| Records |
| Author |
Razafindramisa, F.L.; Andriambololona, R.; Brunel, M.; Van Grieken, R.E. |
| Title |
Analysis of Malagasy medical herbs by X-ray fluorescence in total reflectivity |
Type |
A1 Journal article |
| Year |
1996 |
Publication |
Journal de physique: 4 |
Abbreviated Journal |
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| Volume |
6 |
Issue |
|
Pages |
833-842 |
| 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 |
A1996VP30100082 |
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 |
1155-4339 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
|
| Notes |
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Approved |
no |
Call Number  |
UA @ admin @ c:irua:17325 |
Serial |
7449 |
| Permanent link to this record |
| |
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| |
| Author |
Lavor, I.R.; Cavalcante, L.S.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B. |
| Title |
Probing the structure and composition of van der Waals heterostructures using the nonlocality of Dirac plasmons in the terahertz regime |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
2d Materials |
Abbreviated Journal |
2D Mater |
| Volume |
8 |
Issue |
1 |
Pages |
015014 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Dirac plasmons in graphene are very sensitive to the dielectric properties of the environment. We show that this can be used to probe the structure and composition of van der Waals heterostructures (vdWh) put underneath a single graphene layer. In order to do so, we assess vdWh composed of hexagonal boron nitride and different types of transition metal dichalcogenides (TMDs). By performing realistic simulations that account for the contribution of each layer of the vdWh separately and including the importance of the substrate phonons, we show that one can achieve single-layer resolution by investigating the nonlocal nature of the Dirac plasmon-polaritons. The composition of the vdWh stack can be inferred from the plasmon-phonon coupling once it is composed by more than two TMD layers. Furthermore, we show that the bulk character of TMD stacks for plasmonic screening properties in the terahertz regime is reached only beyond 100 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 |
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Editor |
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| Language |
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Wos |
000582820500001 |
Publication Date |
2020-10-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.937 |
Times cited |
4 |
Open Access |
OpenAccess |
| Notes |
; This work was financially supported by the Brazilian Council for Research (CNPq), Brazilian National Council for the Improvement of Higher Education (CAPES) and by the Research Foundation Flanders (FWO) through a postdoctoral fellowship to B.V.D. ; |
Approved |
Most recent IF: 6.937 |
| Call Number |
UA @ admin @ c:irua:173507 |
Serial |
6696 |
| Permanent link to this record |
| |
|
| |
| Author |
Chen, X.; Bouhon, A.; Li, L.; Peeters, F.M.; Sanyal, B. |
| Title |
PAI-graphene : a new topological semimetallic two-dimensional carbon allotrope with highly tunable anisotropic Dirac cones |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
170 |
Issue |
|
Pages |
477-486 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using evolutionary algorithm for crystal structure prediction, we present a new stable two-dimensional (2D) carbon allotrope composed of polymerized as-indacenes (PAI) in a zigzag pattern, namely PAI-graphene whose energy is lower than most of the reported 2D allotropes of graphene. Crucially, the crystal structure realizes a nonsymmorphic layer group that enforces a nontrivial global topology of the band structure with two Dirac cones lying perfectly at the Fermi level. The absence of electron/hole pockets makes PAI-graphene a pristine crystalline topological semimetal having anisotropic Fermi velocities with a high value of 7.0 x 10(5) m/s. We show that while the semimetallic property of the allotrope is robust against the application of strain, the positions of the Dirac cone and the Fermi velocities can be modified significantly with strain. Moreover, by combining strain along both the x- and y-directions, two band inversions take place at G leading to the annihilation of the Dirac nodes demonstrating the possibility of strain-controlled conversion of a topological semimetal into a semiconductor. Finally we formulate the bulk-boundary correspondence of the topological nodal phase in the form of a generalized Zak-phase argument finding a perfect agreement with the topological edge states computed for different edge-terminations. (C) 2020 The Author(s). Published by Elsevier Ltd. |
| 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 |
000579779800047 |
Publication Date |
2020-08-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
10.9 |
Times cited |
43 |
Open Access |
|
| Notes |
; We thank S. Nahas, for helpful discussions. This work is supported by the project grant (2016e05366) and Swedish Research Links program grant (2017e05447) from the Swedish Research Council, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl), the FLAG-ERA project TRANS 2D TMD. Linyang Li acknowledges financial support from the Natural Science Foundation of Hebei Province (Grant No. A2020202031). X.C. thanks China scholarship council for financial support (No. 201606220031). X.C. and B.S. acknowledge SNIC-UPPMAX, SNIC-HPC2N, and SNIC-NSC centers under the Swedish National Infrastructure for Computing (SNIC) resources for the allocation of time in high-performance supercomputers. Moreover, supercomputing resources from PRACE DECI-15 project DYNAMAT are gratefully acknowledged. ; |
Approved |
Most recent IF: 10.9; 2020 IF: 6.337 |
| Call Number |
UA @ admin @ c:irua:173513 |
Serial |
6577 |
| Permanent link to this record |
| |
|
| |
| 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 |
|
Issue |
|
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. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000588146500001 |
Publication Date |
2020-11-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0935-9648 |
ISBN |
|
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 |
| Permanent link to this record |
| |
|
| |
| Author |
Plumadore, R.; Baskurt, M.; Boddison-Chouinard, J.; Lopinski, G.; Modarresi, M.; Potasz, P.; Hawrylak, P.; Sahin, H.; Peeters, F.M.; Luican-Mayer, A. |
| Title |
Prevalence of oxygen defects in an in-plane anisotropic transition metal dichalcogenide |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
102 |
Issue |
20 |
Pages |
205408 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Atomic scale defects in semiconductors enable their technological applications and realization of different quantum states. Using scanning tunneling microscopy and spectroscopy complemented by ab initio calculations we determine the nature of defects in the anisotropic van der Waals layered semiconductor ReS2. We demonstrate the in-plane anisotropy of the lattice by directly visualizing chains of rhenium atoms forming diamond-shaped clusters. Using scanning tunneling spectroscopy we measure the semiconducting gap in the density of states. We reveal the presence of lattice defects and by comparison of their topographic and spectroscopic signatures with ab initio calculations we determine their origin as oxygen atoms absorbed at lattice point defect sites. These results provide an atomic-scale view into the semiconducting transition metal dichalcogenides, paving the way toward understanding and engineering their properties. |
| Address |
|
| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000587595800007 |
Publication Date |
2020-11-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.7 |
Times cited |
9 |
Open Access |
|
| Notes |
; The authors acknowledge funding from National Sciences and Engineering Research Council (NSERC) Discovery Grant No. RGPIN-2016-06717. We also acknowledge the support of the Natural Sciences and Engineering Research Council of Canada (NSERC) through QC2DM Strategic Project No. STPGP 521420. P.H. thanks uOttawa Research Chair in Quantum Theory of Materials for support. P.P. acknowledges partial financial support from National Science Center (NCN), Poland, Grant Maestro No. 2014/14/A/ST3/00654, and calculations were performed in theWroclaw Center for Networking and Supercomputing. H.S. acknowledges financial support from TUBITAK under Project No. 117F095 and from Turkish Academy of Sciences under the GEBIP program. Our computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
| Call Number |
UA @ admin @ c:irua:173525 |
Serial |
6584 |
| Permanent link to this record |
| |
|
| |
| Author |
Sebhatu, K.T.; Taheri, F.; Berhanu, T.; Maertens, M.; Van Passel, S.; D'Haese, M. |
| Title |
Beyond focus : exploring variability of service provision of agricultural cooperatives |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Annals of public and cooperative economics |
Abbreviated Journal |
|
| Volume |
92 |
Issue |
2 |
Pages |
207-231 |
| Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
| Abstract |
The wide array of services provided by agricultural cooperatives for their members is often not considered in academic studies. Addressing this gap in the literature, our paper explores the wide array of services provided by agricultural cooperatives and how these extend beyond those they were initially intended to provide. We study the extent and characteristics of service portfolios from 511 agricultural cooperatives in the Tigray region of Ethiopia. Results from two-limit Tobit models confirm that government and NGO-initiated cooperatives have a wide service portfolio compared to member-initiated cooperatives. In many of the studied cooperatives, the services they provide and their portfolios are more diverse than expected. Cooperatives seem to go beyond their focal areas of intervention. Also, those cooperatives that are more outward-oriented and where the chair has contact with other cooperatives or businesses, have a wider service portfolio. These results may help to explain the mixed findings on the impact of cooperative membership. |
| 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 |
000583855500001 |
Publication Date |
2020-10-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1370-4788; 1467-8292 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:173574 |
Serial |
6916 |
| Permanent link to this record |
| |
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| |
| Author |
Li, Q.N.; Xu, W.; Xiao, Y.M.; Ding, L.; Van Duppen, B.; Peeters, F.M. |
| Title |
Optical absorption window in Na₃Bi based three-dimensional Dirac electronic system |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Applied Physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
128 |
Issue |
15 |
Pages |
155707 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We present a detailed theoretical study of the optoelectronic properties of a Na3Bi based three-dimensional Dirac electronic system (3DDES). The optical conductivity is evaluated using the energy-balance equation derived from a Boltzmann equation, where the electron Hamiltonian is taken from a simplified k . p approach. We find that for short-wavelength irradiation, the optical absorption in Na3Bi is mainly due to inter-band electronic transitions. In contrast to the universal optical conductance observed for graphene, the optical conductivity for Na3Bi based 3DDES depends on the radiation frequency but not on temperature, carrier density, and electronic relaxation time. In the radiation wavelength regime of about 5 mu m, < lambda < 200 mu m, an optical absorption window is found. This is similar to what is observed in graphene. The position and width of the absorption window depend on the direction of the light polarization and sensitively on temperature, carrier density, and electronic relaxation time. Particularly, we demonstrate that the inter-band optical absorption channel can be switched on and off by applying the gate voltage. This implies that similar to graphene, Na3Bi based 3DDES can also be applied in infrared electro-optical modulators. Our theoretical findings are helpful in gaining an in-depth understanding of the basic optoelectronic properties of recently discovered 3DDESs. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
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Editor |
|
| Language |
|
Wos |
000585807400004 |
Publication Date |
2020-10-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.2 |
Times cited |
1 |
Open Access |
|
| Notes |
; This work was supported by the National Natural Science Foundation of China (NNSFC Nos. U1930116, U1832153, 11764045, 11574319, and 11847054) and the Center of Science and Technology of Hefei Academy of Science (No. 2016FXZY002). Applied Basic Research Foundation of Department of Science and Technology of Yunnan Province (No. 2019FD134), the Department of Education of Yunnan Province (No. 2018JS010), the Young Backbone Teachers Training Program of Yunnan University, and the Department of Science and Technology of Yunnan Province are acknowledged. ; |
Approved |
Most recent IF: 3.2; 2020 IF: 2.068 |
| Call Number |
UA @ admin @ c:irua:173591 |
Serial |
6571 |
| Permanent link to this record |
| |
|
| |
| Author |
Grubova, I.Y.; Surmeneva, M.A.; Surmenev, R.A.; Neyts, E.C. |
| Title |
Effect of van der Waals interactions on the adhesion strength at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
RSC advances |
Abbreviated Journal |
|
| Volume |
10 |
Issue |
62 |
Pages |
37800-37805 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Hydroxyapatite (HAP) is frequently used as biocompatible coating on Ti-based implants. In this context, the HAP-Ti adhesion is of crucial importance. Here, we report ab initio calculations to investigate the influence of Si incorporation into the amorphous calcium-phosphate (a-HAP) structure on the interfacial bonding mechanism between the a-HAP coating and an amorphous titanium dioxide (a-TiO2) substrate, contrasting two different density functionals: PBE-GGA, and DFT-D3, which are capable of describing the influence of the van der Waals (vdW) interactions. In particular, we discuss the effect of dispersion on the work of adhesion (W-ad), equilibrium geometries, and charge density difference (CDD). We find that replacement of P by Si in a-HAP (a-Si-HAP) with the creation of OH vacancies as charge compensation results in a significant increase in the bond strength between the coating and substrate in the case of using the PBE-GGA functional. However, including the vdW interactions shows that these forces considerably contribute to the W-ad. We show that the difference (W-ad – W-ad(vdW)) is on average more than 1.1 J m(-2) and 0.5 J m(-2) for a-HAP/a-TiO2 and a-Si-HAP/a-TiO2, respectively. These results reveal that including vdW interactions is essential for accurately describing the chemical bonding at the a-HAP/a-TiO2 interface. |
| 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 |
000583523300025 |
Publication Date |
2020-10-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
; The authors gratefully acknowledge financial support from the Russian president's grant MK-330.2020.8 and BOF Fellowships for International Joint PhD students funded by University of Antwerp (UAntwerp, project number 32545). The work was carried out at Tomsk Polytechnic University within the framework of Tomsk Polytechnic University Competitiveness Enhancement Program grant and in part using the Turing HPC infrastructure of the CalcUA core facility of the UAntwerp, a division of the Flemish Supercomputer Centre (VSC), funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerp, Belgium. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:173603 |
Serial |
6499 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhao, X.N.; Xu, W.; Xiao, Y.M.; Van Duppen, B. |
| Title |
Spin polarization in monolayer MoS₂ in the presence of proximity-induced interactions |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
International Journal Of Modern Physics C |
Abbreviated Journal |
Int J Mod Phys C |
| Volume |
31 |
Issue |
10 |
Pages |
2050143 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
When monolayer (ML) MoS2 is placed on a substrate, the proximity-induced interactions such as the Rashba spin-orbit coupling (RSOC) and exchange interaction (EI) can be introduced. Thus, the electronic system can behave like a spintronic device. In this study, we present a theoretical study on how the presence of the RSCO and EI can lead to the band splitting, the lifting of the valley degeneracy and to the spin polarization in n- and p-type ML MoS2. We find that the maxima of the in-plane spin orientation in the conduction and valence bands in ML MoS2 depend on the Rashba parameter and the effective Zeeman field factor. At a fixed Rashba parameter, the minima of the split conduction band and the maxima of the split valence band along with the spin polarization in ML MoS2 can be tuned effectively by varying the effective Zeeman field factor. On the basis that the EI can be induced by placing the ML MoS2 on a ferromagnetic substrate or by magnetic doping in ML MoS2, we predict that the interesting spintronic effects can be observed in n- and p-type ML MoS2. This work can be helpful to gain an in-depth understanding of the basic physical properties of ML MoS2 for application in advanced electronic and optoelectronic devices. |
| 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 |
000583803200009 |
Publication Date |
2020-06-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0129-1831 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.9 |
Times cited |
|
Open Access |
|
| Notes |
; This work was supported by the Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 1.9; 2020 IF: 1.171 |
| Call Number |
UA @ admin @ c:irua:173635 |
Serial |
6609 |
| Permanent link to this record |
| |
|
| |
| Author |
Lebedev, N.; Stehno, M.; Rana, A.; Gauquelin, N.; Verbeeck, J.; Brinkman, A.; Aarts, J. |
| Title |
Inhomogeneous superconductivity and quasilinear magnetoresistance at amorphous LaTiO₃/SrTiO₃ interfaces |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
33 |
Issue |
5 |
Pages |
055001 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, transmission electron microscopy images revealed that the samples tend to amorphize. Still, we observe that the structures are conducting, and some of them exhibit high conductance and/or superconductivity. We established that conductivity arises mainly on the STO side of the interface, and shows all the signs of the two-dimensional electron gas usually observed at interfaces between STO and LTO or LaAlO3, including the presence of two electron bands and tunability with a gate voltage. Analysis of magnetoresistance (MR) and superconductivity indicates the presence of spatial fluctuations of the electronic properties in our samples. That can explain the observed quasilinear out-of-plane MR, as well as various features of the in-plane MR and the observed superconductivity. |
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000588209300001 |
Publication Date |
2020-10-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.7 |
Times cited |
1 |
Open Access |
OpenAccess |
| Notes |
; NL and JA gratefully acknowledge the financial support of the research program DESCO, which is financed by the Netherlands Organisation for Scientific Research (NWO). The authors thank J Jobst, S Smink, K Lahabi and G Koster for useful discussion. ; |
Approved |
Most recent IF: 2.7; 2020 IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:173679 |
Serial |
6545 |
| Permanent link to this record |
| |
|
| |
| Author |
Voordeckers, D.; Lauriks, T.; Denys, S.; Billen, P.; Tytgat, T.; Van Acker, M. |
| Title |
Guidelines for passive control of traffic-related air pollution in street canyons : an overview for urban planning |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Landscape And Urban Planning |
Abbreviated Journal |
Landscape Urban Plan |
| Volume |
207 |
Issue |
|
Pages |
103980-20 |
| Keywords |
A1 Journal article; Economics; Law; Engineering sciences. Technology; Art; Energy and Materials in Infrastructure and Buildings (EMIB); Research Group for Urban Development; Sustainable Energy, Air and Water Technology (DuEL); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
| Abstract |
Recent studies indicate the necessity of addressing traffic-related air pollution in urban environments, as street canyons are known for their lack of natural ventilation and increased pollution levels. To address this issue, numerous studies have been conducted on different aspects (e.g. aspect ratio, orientation and height variation) and their impact on ventilation and pollution dispersion/dilution performance in street canyons. Despite the numerous studies, the information remains fragmented and the results and applications are fairly unknown in urban planning. Broad review studies on numerous street canyon aspects are also quite scarce. In this study, over 200 studies were collected and reviewed across various parameters and on different configuration levels (street canyon configuration / building configuration / in-canyon configuration). Hereby, the study aims to give a comprehensive overview and to formulate spatial guidelines to improve the application of the reviewed studies for the purpose of urban planning. In total, 19 general guidelines were formulated, and an implementation strategy for the purpose of urban planning was developed. Despite the usability of these guidelines for urban planning, a high number of limitations and variabilities were detected. The broad literature review also revealed knowledge gaps, indicating the potentials for further research. |
| Address |
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| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000604739400006 |
Publication Date |
2020-11-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0169-2046 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.563 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 4.563 |
| Call Number |
UA @ admin @ c:irua:173811 |
Serial |
8014 |
| Permanent link to this record |
| |
|
| |
| Author |
Agrawal, S.; Weissbrodt, D.G.; Annavajhala, M.; Jensen, M.M.; Arroyo, J.M.C.; Wells, G.; Chandran, K.; Vlaeminck, S.E.; Terada, A.; Smets, B.F.; Lackner, S. |
| Title |
Time to act–assessing variations in qPCR analyses in biological nitrogen removal with examples from partial nitritation/anammox systems |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Water Research |
Abbreviated Journal |
Water Res |
| Volume |
190 |
Issue |
|
Pages |
116604 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Quantitative PCR (qPCR) is broadly used as the gold standard to quantify microbial community fractions in environmental microbiology and biotechnology. Benchmarking efforts to ensure the comparability of qPCR data for environmental bioprocesses are still scarce. Also, for partial nitritation/anammox (PN/A) systems systematic investigations are still missing, rendering meta-analysis of reported trends and generic insights potentially precarious. We report a baseline investigation of the variability of qPCR-based analyses for microbial communities applied to PN/A systems. Round-robin testing was performed for three PN/A biomass samples in six laboratories, using the respective in-house DNA extraction and qPCR protocols. The concentration of extracted DNA was significantly different between labs, ranged between 2.7 and 328 ng mg−1 wet biomass. The variability among the qPCR abundance data of different labs was very high (1−7 log fold) but differed for different target microbial guilds. DNA extraction caused maximum variation (3–7 log fold), followed by the primers (1–3 log fold). These insights will guide environmental scientists and engineers as well as treatment plant operators in the interpretation of qPCR data. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000632807700001 |
Publication Date |
2020-11-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0043-1354; 1879-2448 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.942 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 6.942 |
| Call Number |
UA @ admin @ c:irua:173838 |
Serial |
8672 |
| Permanent link to this record |
| |
|
| |
| Author |
Lauriks, T.; Longo, R.; Baetens, D.; Derudi, M.; Parente, A.; Bellemans, A.; van Beeck, J.; Denys, S. |
| Title |
Application of improved CFD modeling for prediction and mitigation of traffic-related air pollution hotspots in a realistic urban street |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Atmospheric Environment |
Abbreviated Journal |
Atmos Environ |
| Volume |
246 |
Issue |
|
Pages |
118127 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
The correct prediction of air pollutants dispersed in urban areas is of paramount importance to safety, public health and a sustainable environment. Vehicular traffic is one of the main sources of nitrogen oxides (NO ) and particulate matter (PM), strongly related to human morbidity and mortality. In this study, the pollutant level and distribution in a section of one of the main road arteries of Antwerp (Belgium, Europe) are analyzed. The assessment is performed through computational fluid dynamics (CFD), acknowledged as a powerful tool to predict and study dispersion phenomena in complex atmospheric environments. The two main traffic lanes are modeled as emitting sources and the surrounding area is explicitly depicted. A Reynolds-averaged Navier–Stokes (RANS) approach specific for Atmospheric Boundary Layer (ABL) simulations is employed. After a validation on a wind tunnel urban canyon test case, the dispersion within the canopy of two relevant urban pollutants, nitrogen dioxide (NO) and particulate matter with an aerodynamic diameter smaller than 10 m (PM10), is studied. An experimental field campaign led to the availability of wind velocity and direction data, as well as PM10 concentrations in some key locations within the urban canyon. To accurately predict the concentration field, a relevant dispersion parameter, the turbulent Schmidt number, , is prescribed as a locally variable quantity. The pollutant distributions in the area of interest – exhibiting strong heterogeneity – are finally demonstrated, considering one of the most frequent and concerning wind directions. Possible local remedial measures are conceptualized, investigated and implemented and their outcomes are directly compared. A major goal is, by realistically reproducing the district of interest, to identify the locations inside this intricate urban canyon where the pollutants are stagnating and to analyze which solution acts as best mitigation measure. It is demonstrated that removal by electrostatic precipitation (ESP), an active measure, and by enhancing the dilution process through wind catchers, a passive measure, are effective for local pollutant removal in a realistic urban canyon. It is also demonstrated that the applied ABL methodology resolves some well known problems in ABL dispersion modeling. |
| 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 |
000613550100003 |
Publication Date |
2020-12-07 |
| 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 |
3.629 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.629 |
| Call Number |
UA @ admin @ c:irua:173917 |
Serial |
7477 |
| Permanent link to this record |
| |
|
| |
| Author |
Muys, M.; Phukan, R.; Brader, G.; Samad, A.; Moretti, M.; Haiden, B.; Pluchon, S.; Roest, K.; Vlaeminck, S.E.; Spiller, M. |
| Title |
A systematic comparison of commercially produced struvite : quantities, qualities and soil-maize phosphorus availability |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Science Of The Total Environment |
Abbreviated Journal |
Sci Total Environ |
| Volume |
756 |
Issue |
|
Pages |
143726-12 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Engineering Management (ENM) |
| Abstract |
Production of struvite (MgNH4PO4·6H2O) from waste streams is increasingly implemented to recover phosphorus (P), which is listed as a critical raw material in the European Union (EU). To facilitate EU-wide trade of P-containing secondary raw materials such as struvite, the EU issued a revised fertilizer regulation in 2019. A comprehensive overview of the supply of struvite and its quality is presently missing. This study aimed: i) to determine the current EU struvite production volumes, ii) to evaluate all legislated physicochemical characteristics and pathogen content of European struvite against newly set regulatory limits, and iii) to compare not-regulated struvite characteristics. It is estimated that in 2020, between 990 and 1250 ton P are recovered as struvite in the EU. Struvite from 24 European production plants, accounting for 30% of the 80 struvite installations worldwide was sampled. Three samples failed the physicochemical legal limits; one had a P content of <7% and three exceeded the organic carbon content of 3% dry weight (DW). Mineralogical analysis revealed that six samples had a struvite content of 80–90% DW, and 13 samples a content of >90% DW. All samples showed a heavy metal content below the legal limits. Microbiological analyses indicated that struvite may exceed certain legal limits. Differences in morphology and particle size distribution were observed for struvite sourced from digestate (rod shaped; transparent; 82 mass% < 1 mm), dewatering liquor (spherical; opaque; 65 mass% 1–2 mm) and effluent from upflow anaerobic sludge blanket reactor processing potato wastewater (spherical; opaque; 51 mass% < 1 mm and 34 mass% > 2 mm). A uniform soil-plant P-availability pattern of 3.5–6.5 mg P/L soil/d over a 28 days sampling period was observed. No differences for plant biomass yield were observed. In conclusion, the results highlight the suitability of most struvite to enter the EU fertilizer market. |
| 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 |
000603487500029 |
Publication Date |
2020-11-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0048-9697; 1879-1026 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.9 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 4.9 |
| Call Number |
UA @ admin @ c:irua:173944 |
Serial |
8638 |
| Permanent link to this record |
| |
|
| |
| Author |
Cerruti, M.; Stevens, B.; Ebrahimi, S.; Alloul, A.; Vlaeminck, S.E.; Weissbrodt, D.G. |
| Title |
Enrichment and aggregation of purple non-sulfur bacteria in a mixed-culture sequencing-batch photobioreactor for biological nutrient removal from wastewater |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Frontiers in Bioengineering and Biotechnology |
Abbreviated Journal |
|
| Volume |
8 |
Issue |
|
Pages |
557234 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Mixed-culture biotechnologies are widely used to capture nutrients from wastewater. Purple non-sulfur bacteria (PNSB), a guild of anoxygenic photomixotrophic organisms, rise interest for their ability to directly assimilate nutrients in the biomass. One challenge targets the aggregation and accumulation of PNSB biomass to separate it from the treated water. Our aim was to enrich and produce a concentrated, fast-settling PNSB biomass with high nutrient removal capacity in a 1.5-L, stirred-tank, anaerobic sequencing-batch photobioreactor (SBR). PNSB were rapidly enriched after inoculation with activated sludge at 0.1 gVSS L–1 in a first batch of 24 h under continuous irradiance of infrared (IR) light (>700 nm) at 375 W m–2, with Rhodobacter reaching 54% of amplicon sequencing read counts. SBR operations with decreasing hydraulic retention times (48 to 16 h, i.e., 1–3 cycles d–1) and increasing volumetric organic loading rates (0.2–1.3 kg COD d–1 m–3) stimulated biomass aggregation, settling, and accumulation in the system, reaching as high as 3.8 g VSS L–1. The sludge retention time (SRT) increased freely from 2.5 to 11 days. Acetate, ammonium, and orthophosphate were removed up to 96% at a rate of 1.1 kg COD d–1 m–3, 77% at 113 g N d–1 m–3, and 73% at 15 g P d–1 m–3, respectively, with COD:N:P assimilation ratio of 100:6.7:0.9 m/m/m. SBR regime shifts sequentially selected for Rhodobacter (90%) under shorter SRT and non-limiting concentration of acetate during reaction phases, for Rhodopseudomonas (70%) under longer SRT and acetate limitation during reaction, and Blastochloris (10%) under higher biomass concentrations, underlying competition for substrate and photons in the PNSB guild. With SBR operations we produced a fast-settling biomass, highly (>90%) enriched in PNSB. A high nutrient removal was achieved by biomass assimilation, reaching the European nutrient discharge limits. We opened further insights on the microbial ecology of PNSB-based processes for water resource recovery. |
| 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 |
000603626100001 |
Publication Date |
2021-06-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2296-4185 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.7 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 5.7; 2020 IF: NA |
| Call Number |
UA @ admin @ c:irua:174085 |
Serial |
7921 |
| Permanent link to this record |
| |
|
| |
| Author |
Girma, H.; Huge, J.; Gebrehiwot, M.; Van Passel, S. |
| Title |
Farmers' willingness to contribute to the restoration of an Ethiopian Rift Valley lake : a contingent valuation study |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Environment, development and sustainability |
Abbreviated Journal |
|
| Volume |
23 |
Issue |
7 |
Pages |
10646-10665 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
| Abstract |
Lakes provide considerable social, economic, and ecological benefits. However, lakes are shrinking and the water quality is declining, due to human pressures such as water withdrawal and land use change, particularly in the developing world. Despite this, information regarding the economic impact of lake level reduction and local willingness to support restoration programs is lacking. This study employed a contingent valuation method to estimate willingness to pay and to contribute labor to Lake Ziway restoration program, Ethiopia. Face-to-face interviews were administered to 259 randomly selected respondents. Our findings revealed that about one-third of the respondents are willing to pay and about two-third are willing to contribute labor to restore the lake. From the interval regression models, the annual mean willingness to pay was estimated about 21.0 USD for the status quo scenario (the program works to keep water levels constant at current levels) and 31.1 USD for the improvement scenario (the program works to increase the water levels permanently). The annual mean willingness to contribute labor was estimated about 27.7 man-days for the status quo and 39.3 man-days for the improvement scenarios. 'Farm income' positively influenced the willingness to pay together with 'farm plot area.' Similarly, labor contribution was positively influenced by 'farm plot area' and 'education' and negatively by 'farm plot distance.' The economic values derived from this study reflect societal preferences and can form a significant input for policymakers, in support of informed and evidence-based decision-making regarding lake management and restoration in developing countries like Ethiopia. |
| 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 |
000590038300001 |
Publication Date |
2020-11-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1387-585x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:174271 |
Serial |
6926 |
| Permanent link to this record |
| |
|
| |
| Author |
Truta, F.; Florea, A.; Cernat, A.; Tertis, M.; Hosu, O.; De Wael, K.; Cristea, C. |
| Title |
Tackling the problem of sensing commonly abused drugs through nanomaterials and (bio)recognition approaches |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Frontiers In Chemistry |
Abbreviated Journal |
Front Chem |
| Volume |
8 |
Issue |
|
Pages |
561638 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
We summarize herein the literature in the last decade, involving the use of nanomaterials and various (bio)recognition elements, such as antibodies, aptamers and molecularly imprinted polymers, for the development of sensitive and selective (bio)sensors for illicit drugs with a focus on electrochemical transduction systems. The use and abuse of illicit drugs remains an increasing challenge for worldwide authorities and, therefore, it is important to have accurate methods to detect them in seized samples, biological fluids and wastewaters. They are recently classified as the latest group of “emerging pollutants,” as their consumption has increased tremendously in recent years. Nanomaterials, antibodies, aptamers and molecularly imprinted polymers have gained much attention over the last decade in the development of (bio)sensors for a myriad of applications. The applicability of these (nano)materials, functionalized or not, has significantly increased, and are therefore highly suitable for use in the detection of drugs. Lately, such functionalized nanoscale materials have assisted in the detection of illicit drugs fingerprints, providing large surface area, functional groups and unique properties that facilitate sensitive and selective sensing. The review discusses the types of commonly abused drugs and their toxicological implications, classification of functionalized nanomaterials (graphene, carbon nanotubes), their fabrication, and their application on real samples in different fields of forensic science. Biosensors for drugs of abuse from the last decade's literature are then exemplified. It also offers insights into the prospects and challenges of bringing the functionalized nanobased technology to the end user in the laboratories or in-field. |
| 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 |
000589960100001 |
Publication Date |
2020-11-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2296-2646 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.5 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 5.5; 2020 IF: 3.994 |
| Call Number |
UA @ admin @ c:irua:174278 |
Serial |
8639 |
| Permanent link to this record |
| |
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| |
| Author |
Yagmurcukardes, M. |
| Title |
Stable anisotropic single-layer of ReTe₂ : a first principles prediction |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Turkish Journal of Physics |
Abbreviated Journal |
|
| Volume |
44 |
Issue |
5 |
Pages |
450-457 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In order to investigate the structural, vibrational, electronic, and mechanical features of single-layer ReTe2 first-principles calculations are performed. Dynamical stability analyses reveal that single-layer ReTe2 crystallize in a distorted phase while its 1H and 1T phases are dynamically unstable. Raman spectrum calculations show that single-layer distorted phase of ReTe2 exhibits 18 Raman peaks similar to those of ReS2 and ReSe2. Electronically, single-layer ReTe2 is shown to be an indirect gap semiconductor with a suitable band gap for optoelectronic applications. In addition, it is found that the formation of Re-units in the crystal induces anisotropic mechanical parameters. The in-plane stiffness and Poisson ratio are shown to be significantly dependent on the lattice orientation. Our findings indicate that single-layer form of ReTe2 can only crystallize in a dynamically stable distorted phase formed by the Re-units. Single-layer of distorted ReTe2 can be a potential in-plane anisotropic material for various nanotechnology 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 |
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| Language |
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Wos |
000585330600004 |
Publication Date |
2020-09-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1300-0101 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
; Computational resources were provided by the Scientific and Technological Research Council of Turkey (TUBITAK) Turkish Academic Network and Information Center (ULAKBIM), High Performance and Grid Computing Center (TR-Grid e-Infrastructure) and by Flemish Supercomputer Center (VSC). This work was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:174296 |
Serial |
6698 |
| Permanent link to this record |
| |
|
| |
| Author |
Obeid, M.M.; Bafekry, A.; Rehman, S.U.; Nguyen, C., V. |
| Title |
A type-II GaSe/HfS₂ van der Waals heterostructure as promising photocatalyst with high carrier mobility |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
| Volume |
534 |
Issue |
|
Pages |
147607 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In this paper, the electronic, optical, and photocatalytic properties of GaSe/HfS2 heterostructure are studied via first-principles calculations. The stability of the vertically stacked heterobilayers is validated by the binding energy, phonon spectrum, and ab initio molecular dynamics simulation. The results reveal that the most stable GaSe/HfS2 heterobilayer retains a type-II alignment with an indirect bandgap 1.40 eV. As well, the results also show strong optical absorption intensity in the studied heterostructure (1.8 x 10(5) cm(-1)). The calculated hole mobility is 1376 cm(2) V-1 s(-1), while electron mobility reaches 911 cm(2) V-1 s(-1) along the armchair and zigzag directions. By applying an external electric field, the bandgap and band offset of the designed heterostructure can be effectively modified. Remarkably, a stronger external electric field can create nearly free electron states in the vicinity of the bottom of the conduction band, which induces indirect-to-direct bandgap transition as well as a semiconductor-to-metal transition. In contrast, the electronic properties of GaSe/HfS2 heterostructure are predicted to be insensitive to biaxial strain. The current work reveals that GaSe/HfS2 heterostructure is a promising candidate as a novel photocatalytic material for hydrogen generation in the visible range. |
| 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 |
000582367700045 |
Publication Date |
2020-08-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.7 |
Times cited |
4 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 6.7; 2020 IF: 3.387 |
| Call Number |
UA @ admin @ c:irua:174301 |
Serial |
6682 |
| Permanent link to this record |
| |
|
| |
| Author |
Lin, S.-C.; Kuo, C.-T.; Shao, Y.-C.; Chuang, Y.-D.; Geessinck, J.; Huijben, M.; Rueff, J.-P.; Graff, I.L.; Conti, G.; Peng, Y.; Bostwick, A.; Gullikson, E.; Nemsak, S.; Vailionis, A.; Gauquelin, N.; Verbeeck, J.; Ghiringhelli, G.; Schneider, C.M.; Fadley, C.S. |
| Title |
Two-dimensional electron systems in perovskite oxide heterostructures : role of the polarity-induced substitutional defects |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Physical review materials |
Abbreviated Journal |
|
| Volume |
4 |
Issue |
11 |
Pages |
115002 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The discovery of a two-dimensional electron system (2DES) at the interfaces of perovskite oxides such as LaAlO3 and SrTiO3 has motivated enormous efforts in engineering interfacial functionalities with this type of oxide heterostructures. However, the fundamental origins of the 2DES are still not understood, e.g., the microscopic mechanisms of coexisting interface conductivity and magnetism. Here we report a comprehensive spectroscopic investigation on the depth profile of 2DES-relevant Ti 3d interface carriers using depthand element-specific techniques like standing-wave excited photoemission and resonant inelastic scattering. We found that one type of Ti 3d interface carriers, which give rise to the 2DES are located within three unit cells from the n-type interface in the SrTiO3 layer. Unexpectedly, another type of interface carriers, which are polarity-induced Ti-on-Al antisite defects, reside in the first three unit cells of the opposing LaAlO3 layer (similar to 10 angstrom). Our findings provide a microscopic picture of how the localized and mobile Ti 3d interface carriers distribute across the interface and suggest that the 2DES and 2D magnetism at the LaAlO3/SrTiO3 interface have disparate explanations as originating from different types of interface carriers. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000592432200004 |
Publication Date |
2020-11-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.4 |
Times cited |
7 |
Open Access |
OpenAccess |
| Notes |
; We thank G. M. De Luca and L. Braicovich for discussions. Charles S. Fadley was deceased on August 1, 2019. We are grateful for his significant contributions to this work. We thank Advanced Light Source for the access to Beamline 8.0.3 (qRIXS) via Proposal No. 09892 and beamline 7.0.2 (MAESTRO) via Proposal No. RA-00291 that contributed to the results presented here. We thank synchrotron SOLEIL (via Proposal No. 99180118) for the access to Beamline GALAXIES. This work was supported by the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231 (Advanced Light Source), and by DOE Contract No. DE-SC0014697 through the University of California, Davis (S.-C.L., C.-T.K, and C.S.F.), and from the Julich Research Center, Peter Grunberg Institute, PGI-6. I. L. G. wishes to thank Brazilian scientific agencies CNPQ (Project No. 200789/2017-1) and CAPES (CAPES-PrInt-UFPR) for their financial support. J.V. and N.G. acknowledge funding from the Geconcentreerde Onderzoekacties (GOA) project “Solarpaint” of the University of Antwerp and the European Union's horizon 2020 research and innovation program ES-TEEM3 under grant agreement no 823717. The Qu-Ant-EM microscope used in this study was partly funded by the Hercules fund from the Flemish Government. ; esteem3TA; esteem3reported |
Approved |
Most recent IF: 3.4; 2020 IF: NA |
| Call Number |
UA @ admin @ c:irua:174316 |
Serial |
6713 |
| Permanent link to this record |
| |
|
| |
| Author |
Christiansen, T.; Cotte, M.; de Nolf, W.; Mouro, E.; Reyes-Herrera, J.; De Meyer, S.; Vanmeert, F.; Salvado, N.; Gonzalez, V.; Lindelof, P.E.; Mortensen, K.; Ryholt, K.; Janssens, K.; Larsen, S. |
| Title |
Insights into the composition of ancient Egyptian red and black inks on papyri achieved by synchrotron-based microanalyses |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Proceedings Of The National Academy Of Sciences Of The United States Of America |
Abbreviated Journal |
P Natl Acad Sci Usa |
| Volume |
117 |
Issue |
45 |
Pages |
27825-27835 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
A hitherto unknown composition is highlighted in the red and black inks preserved on ancient Egyptian papyri from the Roman period (circa 100 to 200 CE). Synchrotron-based macro-X-ray fluo-rescence (XRF) mapping brings to light the presence of iron (Fe) and lead (Pb) compounds in the majority of the red inks inscribed on 12 papyrus fragments from the Tebtunis temple library. The iron-based compounds in the inks can be assigned to ocher, notably due to the colocalization of Fe with aluminum, and the detection of hematite (Fe2O3) by micro-X-ray diffraction. Using the same techniques together with micro-Fourier transform infrared spectroscopy, Pb is shown to be associated with fatty acid phosphate, sulfate, chloride, and carboxylate ions. Moreover, microXRF maps reveal a peculiar distribution and colocalization of Pb, phosphorus (P), and sulfur (S), which are present at the micrometric scale resembling diffused “coffee rings” surrounding the ocher particles imbedded in the red letters, and at the submicrometric scale concentrated in the papyrus cell walls. A similar Pb, P, and S composition was found in three black inks, suggesting that the same lead components were employed in the manufacture of carbon-based inks. Bearing in mind that pigments such as red lead (Pb3O4) and lead white (hydrocerussite [Pb-3(CO3)(2)(OH)(2)] and/or cerussite [PbCO3]) were not detected, the results presented here suggest that the lead compound in the ink was used as a drier rather than as a pigment. Accordingly, the study calls for a reassessment of the composition of lead-based components in ancient Mediterranean pigments. |
| 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 |
000590753400016 |
Publication Date |
2020-10-27 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0027-8424; 1091-6490 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
11.1 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 11.1; 2020 IF: 9.661 |
| Call Number |
UA @ admin @ c:irua:174323 |
Serial |
8107 |
| Permanent link to this record |
| |
|
| |
| Author |
Sun, M.-H.; Zhou, J.; Hu, Z.-Y.; Chen, L.-H.; Li, L.-Y.; Wang, Y.-D.; Xie, Z.-K.; Turner, S.; Van Tendeloo, G.; Hasan, T.; Su, B.-L. |
| Title |
Hierarchical zeolite single-crystal reactor for excellent catalytic efficiency |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Matter |
Abbreviated Journal |
|
| Volume |
3 |
Issue |
4 |
Pages |
1226-1245 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
As a size- and shape-selective catalyst, zeolites are widely used in petroleum and fine-chemicals processing. However, their small micropores severely hinder molecular diffusion and are sensitive to coke formation. Hierarchically porous zeolite single crystals with fully interconnected, ordered, and tunable multimodal porosity at macro-, meso-, and microlength scale, like in leaves, offer the ideal solution. However, their synthesis remains highly challenging. Here, we report a versatile confined zeolite crystallization process to achieve these superior properties. Such zeolite single crystals lead to significantly improved mass transport properties by shortening the diffusion length while maintaining shape-selective properties, endowing them with a high efficiency of zeolite crystals, enhanced catalytic activities and lifetime, highly reduced coke formation, and reduced deactivation rate in bulky-molecule reactions and methanol-to-olefins process. Their industrial utilization can lead to the design of innovative and intensified reactors and processes with highly enhanced efficiency and minimum energy consumption. |
| 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 |
000581132600021 |
Publication Date |
2020-08-12 |
| 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; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:174329 |
Serial |
6727 |
| Permanent link to this record |
| |
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| |
| Author |
Skaggs, C.M.; Kang, C.-J.; Perez, C.J.; Hadermann, J.; Emge, T.J.; Frank, C.E.; Pak, C.; Lapidus, S.H.; Walker, D.; Kotliar, G.; Kauzlarich, S.M.; Tan, X.; Greenblatt, M. |
| Title |
Ambient and high pressure CuNiSb₂ : metal-ordered and metal-disordered NiAs-type derivative pnictides |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Inorganic Chemistry |
Abbreviated Journal |
Inorg Chem |
| Volume |
59 |
Issue |
19 |
Pages |
14058-14069 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The mineral Zlatogorite, CuNiSb2, was synthesized in the laboratory for the first time by annealing elements at ambient pressure (CuNiSb2-AP). Rietveld refinement of synchrotron powder X-ray diffraction data indicates that CuNiSb2-AP crystallizes in the NiAs-derived structure (P (3) over bar m1, #164) with Cu and Ni ordering. The structure consists of alternate NiSb6 and CuSb6 octahedral layers via face-sharing. The formation of such structure instead of metal disordered NiAs-type structure (P6(3)/mmc, #194) is validated by the lower energy of the ordered phase by first-principle calculations. Interatomic crystal orbital Hamilton population, electron localization function, and charge density analysis reveal strong Ni-Sb, Cu-Sb, and Cu-Ni bonding and long weak Sb-Sb interactions in CuNiSb2-AP. The magnetic measurement indicates that CuNiSb2-AP is Pauli paramagnetic. First-principle calculations and experimental electrical resistivity measurements reveal that CuNiSb2-AP is a metal. The low Seebeck coefficient and large thermal conductivity suggest that CuNiSb2 is not a potential thermoelectric material. Single crystals were grown by chemical vapor transport. The high pressure sample (CuNiSb2-8 GPa) was prepared by pressing CuNiSb2-AP at 700 degrees C and 8 GPa. However, the structures of single crystal and CuNiSb2-8 GPa are best fit with a disordered metal structure in the P (3) over bar m1 space group, corroborated by transmission electron microscopy. |
| 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 |
000580381700028 |
Publication Date |
2020-09-20 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0020-1669 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
4.6 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 4.6; 2020 IF: 4.857 |
| Call Number |
UA @ admin @ c:irua:174331 |
Serial |
6714 |
| Permanent link to this record |
| |
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| |
| Author |
Monico, L.; Cotte, M.; Vanmeert, F.; Amidani, L.; Janssens, K.; Nuyts, G.; Garrevoet, J.; Falkenberg, G.; Glatzel, P.; Romani, A.; Miliani, C. |
| Title |
Damages induced by synchrotron radiation-based X-ray microanalysis in chrome yellow paints and related Cr-compounds : assessment, quantification, and mitigation strategies |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Analytical Chemistry |
Abbreviated Journal |
Anal Chem |
| Volume |
92 |
Issue |
20 |
Pages |
14164-14173 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Synchrotron radiation (SR)-based X-ray methods are powerful analytical tools for several purposes. They are widely used to probe the degradation mechanisms of inorganic artists' pigments in paintings, including chrome yellows (PbCr1-xSxO4; 0 <= x <= 0.8), a class of compounds often found in Van Gogh masterpieces. However, the high intensity and brightness of SR beams raise important issues regarding the potential damage inflicted on the analyzed samples. A thorough knowledge of the SR X-ray sensitivity of each class of pigment in the painting matrix is therefore required to find analytical strategies that seek to minimize the damage for preserving the integrity of the analyzed samples and to avoid data misinterpretation. Here, we employ a combination of Cr K-edge X-ray absorption near-edge structure spectroscopy, Cr-K-beta X-ray emission spectroscopy, and X-ray diffraction to monitor and quantify the effects of SR X-rays on the stability of chrome yellows and related Cr compounds and to define mitigation strategies. We found that the SR X-ray beam exposure induces changes in the oxidation state and local coordination environment of Cr ions and leads to a loss of the compound's crystalline structure. The extent of X-ray damage depends on some intrinsic properties of the samples (chemical composition of the pigment and the presence/absence and nature of the binder). It can be minimized by optimizing the overall fluence/dose released to the samples and by working in vacuum and under cryogenic conditions. |
| 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 |
000584418100072 |
Publication Date |
2020-09-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 7.4; 2020 IF: 6.32 |
| Call Number |
UA @ admin @ c:irua:174363 |
Serial |
7754 |
| Permanent link to this record |
| |
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| |
| Author |
Ding, L.; Jidkova, S.; Greuter, M.J.W.; Van Herck, K.; Goossens, M.; Martens, P.; de Bock, G.H.; Van Hal, G. |
| Title |
Coverage determinants of breast cancer screening in Flanders : an evaluation of the past decade |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
International journal for equity in health |
Abbreviated Journal |
|
| Volume |
19 |
Issue |
1 |
Pages |
212 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Social Epidemiology & Health Policy (SEHPO) |
| Abstract |
Background Breast cancer (BC) is the most common cancer in women in the developed world. In order to find developing cancers in an early stage, BC screening is commonly used. In Flanders, screening is performed in and outside an organized breast cancer screening program (BCSP). However, the determinants of BC screening coverage for both screening strategies are yet unknown. Objective To assess the determinants of BC screening coverage in Flanders. Methods Reimbursement data were used to attribute a screening status to each woman in the target population for the years 2008-2016. Yearly coverage data were categorized as screening inside or outside BCSP or no screening. Data were clustered by municipality level. A generalized linear equation model was used to assess the determinants of screening type. Results Over all years and municipalities, the median screening coverage rate inside and outside BCSP was 48.40% (IQR: 41.50-54.40%) and 14.10% (IQR: 9.80-19.80%) respectively. A higher coverage rate outside BSCP was statistically significantly (P < 0.001) associated with more crowded households (OR: 3.797, 95% CI: 3.199-4.508), younger age, higher population densities (OR: 2.528, 95% CI: 2.455-2.606), a lower proportion of unemployed job seekers (OR: 0.641, 95% CI: 0.624-0.658) and lower use of dental care (OR: 0.969, 95% CI: 0.967-0.972). Conclusion Coverage rate of BC screening is not optimal in Flanders. Women with low SES that are characterized by younger age, living in a high population density area, living in crowded households, or having low dental care are less likely to be screened for BC in Flanders. If screened, they are more likely to be screened outside the BCSP. |
| 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 |
000595753100002 |
Publication Date |
2020-11-27 |
| 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 |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:174374 |
Serial |
6721 |
| Permanent link to this record |
| |
|
| |
| Author |
Nakhaee, M.; Ketabi, S.A.; Peeters, F.M. |
| Title |
Machine learning approach to constructing tight binding models for solids with application to BiTeCl |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Applied Physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
128 |
Issue |
21 |
Pages |
215107 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Finding a tight-binding (TB) model for a desired solid is always a challenge that is of great interest when, e.g., studying transport properties. A method is proposed to construct TB models for solids using machine learning (ML) techniques. The approach is based on the LCAO method in combination with Slater-Koster (SK) integrals, which are used to obtain optimal SK parameters. The lattice constant is used to generate training examples to construct a linear ML model. We successfully used this method to find a TB model for BiTeCl, where spin-orbit coupling plays an essential role in its topological behavior. |
| 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 |
000597311900001 |
Publication Date |
2020-12-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.2 |
Times cited |
10 |
Open Access |
|
| Notes |
; This work was supported by the Methusalem program of the Flemish government and was partially supported by BOF (UAntwerpen Grant Reference No. ADPERS/BAP/RS/ 2019). We would like to thank one of the anonymous referees for assisting us in making the paper more accessible to the reader. ; |
Approved |
Most recent IF: 3.2; 2020 IF: 2.068 |
| Call Number |
UA @ admin @ c:irua:174380 |
Serial |
6691 |
| Permanent link to this record |
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| |
| Author |
Simonsen, K.P.; Poulsen, J.N.; Vanmeert, F.; Ryhl-Svendsen, M.; Bendix, J.; Sanyova, J.; Janssens, K.; Mederos-Henry, F. |
| Title |
Formation of zinc oxalate from zinc white in various oil binding media: the influence of atmospheric carbon dioxide by reaction with 13CO2 |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Heritage science |
Abbreviated Journal |
|
| Volume |
8 |
Issue |
1 |
Pages |
126 |
| Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
The formation of metal oxalates in paintings has recently gained a great deal of interest within the field of heritage science as several types of oxalate compounds have been identified in oil paintings. The present work investigates the formation of metal oxalates in linseed oil in the presence of the artists' pigments zinc white, calcite, lead white, zinc yellow, chrome yellow, cadmium yellow, cobalt violet, and verdigris. The oil paint films were artificially photo-aged by exposure to UVA light at low and high relative humidity, and afterwards analysed by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR). The results showed that, compared to the other pigments investigated, zinc white is especially prone to metal oxalate formation and that high humidity is a crucial factor in this process. Consequently, the reactivity and photo-aging of ZnO in various oil binding media was investigated further under simulated solar radiation and at high relative humidity levels. ATR-FTIR showed that zinc oxalate is formed in all oil binding media while X-ray powder diffraction (PXRD) revealed it was mainly present in an amorphous state. To examine whether atmospheric CO2(g) has any influence on the formation of zinc oxalate, experiments with isotopically enriched (CO2(g))-C-13 were performed. Based on ATR-FTIR measurements, neither (ZnC2O4)-C-13 nor (ZnCO3)-C-13 were formed which suggests that the carbon source for the oxalate formation is most likely the paint itself (and its oil component) and not the surrounding atmosphere. |
| 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 |
000596527000001 |
Publication Date |
2020-12-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2050-7445 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.5 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.5; 2020 IF: NA |
| Call Number |
UA @ admin @ c:irua:174381 |
Serial |
7979 |
| Permanent link to this record |
| |
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| |
| Author |
Sabzalipour, A.; Mir, M.; Zarenia, M.; Partoens, B. |
| Title |
Two distinctive regimes in the charge transport of a magnetic topological ultra thin film |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
New Journal Of Physics |
Abbreviated Journal |
New J Phys |
| Volume |
22 |
Issue |
12 |
Pages |
123004 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The effect of the magnetic impurities on the charge transport in a magnetic topological ultra-thin film (MTF) is analytically investigated by applying the semi-classical Boltzmann framework through a modified relaxation-time approximation. Our results for the relaxation time of electrons as well as the charge conductivity of the system exhibit two distinct regimes of transport. We show that the generated charge current in a MTF is always dissipative and anisotropic when both conduction bands are involved in the charge transport. The magnetic impurities induce a chirality selection rule for the transitions of electrons which can be altered by changing the orientation of the magnetic impurities. On the other hand, when a single conduction band participates in the charge transport, the resistivity is isotropic and can be entirely suppressed due to the corresponding chirality selection rule. Our findings propose a method to determine an onset thickness at which a crossover from a three-dimensional magnetic topological insulator to a (two-dimensional) MTF occurs. |
| 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 |
000596436300001 |
Publication Date |
2020-11-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1367-2630 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.3 |
Times cited |
2 |
Open Access |
|
| Notes |
; MZ acknowledges support from the U.S. Department of Energy (Office of Science) under Grant No. DE-FG02- 05ER46203. ; |
Approved |
Most recent IF: 3.3; 2020 IF: 3.786 |
| Call Number |
UA @ admin @ c:irua:174387 |
Serial |
6701 |
| Permanent link to this record |
| |
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| |
| Author |
Reyntjens, P.D.; Tiwari, S.; van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
| Title |
Magnetic properties and critical behavior of magnetically intercalated WSe₂ : a theoretical study |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
2d Materials |
Abbreviated Journal |
2D Mater |
| Volume |
8 |
Issue |
2 |
Pages |
025009 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Transition metal dichalcogenides, intercalated with transition metals, are studied for their potential applications as dilute magnetic semiconductors. We investigate the magnetic properties of WSe2 doped with third-row transition metals (Co, Cr, Fe, Mn, Ti and V). Using density functional theory in combination with Monte Carlo simulations, we obtain an estimate of the Curie or Neel temperature. We find that the magnetic ordering is highly dependent on the dopant type. While Ti and Cr-doped WSe2 have a ferromagnetic ground state, V, Mn, Fe and Co-doped WSe2 are antiferromagnetic in their ground state. For Fe doped WSe2, we find a high Curie-temperature of 327 K. In the case of V-doped WSe2, we find that there are two distinct magnetic phase transitions, originating from a frustrated in-plane antiferromagnetic exchange interaction and a ferromagnetic out-of-plane interaction. We calculate the formation energy and reveal that, in contrast to earlier reports, the formation energy is positive for the intercalated systems studied here. We also show that in the presence of W-vacancies, it becomes favorable for Ti, Fe, and Co to intercalate in WSe2. |
| 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 |
000601127600001 |
Publication Date |
2020-12-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.937 |
Times cited |
1 |
Open Access |
OpenAccess |
| Notes |
; The project or effort depicted was or is sponsored by the Department of Defense, Defense Threat Reduction Agency. The content of the information does not necessarily reflect the position or the policy of the federal government, and no official endorsement should be inferred. This material is based upon work supported by the National Science Foundation under Grant No. 1802166. Any opinions, findings and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation. This work was supported by IMEC's Industrial Affiliation Program. Peter D Reyntjens acknowledges support by the Eugene McDermott Fellowship program, under Grant Number 201806. ; |
Approved |
Most recent IF: 6.937 |
| Call Number |
UA @ admin @ c:irua:174951 |
Serial |
6692 |
| Permanent link to this record |
| |
|
| |
| Author |
Lavor, I.R.; da Costa, D.R.; Chaves, A.; Sena, S.H.R.; Farias, G.A.; Van Duppen, B.; Peeters, F.M. |
| Title |
Effect of zitterbewegung on the propagation of wave packets in ABC-stacked multilayer graphene : an analytical and computational approach |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
33 |
Issue |
9 |
Pages |
095503 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The time evolution of a low-energy two-dimensional Gaussian wave packet in ABC-stacked n-layer graphene (ABC-NLG) is investigated. Expectation values of the position (x, y) of center-of-mass and the total probability densities of the wave packet are calculated analytically using the Green's function method. These results are confirmed using an alternative numerical method based on the split-operator technique within the Dirac approach for ABC-NLG, which additionally allows to include external fields and potentials. The main features of the zitterbewegung (trembling motion) of wave packets in graphene are demonstrated and are found to depend not only on the wave packet width and initial pseudospin polarization, but also on the number of layers. Moreover, the analytical and numerical methods proposed here allow to investigate wave packet dynamics in graphene systems with an arbitrary number of layers and arbitrary potential landscapes. |
| 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 |
000599465000001 |
Publication Date |
2020-11-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
5 |
Open Access |
OpenAccess |
| Notes |
; Discussions with D J P de Sousa and J M Pereira Jr are gratefully acknowledged. This work was financially supported by the Brazilian Council for Research (CNPq), under the PQ and PRONEX/FUNCAP programs, and by CAPES. One of us (BVD) is supported by the FWO-Vl. DRC is supported by CNPq Grant Nos. 310019/2018-4 and 437067/2018-1. ; |
Approved |
Most recent IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:174953 |
Serial |
6687 |
| Permanent link to this record |
