conversion. |
| 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 |
|
Wos |
000593712900007 |
Publication Date |
2020-06-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
1492 |
Series Issue |
|
Edition |
|
| ISSN |
1742-6588; 1742-6596 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:174447 |
Serial |
6769 |
| Permanent link to this record |
| |
|
| |
| Author |
Uytdenhouwen, Y. |
| Title |
Tuning the performance of a DBD plasma reactor for CO2 reforming |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
303 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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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 |
|
ISBN |
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Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:174026 |
Serial |
6774 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhang, Z.; Bourgeois, L.; Zhang, Y.; Rosalie, J.M.; Medhekar, N. |
| Title |
Advanced imaging and simulations of precipitate interfaces in aluminium alloys and their role in phase transformations |
Type |
P1 Proceeding |
| Year |
2020 |
Publication |
MATEC web of conferences
T2 – 17th International Conference on Aluminium Alloys (ICAA), October 26-29, 2020 |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
09003 |
| Keywords |
P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Precipitation is accompanied by the formation and migration of heterophase interfaces. Using the combined approach of advanced imaging and atomistic simulations, we studied the precipitate-matrix interfaces in various aluminium alloy systems, aiming to resolve their detailed atomic structures and illuminate their role in phase transformations. |
| 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 |
000652552200053 |
Publication Date |
2020-11-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
326 |
Series Issue |
|
Edition |
|
| ISSN |
2261-236x; 2274-7214 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:179147 |
Serial |
6851 |
| Permanent link to this record |
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| |
| Author |
Guzzinati, G.; Das, P.P.; Zompra, A., A.; Nicopoulos, S.; Verbeeck, J. |
| Title |
Electron energy loss spectra of several organic compounds |
Type |
Dataset |
| Year |
2020 |
Publication |
|
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
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| Keywords |
Dataset; Electron microscopy for materials research (EMAT) |
| Abstract |
We placed crystals of different compounds to explore the possibility of fingerprinting them through EELS. Here are representative datasets of 7 different compounds: b-cyclodextrin hexacarboxy cyclohexane tannin TH-15 peptide TH-27 peptide two different forms of piroxicam The datasets were collected at EMAT, using a monochromated FEI Titan3 TEM, within the scope of an EUSMI request. More information as well as analysis methodologies adopted for the data are detailed in the paper: Das et al. “Reliable Characterization of Organic & Pharmaceutical Compounds with High Resolution Monochromated EEL Spectroscopy”, Polymers 2020, 12(7), 1434. |
| Address |
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Place of Publication |
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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 |
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Times cited |
|
Open Access |
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| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:180654 |
Serial |
6866 |
| Permanent link to this record |
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| |
| Author |
Samaeeaghmiyoni, V.; Cordier, P.; Demouchy, S.; Bollinger, C.; Gasc, J.; Mussi, A.; Schryvers, D.; Idrissi, H. |
| Title |
Research data supporting for Stress-induced amorphization triggers deformation in the lithospheric mantle |
Type |
Dataset |
| Year |
2020 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Dataset; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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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 |
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| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:180668 |
Serial |
6881 |
| Permanent link to this record |
| |
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| |
| Author |
Saviuc, I.; Van Passel, S.; Peremans, H. |
| Title |
Integrating PV+battery residential microgrids in distribution networks : how is the point of common coupling agreed upon? |
Type |
H1 Book chapter |
| Year |
2020 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
150-164 |
| Keywords |
H1 Book chapter; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
| Abstract |
The anticipated development of decentralized electricity generation is expected to strengthen the opportunities of prosumers in the residential areas of cities, in line with the predicted establishment of renewable energy generation and storage. Based on academic research and on successful case studies, the opportunity for residential prosumers to organize in microgrids emerges as a viable and promising solution. This paper focuses on microgrids that are planned to generate electricity with a PV unit and use a shared storage system, and that opt to have a connection with the main grid. However, the point of common coupling needs to be agreed first between the microgrid operator and the network operator, and this agreement is determined by several factors and conditions beyond the basic technical and regulatory requirements. A survey of academic literature on the determinant factors for such an agreement exposes the fact that current research either focuses on the integration of individual prosumers in the main grid, or regards the point of common coupling as a given component of microgrids. We argue that neither of the two approaches is helpful in the case of microgrids vs. main grid, seeing as the agreement is not self-evident under just any circumstances, nor can the microgrid be equated to a single, large prosumer. Therefore this short paper compiles a set of determinant factors for the microgrid integration, as they emerge from academic literature, with the aim to document further research needs and support the discussion on microgrid integration. |
| Address |
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Thesis |
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Place of Publication |
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Wos |
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Publication Date |
2020-04-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
Sustainable Energy for Smart Cities : First EAI International Conference, SESC 2019, Braga, Portugal, December 4–6, 2019: proceedings |
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
978-3-030-45693-1 |
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:168515 |
Serial |
6932 |
| Permanent link to this record |
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| Author |
Vicca, S.; Crabbé, A.; Van Passel, S. |
| Title |
Is het coronavirus goed nieuws voor het klimaat? = Is the coronavirus good news for the climate? |
Type |
Newspaper/Magazine/blog article |
| Year |
2020 |
Publication |
globalchangeecology.blog |
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Newspaper/Magazine/blog article; Sociology; Economics; Engineering Management (ENM); Plant and Ecosystems (PLECO) – Ecology in a time of change; Centre for Research on Environmental and Social Change |
| Abstract |
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| Address |
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Wos |
https://www.scientists4climate.be/is-the-coronavirus-good-news-for-the-climate/ |
Publication Date |
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| Series Editor |
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Series Title |
|
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; https://www.scientists4climate.be/is-the-coronavirus-good-news-for-the-climate/; https://globalchangeecology.blog/2020/04/03/is-het-coronavirus-goed-nieuws-voor-het-klimaat/ |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:168299 |
Serial |
6934 |
| Permanent link to this record |
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| |
| Author |
Annys, S.; Van Passel, S.; Dessein, J.; Ghebreyohannes, T.; Adgo, E.; Nyssen, J. |
| Title |
Small-scale irrigation expansion along the dam-regulated Tekeze River in Northern Ethiopia |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
International Journal Of Water Resources Development |
Abbreviated Journal |
Int J Water Resour D |
| Volume |
|
Issue |
|
Pages |
1-22 |
| Keywords |
A1 Journal article; Engineering Management (ENM) |
| Abstract |
Based on extensive field information, farmer-led small-scale irrigation systems along the dam-regulated Tekeze River is investigated and the likelihood of future irrigation expansion within the area with modelled potential is discussed, considering facilitating and hampering factors. Due to dam-induced hydrologic alterations, downstream socio-ecological systems have strongly transformed as the irrigated area has quadrupled and the post-dam potential for perennial crop cultivation has attracted numerous migrant investors to the area, inducing inequalities but also providing opportunities. Future dam construction should involve tailored policy interventions to facilitate irrigation expansion, while safeguarding equal and sustainable access to water and land. |
| 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 |
000569995600001 |
Publication Date |
2020-09-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0790-0627 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.1 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.1; 2020 IF: 2.088 |
| Call Number |
UA @ admin @ c:irua:171952 |
Serial |
6943 |
| Permanent link to this record |
| |
|
| |
| Author |
Van Schoubroeck, S. |
| Title |
A techno-sustainability assessment framework : indicator selection and integrated method for sustainability analysis of biobased chemicals |
Type |
Doctoral thesis |
| Year |
2020 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
195 p. |
| Keywords |
Doctoral thesis; Engineering Management (ENM) |
| Abstract |
Biobased chemistry has gained interest and has the potential to tackle some of the sustainability challenges the chemical industry must endure. Sustainability impacts need to be evaluated and monitored to highlight the advantages and pitfalls of different biobased routes over the product life cycle. A better understanding of the potential sustainability of emerging biobased technologies and products is essential to guide additional research and further technology development. This PhD thesis aims to develop a framework for a techno-sustainability assessment (TSA), while accounting for technological as well as economic, environmental, and social aspects in an integrated approach. First, a review of the state-of-the-art sustainability indicators for biobased chemicals was conducted and a gap analysis was performed to identify indicator development needs. Afterwards, a Delphi study was performed to select sustainability indicators specifically for biobased chemical assessment and to reach consensus among experts on a prioritization of these indicators. Next, the selected sustainability indicators were quantified while integrating technological and country-specific data with environmental characterization factors, economic values and social data. Finally, a stochastic, hierarchical multi-criteria decision analysis (MCDA) integrates the independent techno-sustainability indicators expressed in different units, taking into account stochastic and flexible method options. The developed integrated TSA framework was applied to a case for which a production and harvesting plant of microalgae-based food colorants is assessed. The final aim of the integrated TSA is to compare the potential sustainability performance of different scenarios and to make better-informed choices between alternatives by evaluating environmental, economic and social sustainability impacts in one holistic model. Integrated TSA offers a novel framework where decision makers can assess sustainability already in early technology development stages by identifying potential hurdles and opportunities to guide R&D and make sustainable investment decisions. |
| Address |
|
| 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 |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:174826 |
Serial |
6947 |
| 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 Tungsten diselenide |
Type |
P1 Proceeding |
| Year |
2020 |
Publication |
International Conference on Simulation of Semiconductor Processes and Devices : [proceedings]
T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 23-OCT 06, 2020 |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
97-100 |
| Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
| Abstract |
We theoretically investigate the effect of intercalation of third row transition metals (Co, Cr, Fe, Mn, Ti and V) in the layers of WSe2. Using density functional theory (DFT), we investigate the structural stability. We also compute the DFT energies of various magnetic spin configurations. Using these energies, we construct a Heisenberg Hamiltonian and perform a Monte Carlo study on each WSe2 + intercalant system to estimate the Curie or Neel temperature. We find ferromagnetic ground states for Ti and Cr intercalation, with Curie temperatures of 31K and 225K, respectively. In Fe-intercalated WSe2, we predict that antiferromagnetic ordering is present up to 564K. For V intercalation, we find that the system exhibits a double phase transition. |
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000636981000025 |
Publication Date |
2020-11-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
978-4-86348-763-5 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:178345 |
Serial |
7402 |
| Permanent link to this record |
| |
|
| |
| Author |
Tavkhelidze, I.; Gielis, J.; Pinelas, S. |
| Title |
About some methods of analytic representation and classification of a wide set of geometric figures with “complex” configuration |
Type |
H1 Book chapter |
| Year |
2020 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
347-359
T2 - Differential and difference equations |
| Keywords |
H1 Book chapter; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2020-10-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
978-3-030-56322-6 |
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:174479 |
Serial |
7407 |
| Permanent link to this record |
