Records |
Author |
Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
Volume |
131 |
Issue |
7 |
Pages |
1238 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2). |
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 |
000307274300003 |
Publication Date |
2012-07-07 |
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 |
1432-881X;1432-2234; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.89 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.89; 2012 IF: 2.233 |
Call Number |
UA @ lucian @ c:irua:101139 |
Serial |
2935 |
Permanent link to this record |
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Author |
Van Boxem, R.; Partoens, B.; Verbeeck, J. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Rutherford scattering of electron vortices |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
89 |
Issue |
3 |
Pages |
032715-32719 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
By considering a cylindrically symmetric generalization of a plane wave, the first-order Born approximation of screened Coulomb scattering unfolds two new dimensions in the scattering problem: transverse momentum and orbital angular momentum of the incoming beam. In this paper, the elastic Coulomb scattering amplitude is calculated analytically for incoming Bessel beams. This reveals novel features occurring for wide-angle scattering and quantitative insights for small-angle vortex scattering. The result successfully generalizes the well-known Rutherford formula, incorporating transverse and orbital angular momentum into the formalism. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000333690500008 |
Publication Date |
2014-03-31 |
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 |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
34 |
Open Access |
|
Notes |
312483-Esteem2; N246791 – Countatoms; 278510 Vortex; esteem2jra1; esteem2jra3 ECASJO_; |
Approved |
Most recent IF: 2.925; 2014 IF: 2.808 |
Call Number |
UA @ lucian @ c:irua:115562UA @ admin @ c:irua:115562 |
Serial |
2936 |
Permanent link to this record |
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Author |
Van Velthoven, N.; Henrion, M.; Dallenes, J.; Krajnc, A.; Bugaev, A.L.; Liu, P.; Bals, S.; Soldatov, A.; Mali, G.; De Vos, D.E. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
S,O-functionalized metal-organic frameworks as heterogeneous single-site catalysts for the oxidative alkenylation of arenes via C- H activation |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Acs Catalysis |
Abbreviated Journal |
Acs Catal |
Volume |
10 |
Issue |
9 |
Pages |
5077-5085 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Heterogeneous single-site catalysts can combine the R precise active site design of organometallic complexes with the efficient recovery of solid catalysts. Based on recent progress on homogeneous thioether ligands for Pd-catalyzed C-H activation reactions, we here develop a scalable metal-organic framework-based heterogeneous single-site catalyst containing S,O-moieties that increase the catalytic activity of Pd(II) for the oxidative alkenylation of arenes. The structure of the Pd@MOF-808-L1 catalyst was characterized in detail via solid-state nuclear magnetic resonance spectroscopy, N-2 physisorption, and high-angle annular dark field scanning transmission electron microscopy, and the structure of the isolated palladium active sites could be identified by X-ray absorption spectroscopy. A turnover frequency (TOF) of 8.4 h(-1) was reached after 1 h of reaction time, which was 3 times higher than the TOF of standard Pd(OAc)(2), ranking Pd@MOF-808-L1 among the most active heterogeneous catalysts ever reported for the nondirected oxidative alkenylation of arenes. Finally, we showed that the single-site catalyst promotes the oxidative alkenylation of a broad range of electron-rich arenes, and the applicability of this heterogeneous system was demonstrated by the gram-scale synthesis of industrially relevant products. |
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 |
000530090800026 |
Publication Date |
2020-04-06 |
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 |
2155-5435 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.9 |
Times cited |
37 |
Open Access |
OpenAccess |
Notes |
; The research leading to these results has received funding from the NMBP-01-2016 Program of the European Union's Horizon 2020 Framework Program H2020/2014-2020/under grant agreement no [720996]. N.V.V. and D.E.D.V. thank the FWO for funding (1S32917N and G0F2320N). D.E.D.V. is grateful for KU Leuven's support in the frame of the CASAS Metusalem project and a C3 type project. A.K. and G.M. acknowledge the financial support from the Slovenian Research Agency (research core funding no. P1-0021 and project no. N1-0079). A.L.B and A.V.S. acknowledge Russian Science Foundation grant no. 20-43-01015 for financial support. We thank Alexander Trigub and Alexey Veligzhanin for their support during the beamtime at Kurchatov Institute. We are indebted to Elizaveta Kamyshova and Anna Pnevskaya for their valuable help during EXAFS measurements. P.L. and S.B. thank European Research Council for the ERC Consolidator Grant 815128, REALNANO. Kassem Amro and Guillaume Gracy from Sikemia are gratefully acknowledged for providing ; sygma |
Approved |
Most recent IF: 12.9; 2020 IF: 10.614 |
Call Number |
UA @ admin @ c:irua:169530 |
Serial |
6598 |
Permanent link to this record |
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Author |
Adriaensen, L.; Vangaever, F.; Lenaerts, J.; Gijbels, R. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
S-SIMS and MetA-SIMS study of organic additives in thin polymer coatings |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
252 |
Issue |
19 |
Pages |
6628-6631 |
Keywords |
A1 Journal article; 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 |
Amsterdam |
Editor |
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Language |
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Wos |
000240609900057 |
Publication Date |
2006-06-20 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.387; 2006 IF: 1.436 |
Call Number |
UA @ lucian @ c:irua:60083 |
Serial |
2937 |
Permanent link to this record |
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Author |
Baelus, B.J.; Peeters, F.M.; Schweigert, V.A. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Saddle point states and energy barriers for vortex entrance and exit in superconducting disks and rings |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
63 |
Issue |
|
Pages |
144517 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000168059800097 |
Publication Date |
2002-07-27 |
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 |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
86 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2001 IF: NA |
Call Number |
UA @ lucian @ c:irua:37294 |
Serial |
2938 |
Permanent link to this record |
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Author |
Schryvers, D. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
SAED and HREM results suggest a NiTi B19' based superstructure for CuZr martensite |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Journal de physique: colloques, suppléments |
Abbreviated Journal |
|
Volume |
5 |
Issue |
8 |
Pages |
1047-1052 |
Keywords |
A1 Journal article; 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 |
Les Ulis |
Editor |
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Language |
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Wos |
A1995TX21300085 |
Publication Date |
2014-07-16 |
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 |
|
ISSN |
1155-4339; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
2 |
Open Access |
|
Notes |
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Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
Call Number |
UA @ lucian @ c:irua:13168 |
Serial |
2939 |
Permanent link to this record |
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Author |
Van Slycken, S.; Witters, N.; Meers, E.; Peene, A.; Michels, E.; Adriaensen, K.; Ruttens, A.; Vangronsveld, J.; Du Laing, G.; Wierinck, I.; Van Dael, M.; Van Passel, S.; Tack, F.M.G. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Safe use of metal-contaminated agricultural land by cultivation of energy maize (Zea mays) |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Environmental Pollution |
Abbreviated Journal |
Environ Pollut |
Volume |
178 |
Issue |
|
Pages |
375-380 |
Keywords |
A1 Journal article; Economics |
Abstract |
Production of food crops on trace element-contaminated agricultural lands in the Campine region (Belgium) can be problematic as legal threshold values for safe use of these crops can be exceeded. Conventional sanitation of vast areas is too expensive and alternatives need to be investigated. Zea mays on a trace element-contaminated soil in the region showed an average yield of 53 ± 10 Mg fresh or 20 ± 3 Mg dry biomass ha−1. Whole plant Cd concentrations complied with legal threshold values for animal feed. Moreover, threshold values for use in anaerobic digestion were met. Biogas production potential did not differ between maize grown on contaminated and non-contaminated soils. Results suggested favorable perspectives for farmers to generate non-food crops profitably, although effective soil cleaning would be very slow. This demonstrates that a valuable and sustainable alternative use can be generated for moderately contaminated soils on which conventional agriculture is impaired. |
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 |
000320487700050 |
Publication Date |
2013-04-22 |
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 |
|
Edition |
|
ISSN |
0269-7491 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.099 |
Times cited |
30 |
Open Access |
|
Notes |
; This research was funded by the Institute for the promotion of Innovation by Science and Technology in Flanders (IWT-Flanders, Grant IWT/CLO/50702). We want to thank OVAM, as the planting and management of this site is part of a demonstration project in the context of the INTERREG-project BENEKEMPEN. Also many thanks to laboratory staff of the departments and to Pioneer and KWS for providing the seeds. ; |
Approved |
Most recent IF: 5.099; 2013 IF: 3.902 |
Call Number |
UA @ admin @ c:irua:129870 |
Serial |
6247 |
Permanent link to this record |
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Author |
Vetters, J.; Thomassen, G.; Van Passel, S. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Sailing through end-of-life challenges : a comprehensive review for offshore wind |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Renewable and sustainable energy reviews |
Abbreviated Journal |
|
Volume |
199 |
Issue |
|
Pages |
114486-16 |
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
Abstract |
Over the past thirty years, European offshore wind farm development surged, yet end-of-life and decommissioning considerations were overshadowed by initial climate and energy security objectives during design and construction. As the first major projects near their final decade, numerous unanswered questions persist. Through a comprehensive literature review, this study identifies, maps, and evaluates challenges across technical, economic, environmental, social, and policy dimensions spanning five end-of-life phases: planning, dismantling, transport and logistics, waste management, and site recovery. Examining 42 publications reveals 46 distinct challenges affecting stakeholders such as the end-of-life supply chain, policy makers, and society. While 33% of the challenges manifested in the technical dimension, 48% of the challenges covered the planning phase. Notably, the economic challenge of vessel cost and availability was raised most often. Less-explored challenges underscore the importance of consideration before the end-of-life phase intensifies. The study illustrates the complex interconnection of numerous end-of-life challenges across phases, dimensions, and disciplines, emphasizing the imperative of addressing bottlenecks in a comprehensive and integrated manner. The results of this study help steering future research, while also improving awareness of challenges for stakeholders, emphasizing the need for collaborative efforts between governmental bodies and industry stakeholders to address imminent challenges through transparent guidelines, data exchange, and circular design principles. The novelty of this study lies in its holistic, multidisciplinary approach, systematic framework for identifying challenges, and critical perspective unveiling interconnectedness. |
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 |
2024-05-02 |
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 |
1364-0321; 1879-0690 |
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
15.9 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 15.9; 2024 IF: 8.05 |
Call Number |
UA @ admin @ c:irua:205652 |
Serial |
9226 |
Permanent link to this record |
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Author |
Cardell, C.; Delalieux, F.; Roumpopoulos, K.; Moropoulou, A.; Auger, F.; Van Grieken, R. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Salt-induced decay in calcareous stone monuments and buildings in a marine environment in SW France |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Construction and building materials |
Abbreviated Journal |
|
Volume |
17 |
Issue |
|
Pages |
165-179 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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 |
000181682600003 |
Publication Date |
2003-03-25 |
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 |
|
ISSN |
0950-0618 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:40839 |
Serial |
8489 |
Permanent link to this record |
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|
Author |
Van Grieken, R.; Van de Velde, R.; Robberecht, H. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Sample contamination from a commercial grinding unit |
Type |
A1 Journal article |
Year |
1980 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
|
Volume |
118 |
Issue |
1 |
Pages |
137-143 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
The contamination of ground samples by a commercially available Lovibond McCrone Micronizing Mill is discussed. Tracer and weighing experiments showed that abrasion of corundum grinding elements was important, introducing 620 mg of abrasion products per minute of wet grinding. Agate grinding elements were abraded at ⩽6 mg min-1. The abrasion products and grinding elements were analyzed by x-ray fluorescence, spark-source mass spectrometry and neutron activation analysis. Contamination in trace element analysis of geological materials is likely to be negligible for agate grinding elements and, except for a few transition metals, also for corundum grinding elements. Contamination of typical biological samples is significant for a few elements even when agate elements are used, and is absolutely prohibitive for trace analysis when corundum elements are used. |
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 |
A1980JZ95100016 |
Publication Date |
2002-07-25 |
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 |
|
ISSN |
0003-2670; 1873-4324 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:116436 |
Serial |
8492 |
Permanent link to this record |
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Author |
van Meel, K.; Worobiec, A.; Stranger, M.; Van Grieken, R. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Sample damage during X-ray fluorescence analysis: case study on ammonium salts in atmospheric aerosols |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Journal of environmental monitoring |
Abbreviated Journal |
|
Volume |
10 |
Issue |
|
Pages |
989-992 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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 |
000258084000030 |
Publication Date |
2008-07-15 |
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 |
1464-0325; 1464-0333 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:69669 |
Serial |
8493 |
Permanent link to this record |
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Author |
Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Van Aert, S.; Bals, S.; Pavan, G.M. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Advanced Science |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
1-13 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic-resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state-of-the-art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark-field scanning transmission electron microscopy enables the acquisition of ten high-resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allow resolving the real-time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. Experimental and computational techniques are bridged to unveil atomic dynamics in gold nanoparticles (NPs), using annular dark-field scanning transmission electron microscopy and molecular dynamics simulations informed by machine learning. The approach provides unprecedented insights into the real-time structural behaviors of NPs, merging state-of-the-art techniques to accurately characterize their dynamics under realistic conditions. image |
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 |
001206888000001 |
Publication Date |
2024-04-24 |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2198-3844 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
15.1 |
Times cited |
|
Open Access |
|
Notes |
This work was supported by the funding received by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 818776- DYNAPOL, no. 770887 PICOMETRICS and no. 815128 REALNANO). The authors also acknowledge the computational resources provided by the Swiss National Supercomputing Center (CSCS), by CINECA, and the Research Foundation Flanders (FWO, Belgium) G.0346.21N. |
Approved |
Most recent IF: 15.1; 2024 IF: 9.034 |
Call Number |
UA @ admin @ c:irua:205442 |
Serial |
9171 |
Permanent link to this record |
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|
|
Author |
Tchakoua, T.; Gerrits, N.; Smeets, E.W.F.; Kroes, G.-J. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Journal of chemical theory and computation |
Abbreviated Journal |
|
Volume |
19 |
Issue |
1 |
Pages |
245-270 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative chemisorption barriers for the reactions of molecules on metal surfaces have received much less attention. The first database called SBH10 and containing 10 entries was recently constructed based on the specific reaction parameter approach to density functional theory (SRP-DFT) and experimental results. We have now constructed a new and improved database (SBH17) containing 17 entries based on SRP-DFT and experiments. For this new SBH17 benchmark study, we have tested three algorithms (high, medium, and light) for calculating barrier heights for dissociative chemisorption on metals, which we have named for the amount of computational effort involved in their use. We test the performance of 14 density functionals at the GGA, GGA+vdW-DF, and meta-GGA rungs. Our results show that, in contrast with the previous SBH10 study where the BEEF-vdW-DF2 functional seemed to be most accurate, the workhorse functional PBE and the MS2 density functional are the most accurate of the GGA and meta-GGA functionals tested. Of the GGA+vdW functionals tested, the SRP32-vdW-DF1 functional is the most accurate. Additionally, we found that the medium algorithm is accurate enough for assessing the performance of the density functionals tested, while it avoids geometry optimizations of minimum barrier geometries for each density functional tested. The medium algorithm does require metal lattice constants and interlayer distances that are optimized separately for each functional. While these are avoided in the light algorithm, this algorithm is found not to give a reliable description of functional performance. The combination of relative ease of use and demonstrated reliability of the medium algorithm will likely pave the way for incorporation of the SBH17 database in larger databases used for testing new density functionals and electronic structure methods. |
Address |
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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 |
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Wos |
000903286100001 |
Publication Date |
2022-12-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1549-9618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.5 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 5.5; 2023 IF: 5.245 |
Call Number |
UA @ admin @ c:irua:193426 |
Serial |
7274 |
Permanent link to this record |
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|
|
Author |
Wang, C.; Xin, X.; Shu, M.; Huang, S.; Zhang, Y.; Li, X. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scalable synthesis of one-dimensional Na2Li2Ti6O14 nanofibers as ultrahigh rate capability anodes for lithium-ion batteries |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Inorganic Chemistry Frontiers |
Abbreviated Journal |
Inorg Chem Front |
Volume |
6 |
Issue |
3 |
Pages |
646-653 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Carbon anode materials for Li-ion batteries have been operated close to their theoretical rate and cycle limits. Therefore, titanium-based materials have attracted great attention due to their high stability. Here, Na2Li2Ti6O14 nanofibers as anode materials were prepared through a controlled electrospinning method. The Na2Li2Ti6O14 nanofibers presented superior electrochemical performance with high rate capability and long cycle life and can be regarded as a competitive anode candidate for advanced Li-ion batteries. One-dimensional (1D) Na2Li2Ti6O14 nanofibers are able to deliver a capacity of 128.5 mA h g(-1) at 0.5C, and demonstrate superior high-rate charge-discharge capability and cycling stability (the reversible charge capacity is 77.8 mA h g(-1) with a capacity retention of 99.45% at the rate of 10C after 800 cycles). The 1D structure is considered to contribute remarkably to increased rate capability and stability. This simple and scalable method indicates that the Na2Li2Ti6O14 nanofibers have a practical application potential for high performance lithium-ion batteries. |
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 |
000461092500027 |
Publication Date |
2018-11-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2052-1553 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.036 |
Times cited |
3 |
Open Access |
Not_Open_Access |
Notes |
; The authors acknowledge financial support from the National Natural Science Foundation of China (21571110), Natural Science Foundation of Zhejiang Province (LY18B010003), and the Ningbo Key Innovation Team (2014B81005), and sponsorship by the K.C. Wong Magna Fund in Ningbo University. ; |
Approved |
Most recent IF: 4.036 |
Call Number |
UA @ admin @ c:irua:158566 |
Serial |
5258 |
Permanent link to this record |
|
|
|
Author |
Guerrero, R.M.; Lemir, I.D.; Carrasco, S.; Fernández-Ruiz, C.; Kavak, S.; Pizarro, P.; Serrano, D.P.; Bals, S.; Horcajada, P.; Pérez, Y. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scaling-Up Microwave-Assisted Synthesis of Highly Defective Pd@UiO-66-NH2Catalysts for Selective Olefin Hydrogenation under Ambient Conditions |
Type |
A1 Journal Article |
Year |
2024 |
Publication |
ACS Applied Materials & Interfaces |
Abbreviated Journal |
ACS Appl. Mater. Interfaces |
Volume |
|
Issue |
|
Pages |
|
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
Abstract |
The need to develop green and cost-effective industrial catalytic processes has led to growing interest in preparing more robust, efficient, and selective heterogeneous catalysts at a large scale. In this regard, microwave-assisted synthesis is a fast method for fabricating heterogeneous catalysts (including metal oxides, zeolites, metal–organic frameworks, and supported metal nanoparticles) with enhanced catalytic properties, enabling synthesis scale-up. Herein, the synthesis of nanosized UiO-66-NH2 was optimized via a microwave-assisted hydrothermal method to obtain defective matrices essential for the stabilization of metal nanoparticles, promoting catalytically active sites for hydrogenation reactions (760 kg·m–3·day–1 space time yield, STY). Then, this protocol was scaled up in a multimodal microwave reactor, reaching 86% yield (ca. 1 g, 1450 kg·m–3·day–1 STY) in only 30 min. Afterward, Pd nanoparticles were formed in situ decorating the nanoMOF by an effective and fast microwave-assisted hydrothermal method, resulting in the formation of Pd@UiO-66-NH2 composites. Both the localization and oxidation states of Pd nanoparticles (NPs) in the MOF were achieved using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and X-ray photoelectron spectroscopy (XPS), respectively. The optimal composite, loaded with 1.7 wt % Pd, exhibited an extraordinary catalytic activity (>95% yield, 100% selectivity) under mild conditions (1 bar H2, 25 °C, 1 h reaction time), not only in the selective hydrogenation of a variety of single alkenes (1-hexene, 1-octene, 1-tridecene, cyclohexene, and tetraphenyl ethylene) but also in the conversion of a complex mixture of alkenes (i.e., 1-hexene, 1-tridecene, and anethole). The results showed a powerful interaction and synergy between the active phase (Pd NPs) and the catalytic porous scaffold (UiO-66-NH2), which are essential for the selectivity and recyclability. |
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 |
2024-04-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1944-8244 |
ISBN |
|
Additional Links |
|
Impact Factor |
9.5 |
Times cited |
|
Open Access |
|
Notes |
The authors gratefully acknowledge financial support from “Comunidad de Madrid” and European Regional Development Fund-FEDER through the project HUB MADRID+CIRCULAR; the State Research Agency (MCIN/AEI /10.13039/501100011033) through the grant with reference number CEX2019-000931-M received in the 2019 call for “Severo Ochoa Centres of Excellence” and “María de Maeztu Units of Excellence” of the State Programme for Knowledge Generation and Scientific and Technological Strengthening of the R&D&I System; and MICIU through the project “NAPOLION” (PID2022-139956OB-I00). S.K. acknowledges the Flemish Fund for Scientific Research (FWO Vlaanderen) through a PhD research grant (1181124N). |
Approved |
Most recent IF: 9.5; 2024 IF: 7.504 |
Call Number |
EMAT @ emat @ |
Serial |
9126 |
Permanent link to this record |
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|
Author |
Petrovic, M.D.; Milovanović, S.P.; Peeters, F.M. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scanning gate microscopy of magnetic focusing in graphene devices : quantum versus classical simulation |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
Volume |
28 |
Issue |
28 |
Pages |
185202 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
We compare classical versus quantum electron transport in recently investigated magnetic focusing devices (Bhandari et al 2016 Nano Lett. 16 1690) exposed to the perturbing potential of a scanning gate microscope (SGM). Using the Landauer-Buttiker formalism for a multi-terminal device, we calculate resistance maps that are obtained as the SGM tip is scanned over the sample. There are three unique regimes in which the scanning tip can operate (focusing, repelling, and mixed regime) which are investigated. Tip interacts mostly with electrons with cyclotron trajectories passing directly underneath it, leaving a trail of modified current density behind it. Other (indirect) trajectories become relevant when the tip is placed near the edges of the sample, and current is scattered between the tip and the edge. We point out that, in contrast to SGM experiments on gapped semiconductors, the STM tip can induce a pn junction in graphene, which improves contrast and resolution in SGM. We also discuss possible explanations for spatial asymmetry of experimentally measured resistance maps, and connect it with specific configurations of the measuring probes. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000399273800001 |
Publication Date |
2017-03-17 |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.44 |
Times cited |
7 |
Open Access |
|
Notes |
; This work was supported by the Methusalem program of the Flemish government. ; |
Approved |
Most recent IF: 3.44 |
Call Number |
UA @ lucian @ c:irua:143639 |
Serial |
4607 |
Permanent link to this record |
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|
|
Author |
Leuthner, G.T.; Hummel, S.; Mangler, C.; Pennycook, T.J.; Susi, T.; Meyer, J.C.; Kotakoski, J. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scanning transmission electron microscopy under controlled low-pressure atmospheres |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
203 |
Issue |
203 |
Pages |
76-81 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Transmission electron microscopy (TEM) is carried out in vacuum to minimize the interaction of the imaging electrons with gas molecules while passing through the microscope column. Nevertheless, in typical devices, the pressure remains at 10(-7) mbar or above, providing a large number of gas molecules for the electron beam to crack, which can lead to structural changes in the sample. Here, we describe experiments carried out in a modified scanning TEM (STEM) instrument, based on the Nion UltraSTEM 100. In this instrument, the base pressure at the sample is around 2 x 10(-10 )mbar, and can be varied up to 10(-6) mbar through introduction of gases directly into the objective area while maintaining atomic resolution imaging conditions. We show that air leaked into the microscope column during the experiment is efficient in cleaning graphene samples from contamination, but ineffective in damaging the pristine lattice. Our experiments also show that exposure to O(2 )and H2O lead to a similar result, oxygen providing an etching effect nearly twice as efficient as water, presumably due to the two 0 atoms per molecule. H(2 )and N-2 environments have no influence on etching. These results show that the residual gas environment in typical TEM instruments can have a large influence on the observations, and show that chemical etching of carbon-based structures can be effectively carried out with oxygen. |
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 |
000465021000010 |
Publication Date |
2019-02-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.843 |
Call Number |
UA @ admin @ c:irua:165937 |
Serial |
6321 |
Permanent link to this record |
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|
Author |
Nicholls, D.; Li, R.R.; Ware, B.; Pansegrau, C.; Çakir, D.; Hoffmann, M.R.; Oncel, N. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scanning tunneling microscopy and density functional theory study on zinc(II)-phthalocyanine tetrasulfonic acid on bilayer epitaxial graphene on silicon carbide(0001) |
Type |
A1 Journal article |
Year |
2015 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
119 |
Issue |
119 |
Pages |
9845-9850 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Zinc(II)-phthalocyanine tetrasulfonic acid (Zn-PcS) molecules physisorbed on bilayer epitaxial graphene on silicon carbide (SiC(0001)) were studied by using scanning tunneling microscopy/spectroscopy (STM/STS) and density functional theory (DFT). Two different methods were used to deposit Zn-PcS molecules and regardless of the method being used, the surface coverage stayed very low indicating the weakness of surface-molecule interaction. STS measurements revealed that derivative of tunneling current with respect to voltage (dI/dV) measured on Zn-PcS molecules did not exhibit the characteristic dip observed on dI/dV curves of pristine bilayer epitaxial graphene. DFT calculations show that the energy of the lowest unoccupied molecular orbital (LUMO) of the Zn-PcS molecule is below the Dirac point of graphene which enhances local density of states (LDOS). We attribute the disappearance of the dip in the dI/dV curves measured on the Zn-PcS/bilayer system to the LUMO of Zn-PcS. Charge density calculations along Zn-PcS/graphene interface reveal that there is a small charge transfer from graphene to the molecule. Calculated adsorption energy (3.13 eV) of the molecule is notably low and is consistent with the observed low surface coverage at room temperature. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000354339000020 |
Publication Date |
2015-04-15 |
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 |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
3 |
Open Access |
|
Notes |
; We gratefully acknowledge the NSF (Grant Nos.: DMR-1306101, EPS-814442, and EPS-1354366) for financial support. ; |
Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
Call Number |
c:irua:126370 |
Serial |
2947 |
Permanent link to this record |
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|
Author |
Alfeld, M.; van der Snickt, G.; Vanmeert, F.; Janssens, K.; Dik, J.; Appel, K.; van der Loeff, L.; Chavannes, M.; Meedendorp, T.; Hendriks, E. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scanning XRF investigation of a Flower Still Life and its underlying composition from the collection of the Kröller-Muller Museum |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Applied physics A : materials science & processing |
Abbreviated Journal |
Appl Phys A-Mater |
Volume |
111 |
Issue |
1 |
Pages |
165-175 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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 |
000316075700020 |
Publication Date |
2013-01-29 |
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 |
0947-8396 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.455 |
Times cited |
35 |
Open Access |
|
Notes |
; This research was supported by the SSD program of BELSPO, Brussels (project S2-ART). Results are also presented here from Gemeenschappelijke Onderzoeksactie (GOA) 'XANES meets ELNES' (Research Fund, University of Antwerp, Belgium) and from Fonds voor Wetenschappelijk Onderzoek (FWO) (Brussels, Belgium) project Nos. G.0704.08 and G.01769.09. The research leading to these results was funded by the European Community's Seventh Framework Program (FP7/2007-2013) under grant agreement No. 226716 and the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) under the VIDI project “Looking Over the Painter's Shoulder” (grant No. 700.10.426). M. Alfeld is the recipient of a Ph.D. fellowship of the Research Foundation-Flanders (FWO). ; |
Approved |
Most recent IF: 1.455; 2013 IF: 1.694 |
Call Number |
UA @ admin @ c:irua:108264 |
Serial |
5826 |
Permanent link to this record |
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|
Author |
Matulis, A.; Masir, M.R.; Peeters, F.M. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scattering of a Dirac electron on a mass barrier |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
86 |
Issue |
2 |
Pages |
022101 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The interaction of a wave packet (and in particular the wave front) with a mass barrier is investigated in one dimension. We discuss the main features of the wave packet that are inherent to two-dimensional wave packets, such as compression during reflection, penetration in the case when the energy is lower than the height of the barrier, waving tails, precursors, and the retardation of the reflected and penetrated wave packets. These features depend on the wave-packet envelope function which we demonstrate by considering the case of a rectangular wave packet with sharp front and trailing edges and a smooth Gaussian wave packet. The method of Fourier integral for obtaining the nonstationary solutions is used. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000306991200001 |
Publication Date |
2012-08-01 |
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 |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
9 |
Open Access |
|
Notes |
; This research was supported by the Flemish Science Foundation (FWO-Vl) and (in part) by the Lithuanian Science Council under Project No. MIP-79/2010. ; |
Approved |
Most recent IF: 2.925; 2012 IF: 3.042 |
Call Number |
UA @ lucian @ c:irua:100822 |
Serial |
2948 |
Permanent link to this record |
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|
Author |
Novoselov, K.S.; Geim, A.K.; Dubonos, S.V.; Cornelissens, Y.G.; Peeters, F.M.; Maan, J.C. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scattering of ballistic electrons at a mesoscopic spot of strong magnetic field |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
65 |
Issue |
23 |
Pages |
233312-233314 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We report quenching of the Hall effect with increasing magnetic field confined in a micron-sized spot. Such fields were created by placing tall ferromagnetic pillars on top of a two-dimensional electron gas, which allowed us to achieve the field strength up to 0.4 T under the pillars in the absence of external field. The quenching is accompanied by an anomalous increase in resistance and occurs when the cyclotron diameter matches the size of the magnetic spot. The results are explained by a rapid increase in the number of electrons that are scattered or quasilocalized by the magnetic region. |
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 |
000176767900029 |
Publication Date |
2002-07-27 |
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 |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
Call Number |
UA @ lucian @ c:irua:103349 |
Serial |
2949 |
Permanent link to this record |
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|
|
Author |
Masir, M.R.; Peeters, F.M. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scattering of Dirac electrons by a random array of magnetic flux tubes |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of computational electronics |
Abbreviated Journal |
J Comput Electron |
Volume |
12 |
Issue |
2 |
Pages |
115-122 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The scattering of two-dimensional (2D) massless electrons as presented in graphene in the presence of a random array of circular magnetic flux tubes is investigated. The momentum relaxation time and the Hall factor are obtained using optical theorem techniques for scattering. Electrons with energy close to those of the Landau levels of the flux tubes exhibit resonant scattering and have a long life-time to reside inside the magnetic flux tube. These resonances appear as sharp structures in the Hall factor and the magneto-resistance. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
S.l. |
Editor |
|
Language |
|
Wos |
000320044900007 |
Publication Date |
2013-02-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1569-8025;1572-8137; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.526 |
Times cited |
2 |
Open Access |
|
Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-Vl). We acknowledge fruitful discussions with A. Matulis. ; |
Approved |
Most recent IF: 1.526; 2013 IF: 1.372 |
Call Number |
UA @ lucian @ c:irua:109615 |
Serial |
2950 |
Permanent link to this record |
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|
Author |
Masir, M.R.; Matulis, A.; Peeters, F.M. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scattering of Dirac electrons by circular mass barriers : valley filter and resonant scattering |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
24 |
Pages |
245413-245413,9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The scattering of two-dimensional (2D) massless Dirac electrons is investigated in the presence of a random array of circular mass barriers. The inverse momentum relaxation time and the Hall factor are calculated and used to obtain parallel and perpendicular resistivity components within linear transport theory. We found a nonzero perpendicular resistivity component which has opposite sign for electrons in the different K and K′ valleys. This property can be used for valley filter purposes. The total cross section for scattering on penetrable barriers exhibits resonances due to the presence of quasibound states in the barriers that show up as sharp gaps in the cross section while for Schrödinger electrons they appear as peaks. |
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 |
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Language |
|
Wos |
000297934500008 |
Publication Date |
2011-12-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
32 |
Open Access |
|
Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:94383 |
Serial |
2951 |
Permanent link to this record |
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|
|
Author |
Li, X.Q.; Peeters, F.M. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scattering on circular inhomogeneous magnetic field profiles in an electron waveguide junction |
Type |
A1 Journal article |
Year |
1997 |
Publication |
Superlattices and microstructures |
Abbreviated Journal |
Superlattice Microst |
Volume |
22 |
Issue |
|
Pages |
243-249 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
A1997XV53900017 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0749-6036 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.123 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.123; 1997 IF: 0.694 |
Call Number |
UA @ lucian @ c:irua:19302 |
Serial |
2952 |
Permanent link to this record |
|
|
|
Author |
Austing, D.G.; Payette, C.; Nair, S.V.; Yu, G.; Gupta, J.A.; Partoens, B.; Amaha, S.; Tarucha, S. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scheme for coherently quenching resonant current in a three-level quantum dot energy level mixer |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Physica status solidi: C: conferences and critical reviews |
Abbreviated Journal |
|
Volume |
6 |
Issue |
4 |
Pages |
940-943 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We outline a scheme to create a dark state by three-level mixing that is potentially a useful tool for quantum coherent transport. Magnetic-field-induced intra-dot level mixing can lead to rich quantum superposition phenomena between three approaching single-particle states in a quantum dot when probed by the ground state of an adjacent weakly coupled quantum dot in the single-electron resonant tunnelling regime. The mixing relies on non-negligible anharmonicity and anisotropy in confining potentials of realistic quantum dots. Anti-crossing and transfer of strengths between resonances can be understood with a simple coherent level mixing model. Superposition can lead to the formation of a dark state by complete cancellation of an otherwise strong resonance. This is an all-electrical analogue of coherent population trapping seen in three-level-systems from quantum and atom optics. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
Language |
|
Wos |
000266597600040 |
Publication Date |
2008-12-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1862-6351;1610-1642; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:86927 |
Serial |
2953 |
Permanent link to this record |
|
|
|
Author |
Duan, Z.L.; Chen, Z.Y.; Zhang, J.T.; Feng, X.L.; Xu, Z.Z. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Scheme for the generation of entangled atomic state in cavity QED |
Type |
A1 Journal article |
Year |
2004 |
Publication |
European physical journal : D : atomic, molecular and optical physics |
Abbreviated Journal |
Eur Phys J D |
Volume |
30 |
Issue |
2 |
Pages |
275-278 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We propose a scheme to generate the entangled state of two Lambda-type three-level atoms trapped in a cavity. The atoms are initially prepared in their excited state and the cavity in vacuum state. Each atom has two possibilities to deexcite to one of the ground states. If two different polarized photons are detected subsequently, it is sure that both atoms are in different ground states. But which atom is in which ground state cannot be determined, the atoms are thus prepared in a superposition of two ground states, i.e., an entangled state. In comparison with the proposal of Hong and Lee [Phys. Rev. Lett. 89, 237901 (2002)], the requirement of a single polarized photon source can be avoided in our scheme. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
Language |
|
Wos |
000223019400013 |
Publication Date |
2004-07-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1434-6060;1434-6079; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.288 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.288; 2004 IF: 1.692 |
Call Number |
UA @ lucian @ c:irua:94796 |
Serial |
2954 |
Permanent link to this record |
|
|
|
Author |
Van Winckel, T.; Vlaeminck, S.E.; Al-Omari, A.; Bachmann, B.; Sturm, B.; Wett, B.; Takács, I.; Bott, C.; Murthy, S.N.; De Clippeleir, H. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Screen versus cyclone for improved capacity and robustness for sidestream and mainstream deammonification |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Environmental Science: Water Research & Technology |
Abbreviated Journal |
|
Volume |
5 |
Issue |
10 |
Pages |
1769-1781 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Deammonification systems are being implemented as cost- and resource-efficient nitrogen removal processes. However, their complexity is a major hurdle towards successful transposition from side- to mainstream application. Merely out-selecting nitrite oxidizing bacteria (NOB) or retaining anammox bacteria (AnAOB) does not guarantee efficient mainstream deammonification. This paper presents for the first time the interactions and synergies between kinetic selection, through management of residual substrates, and physical selection, through separation of solid retention times (SRTs). This allowed the formulation of tangible operational recommendations for successful deammonification. Activity measurements were used to establish retention efficiencies (η) for AnAOB for full-scale cyclones and rotating drum screens installed at a sidestream and mainstream deammonification reactor (Strass, Austria). In the sidestream reactor, using a screen (η = 91%) instead of a cyclone (η = 88%) may increase the capacity by up to 29%. For the mainstream reactor, higher AnAOB retention efficiencies achieved by the screen (η = 72%) compared to the cyclone (η = 42%) induced a prospective increase in capacity by 80–90%. In addition, the switch in combination with bioaugmentation from the sidestream made the process less dependent on nitrite availability, thus aiding in the outselection of NOB. This allowed for a more flexible (intermittent) aeration strategy and a reduced need for tight SRT control for NOB washout. A sensitivity analysis explored expected trends to provide possible operational windows for further calibration. In essence, characterization of the physical selectors at full scale allowed a deeper understanding of operational windows of the process and quantification of capacity, ultimately leading to a more space and energy conservation process. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000487968200013 |
Publication Date |
2019-08-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2053-1400 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:162540 |
Serial |
8498 |
Permanent link to this record |
|
|
|
Author |
Huyskens, C.; De Wever, H.; Fovet, Y.; Wegmann, U.; Diels, L.; Lenaerts, S. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Screening of novel MBR fouling reducers : benchmarking with known fouling reducers and evaluation of their mechanism of action |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Separation and purification technology |
Abbreviated Journal |
Sep Purif Technol |
Volume |
95 |
Issue |
|
Pages |
49-57 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
A novel fouling characterization method was applied for a first screening of two novel synthetic flocculants developed by BASF (BASF-1 and BASF-2) and benchmarking with six well-known products. Results showed that this MBR-VITO Fouling Measurement (VFM) was able to identify beneficial and adverse effects of different additives on the mixed liquor's reversible and irreversible fouling and, in combination with supporting mixed liquor analyses, allowed to identify the additive's main working mechanism. The first screening tests indicated that BASF-1 and BASF-2 reduced reversible and irreversible fouling to a similar extent as the known synthetic flocculants due to a charge neutralization mechanism, resulting in enhanced flocculation and SMP removal. Further testing at different additive concentrations provided a first indication of the optimal dosage and revealed a considerable risk of overdosing for BASF-2, rendering it less suited for fouling control. In contrast, such adverse effects were not observed for BASF-1. BASF-1 induced similar beneficial effects as the known MPE50 polymer at lower dosage and was therefore considered promising for application in MBRs. (C) 2012 Elsevier B.V. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000307032100008 |
Publication Date |
2012-04-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1383-5866 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.359 |
Times cited |
24 |
Open Access |
|
Notes |
; The authors would like to thank K. Luyckx, J. Fret, L. Heylen, R. Muyshondt, H. Sterckx, J. Verheyden and J. Vande-Velden for technical assistance and V. Iversen for kindly supplying some of the commercial additives. Celine Huyskens is indebted to the Research Foundation-Flanders (FWO). The European Commission is acknowledged for financial support to Aquafit4use (FP7, Grant 211534). ; |
Approved |
Most recent IF: 3.359; 2012 IF: 2.894 |
Call Number |
UA @ admin @ c:irua:101903 |
Serial |
5990 |
Permanent link to this record |
|
|
|
Author |
Hai, G.Q.; Peeters, F.M.; Devreese, J.T.; Wendler, L. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Screening of the electron-phonon interaction in quasi-one-dimensional semiconductor structures |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
48 |
Issue |
16 |
Pages |
12016-12022 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
A1993ME60100059 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited |
41 |
Open Access |
|
Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
Call Number |
UA @ lucian @ c:irua:5751 |
Serial |
2955 |
Permanent link to this record |
|
|
|
Author |
Ravindra, K.; Bencs, L.; Wauters, E.; de Hoog, J.; Deutsch, F.; Roekens, E.; Bleux, N.; Berghmans, P.; Van Grieken, R. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Seasonal and site-specific variation in vapour and aerosol phase PAHs over Flanders (Belgium) and their relation with anthropogenic activities |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
|
Volume |
40 |
Issue |
4 |
Pages |
771-785 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000235764300016 |
Publication Date |
2005-11-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1352-2310 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:55412 |
Serial |
8499 |
Permanent link to this record |