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| Author | Han, F.W.; Xu, W.; Li, L.L.; Zhang, C.; Dong, H.M.; Peeters, F.M. | ||||
| Title | Electronic and transport properties of n-type monolayer black phosphorus at low temperatures | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 95 | Issue | 95 | Pages | 115436 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We present a detailed theoretical study of the electronic and transport properties of monolayer black phosphorus (BP). This study is motivated by recent experimental activities in investigating n-type few-layer BP systems. The electron density of states, the screening length, and the low-temperature electron mobility are calculated for monolayer BP (MLBP). In particular, the electron transport mobilities along the armchair and zigzag directions are examined on the basis of the momentum-balance equation derived from a semiclassical Boltzmann equation. The anisotropic electron mobilities in MLBP along different directions are demonstrated where the electron-impurity scattering is considered. Furthermore, we compare the results obtained from two electronic band structures of MLBP and find that the simplified model can describe quite rightly the electronic and transport properties of MLBP. This study is relevant to the application of few-layer BP based electronic systems as advanced electronic devices. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000399140700012 | Publication Date | 2017-03-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
ISSN  |
2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 12 | Open Access | |
| Notes | National Natural Science Foundation of China, 11574319 11304316 11304317 11604380 ; Ministry of Science and Technology of the People's Republic of China, 2011YQ130018 ; Chinese Academy of Sciences; | Approved | Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @ c:irua:142431 | Serial | 4564 | ||
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| Author | Kleibert, A.; Balan, A.; Yanes, R.; Derlet, P.M.; Vaz, C.A.F.; Timm, M.; Fraile Rodríguez, A.; Béché, A.; Verbeeck, J.; Dhaka, R.S.; Radovic, M.; Nowak, U.; Nolting, F. | ||||
| Title | Direct observation of enhanced magnetism in individual size- and shape-selected 3d transition metal nanoparticles | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 95 | Issue | 95 | Pages | 195404 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Magnetic nanoparticles are critical building blocks for future technologies ranging from nanomedicine to spintronics. Many related applications require nanoparticles with tailored magnetic properties. However, despite significant efforts undertaken towards this goal, a broad and poorly understood dispersion of magnetic properties is reported, even within monodisperse samples of the canonical ferromagnetic 3d transition metals. We address this issue by investigating the magnetism of a large number of size- and shape-selected, individual nanoparticles of Fe, Co, and Ni using a unique set of complementary characterization techniques. At room temperature, only superparamagnetic behavior is observed in our experiments for all Ni nanoparticles within the investigated sizes, which range from 8 to 20 nm. However, Fe and Co nanoparticles can exist in two distinct magnetic states at any size in this range: (i) a superparamagnetic state, as expected from the bulk and surface anisotropies known for the respective materials and as observed for Ni, and (ii) a state with unexpected stable magnetization at room temperature. This striking state is assigned to significant modifications of the magnetic properties arising from metastable lattice defects in the core of the nanoparticles, as concluded by calculations and atomic structural characterization. Also related with the structural defects, we find that the magnetic state of Fe and Co nanoparticles can be tuned by thermal treatment enabling one to tailor their magnetic properties for applications. This paper demonstrates the importance of complementary single particle investigations for a better understanding of nanoparticle magnetism and for full exploration of their potential for applications. | ||||
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| Language | Wos | 000400665300002 | Publication Date | 2017-05-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 21 | Open Access | OpenAccess |
| Notes | We thank A. Weber, R. Schelldorfer, and J. Krbanjevic (Paul Scherrer Institut) for technical assistance. This paper was supported by the Swiss Nanoscience Institute, University of Basel. A.F.R. acknowledges support from the MICIIN “Ramón y Cajal” Programme. A.B. and J.V. acknowledge funding from the European Union under the European Research Council (ERC) Starting Grant No. 278510 VORTEX and under a contract for Integrated Infrastructure Initiative ESTEEM2 No. 312483. R.Y. and U.N. thank the Deutsche Forschungsgemeinschaft for financial support via Sonderforschungsbereich 1214. Part of this work was performed at the Surface/Interface: Microscopy (SIM) beamline of the Swiss Light Source, Paul Scherrer Institut, Villigen, Switzerland. | Approved | Most recent IF: 3.836 | ||
| Call Number | EMAT @ emat @ c:irua:143634UA @ admin @ c:irua:143634 | Serial | 4575 | ||
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| Author | Vagov, A.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Vinokur, V.M.; Aguiar, J.A.; Peeters, F.M. | ||||
| Title | Superconductivity between standard types: Multiband versus single-band materials | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 93 | Issue | 93 | Pages | 174503 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000375527500001 | Publication Date | 2016-05-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 37 | Open Access | |
| Notes | Conselho Nacional de Desenvolvimento Científico e Tecnológico, 307552/2012-8 141911/2012-3 ; Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco, APQ-0589-1.05/08 ; U.S. Department of Energy; | Approved | Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @ c:irua:141732 | Serial | 4480 | ||
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| Author | Tsirlin, A.A.; Rousochatzakis, I.; Filimonov, D.; Batuk, D.; Frontzek, M.; Abakumov, A.M. | ||||
| Title | Spin-reorientation transitions in the Cairo pentagonal magnet Bi4Fe5O13F | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 96 | Issue | 9 | Pages | 094420 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We show that interlayer spins play a dual role in the Cairo pentagonal magnet Bi4Fe5O13F, on one hand mediating the three-dimensional magnetic order, and on the other driving spin-reorientation transitions both within and between the planes. The corresponding sequence of magnetic orders unraveled by neutron diffraction and Mossbauer spectroscopy features two orthogonal magnetic structures described by opposite local vector chiralities, and an intermediate, partly disordered phase with nearly collinear spins. A similar collinear phase has been predicted theoretically to be stabilized by quantum fluctuations, but Bi4Fe5O13F is very far from the relevant parameter regime. While the observed in-plane reorientation cannot be explained by any standard frustration mechanism, our ab initio band-structure calculations reveal strong single-ion anisotropy of the interlayer Fe3+ spins that turns out to be instrumental in controlling the local vector chirality and the associated interlayer order. | ||||
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| Language | Wos | 000411161700002 | Publication Date | 2017-09-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 7 | Open Access | OpenAccess |
| Notes | We are grateful to J.-M. Perez-Mato and Dmitry Khalyavin for valuable discussions on the magnetic structures and symmetries. D.F. and A.A. are grateful to the Russian Science Foundation (Grant No. 14-13-00680) for support. A.T. was supported by the Federal Ministry for Education and Research through the Sofja Kovalevskaya Award of the Alexander von Humboldt Foundation. This work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institut, Villigen, Switzerland. | Approved | Most recent IF: 3.836 | ||
| Call Number | EMAT @ emat @c:irua:146748 | Serial | 4774 | ||
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| Author | Mulkers, J.; Van Waeyenberge, B.; Milošević, M.V. | ||||
| Title | Tunable Snell's law for spin waves in heterochiral magnetic films | Type | A1 Journal article | ||
| Year | 2018 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 97 | Issue | 10 | Pages | 104422 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Thin ferromagnetic films with an interfacially induced DMI exhibit nontrivial asymmetric dispersion relations that lead to unique and useful magnonic properties. Here we derive an analytical expression for the magnon propagation angle within the micromagnetic framework and show how the dispersion relation can be approximated with a comprehensible geometrical interpretation in the k space of the propagation of spin waves. We further explore the refraction of spin waves at DMI interfaces in heterochiral magnetic films, after deriving a generalized Snell's law tunable by an in-plane magnetic field, that yields analytical expressions for critical incident angles. The found asymmetric Brewster angles at interfaces of regions with different DMI strengths, adjustable by magnetic field, support the conclusion that heterochiral ferromagnetic structures are an ideal platform for versatile spin-wave guides. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000428238600006 | Publication Date | 2018-03-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 20 | Open Access | |
| Notes | This work was supported by the Research Foundation- Flanders (FWO-Vlaanderen) through Project No. G098917N. | Approved | Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @c:irua:150118UA @ admin @ c:irua:150118 | Serial | 4915 | ||
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| Author | Cavalcante, L.S.R.; Chaves, A.; Van Duppen, B.; Peeters, F.M.; Reichman, D.R. | ||||
| Title | Electrostatics of electron-hole interactions in van der Waals heterostructures | Type | A1 Journal article | ||
| Year | 2018 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 97 | Issue | 12 | Pages | 125427 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The role of dielectric screening of electron-hole interaction in van der Waals heterostructures is theoretically investigated. A comparison between models available in the literature for describing these interactions is made and the limitations of these approaches are discussed. A simple numerical solution of Poisson's equation for a stack of dielectric slabs based on a transfer matrix method is developed, enabling the calculation of the electron-hole interaction potential at very low computational cost and with reasonable accuracy. Using different potential models, direct and indirect exciton binding energies in these systems are calculated within Wannier-Mott theory, and a comparison of theoretical results with recent experiments on excitons in two-dimensional materials is discussed. | ||||
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| Language | Wos | 000427983700007 | Publication Date | 2018-03-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 22 | Open Access | |
| Notes | Discussions with A. Chernikov and A. Raja are gratefully acknowledged. This work has been financially supported by CNPq, through the PRONEX/FUNCAP, PQ, and Science Without Borders programs, and the FWO-CNPq bilateral program between Brazil and Flanders. B.V.D. acknowledges support from the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. D.R.R. was supported by NSF CHE-1464802. | Approved | Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @c:irua:150835UA @ admin @ c:irua:150835 | Serial | 4953 | ||
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| Author | Bercx, M.; Partoens, B.; Lamoen, D. | ||||
| Title | Quantitative modeling of secondary electron emission from slow-ion bombardment on semiconductors | Type | A1 Journal article | ||
| Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 99 | Issue | 8 | Pages | 085413 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | When slow ions incident on a surface are neutralized, the excess potential energy is passed on to an electron inside the surface, leading to emission of secondary electrons. The microscopic description of this process, as well as the calculation of the secondary electron yield, is a challenging problem due to its complexity as well as its sensitivity to surface properties. One of the first quantitative descriptions was articulated in the 1950s by Hagstrum, who based his calculation on a parametrization of the density of states of the material. In this paper, we present a model for calculating the secondary electron yield, derived from Hagstrum’s initial approach. We use first-principles density functional theory calculations to acquire the necessary input and introduce the concept of electron cascades to Hagstrum’s model in order to improve the calculated spectra, as well as remove its reliance on fitting parameters. We apply our model to He+ and Ne+ ions incident on Ge(111) and Si(111) and obtain yield spectra that match closely to the experimental results of Hagstrum. |
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| Language | Wos | 000458367800010 | Publication Date | 2019-02-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 5 | Open Access | OpenAccess |
| Notes | We would like to thank Prof. D. Depla for the useful discussions on the secondary electron yield. Furthermore, we acknowledge financial support of FWO-Vlaanderen through project G.0216.14N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWOVlaanderen and the Flemish Government-department EWI. | Approved | Most recent IF: 3.836 | ||
| Call Number | EMAT @ emat @UA @ admin @ c:irua:157174 | Serial | 5154 | ||
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| Author | Savchenko, T.M.; Buzzi, M.; Howald, L.; Ruta, S.; Vijayakumar, J.; Timm, M.; Bracher, D.; Saha, S.; Derlet, P.M.; Béché, A.; Verbeeck, J.; Chantrell, R.W.; Vaz, C.A.F.; Nolting, F.; Kleibert, A. | ||||
| Title | Single femtosecond laser pulse excitation of individual cobalt nanoparticles | Type | A1 Journal article | ||
| Year | 2020 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 102 | Issue | 20 | Pages | 205418 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Laser-induced manipulation of magnetism at the nanoscale is a rapidly growing research topic with potential for applications in spintronics. In this work, we address the role of the scattering cross section, thermal effects, and laser fluence on the magnetic, structural, and chemical stability of individual magnetic nanoparticles excited by single femtosecond laser pulses. We find that the energy transfer from the fs laser pulse to the nanoparticles is limited by the Rayleigh scattering cross section, which in combination with the light absorption of the supporting substrate and protective layers determines the increase in the nanoparticle temperature. We investigate individual Co nanoparticles (8 to 20 nm in size) as a prototypical model system, using x-ray photoemission electron microscopy and scanning electron microscopy upon excitation with single femtosecond laser pulses of varying intensity and polarization. In agreement with calculations, we find no deterministic or stochastic reversal of the magnetization in the nanoparticles up to intensities where ultrafast demagnetization or all-optical switching is typically reported in thin films. Instead, at higher fluences, the laser pulse excitation leads to photo-chemical reactions of the nanoparticles with the protective layer, which results in an irreversible change in the magnetic properties. Based on our findings, we discuss the conditions required for achieving laser-induced switching in isolated nanomagnets. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000589602000005 | Publication Date | 2020-11-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9950 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.7 | Times cited | 1 | Open Access | OpenAccess |
| Notes | This work received funding by the Swiss National Foundation (SNF) (Grants No. 200021160186 and No. 2002153540), the Swiss Nanoscience Institute (SNI) (Grant No. SNI P1502), the European Union’s Horizon 2020 research and innovation programme under Grant Agreement No. 737093 (FEMTOTERABYTE), and the COST Action CA17123 (MAGNETOFON). Part of this work was performed at the SIM beamline of the Swiss Light Source (SLS), Paul Scherrer Institut, Villigen, Switzerland. Part of the simulations were undertaken on the VIKING cluster, which is a high-performance compute facility provided by the University of York. We kindly acknowledge Anja Weber from PSI for preparation of substrates with marker structures. A.B. and Jo Verbeeck acknowledge funding through FWO Project No. G093417N (“Compressed sensing enabling low dose imaging in transmission electron microscopy”) from the Flanders Research Fund. Jo Verbeeck acknowledges funding from the European Union’s Horizon 2020 research and innovation program under Grant Agreement No. 823717 – ESTEEM3. S.S. acknowledges ETH Zurich Post-Doctoral fellowship and Marie Curie actions for people COFUND program.; esteem3JRA; esteem3reported | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
| Call Number | EMAT @ emat @c:irua:174273 | Serial | 6669 | ||
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| Author | Bacaksiz, C.; Šabani, D.; Menezes, R.M.; Milošević, M.V. | ||||
| Title | Distinctive magnetic properties of CrI3 and CrBr3 monolayers caused by spin-orbit coupling | Type | A1 Journal article | ||
| Year | 2021 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 103 | Issue | 12 | Pages | 125418 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | After the discovery of magnetism in monolayer CrI3, the magnetic properties of different 2D materials from the chromium-trihalide family are intuitively assumed to be similar, yielding magnetic anisotropy from the spin-orbit coupling on halide ligands. Here we reveal significant differences between the CrI3 and CrBr3 magnetic monolayers in their magnetic anisotropy, resulting Curie temperature, hysteresis in external magnetic field, and evolution of magnetism with strain, all predominantly attributed to distinctly different interplay of atomic contributions to spin-orbit coupling in two materials. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000646179300003 | Publication Date | 2021-03-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | OpenAccess |
| Notes | Fonds Wetenschappelijk Onderzoek; Universiteit Antwerpen; | Approved | Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @c:irua:177506 | Serial | 6756 | ||
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| Author | Claes, J.; Partoens, B.; Lamoen, D. | ||||
| Title | Decoupled DFT-1/2 method for defect excitation energies | Type | A1 Journal Article | ||
| Year | 2023 | Publication | Physical Review B | Abbreviated Journal | Phys. Rev. B |
| Volume | 108 | Issue | 12 | Pages | 125306 |
| Keywords | A1 Journal Article; Condensed Matter Theory (CMT) ; | ||||
| Abstract | The DFT-1/2 method is a band-gap correction with GW precision at a density functional theory (DFT) computational cost. The method was also extended to correct the gap between defect levels, allowing for the calculation of optical transitions. However, this method fails when the atomic character of the occupied and unoccupied defect levels is similar as we illustrate by two examples, the tetrahedral hydrogen interstitial and the negatively charged vacancy in diamond. We solve this problem by decoupling the effect of the occupied and unoccupied defect levels and call this the decoupled DFT-1/2 method for defects. | ||||
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| Language | Wos | 001089302800003 | Publication Date | 2023-09-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9950 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.7 | Times cited | Open Access | Not_Open_Access | |
| Notes | This work was supported by the FWO (Research Foundation-Flanders), Project No. G0D1721N. This work was performed in part using HPC resources from the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government department EWI (Economie, Wetenschap & Innovatie). | Approved | Most recent IF: 3.7; 2023 IF: 3.836 | ||
| Call Number | CMT @ cmt @c:irua:201287 | Serial | 8976 | ||
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| Author | Klimin, S.N.; Tempere, J.; Verhelst, N.; Milošević, M.V. | ||||
| Title | Finite-temperature vortices in a rotating Fermi gas | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical review A | Abbreviated Journal | Phys Rev A |
| Volume | 94 | Issue | 94 | Pages | 023620 |
| Keywords | A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) | ||||
| Abstract | Vortices and vortex arrays have been used as a hallmark of superfluidity in rotated, ultracold Fermi gases. These superfluids can be described in terms of an effective field theory for a macroscopic wave function representing the field of condensed pairs, analogous to the Ginzburg-Landau theory for superconductors. Here we establish how rotation modifies this effective field theory, by rederiving it starting from the action of Fermi gas in the rotating frame of reference. The rotation leads to the appearance of an effective vector potential, and the coupling strength of this vector potential to the macroscopic wave function depends on the interaction strength between the fermions, due to a renormalization of the pair effective mass in the effective field theory. The mass renormalization derived here is in agreement with results of functional renormalization-group theory. In the extreme Bose-Einstein condensate regime, the pair effective mass tends to twice the fermion mass, in agreement with the physical picture of a weakly interacting Bose gas of molecular pairs. Then we use our macroscopic-wave-function description to study vortices and the critical rotation frequencies to form them. Equilibrium vortex state diagrams are derived and they are in good agreement with available results of the Bogoliubov-de Gennes theory and with experimental data. | ||||
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| Publisher | American Physical Society | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000381473100001 | Publication Date | 2016-08-16 | |
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| ISSN |
2469-9934 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.925 | Times cited | 6 | Open Access | |
| Notes | ; We are grateful to G. C. Strinati and H. Warringa for valuable discussions. This research was supported by the Flemish Research Foundation Projects No. G.0115.12N, No. G.0119.12N, No. G.0122.12N, and No. G.0429.15N, by the Scientific Research Network of the Flemish Research Foundation, Grant No. WO.033.09N, and by the Research Fund of the University of Antwerp. ; | Approved | Most recent IF: 2.925 | ||
| Call Number | UA @ lucian @ c:irua:135686 | Serial | 4304 | ||
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| Author | Orlova, N.V.; Kuopanportti, P.; Milošević, M.V. | ||||
| Title | Skyrmionic vortex lattices in coherently coupled three-component Bose-Einstein condensates | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical Review A | Abbreviated Journal | Phys Rev A |
| Volume | 94 | Issue | 2 | Pages | 023617 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We show numerically that a harmonically trapped and coherently Rabi-coupled three-component Bose-Einstein condensate can host unconventional vortex lattices in its rotating ground state. The discovered lattices incorporate square and zig-zag patterns, vortex dimers and chains, and doubly quantized vortices, and they can be quantitatively classified in terms of a skyrmionic topological index, which takes into account the multicomponent nature of the system. The exotic ground-state lattices arise due to the intricate interplay of the repulsive density-density interactions and the Rabi couplings as well as the ubiquitous phase frustration between the components. In the frustrated state, domain walls in the relative phases can persist between some components even at strong Rabi coupling, while vanishing between others. Consequently, in this limit the three-component condensate effectively approaches a two-component condensate with only density-density interactions. At intermediate Rabi coupling strengths, however, we face unique vortex physics that occurs neither in the two-component counterpart nor in the purely density-density-coupled three-component system. | ||||
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| Language | Wos | 000381303800006 | Publication Date | 2016-08-12 | |
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| ISSN |
2469-9926;2469-9934; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.925 | Times cited | 16 | Open Access | |
| Notes | ; This work was supported by the Research Foundation Flanders (FWO). P. K. acknowledges financial support from the Emil Aaltonen Foundation, the Finnish Cultural Foundation, the Magnus Ehrnrooth Foundation, and the Technology Industries of Finland Centennial Foundation. The authors thank R. P. Anderson, E. Babaev, I. O. Cherednikov, V. R. Misko, T. P. Simula, and J. Tempere for useful comments and discussions. ; | Approved | Most recent IF: 2.925 | ||
| Call Number | UA @ lucian @ c:irua:144673 | Serial | 4688 | ||
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| Author | Clark, L.; Guzzinati, G.; Béché, A.; Lubk, A.; Verbeeck, J. | ||||
| Title | Symmetry-constrained electron vortex propagation | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical review A | Abbreviated Journal | Phys Rev A |
| Volume | 93 | Issue | 93 | Pages | 063840 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Electron vortex beams hold great promise for development in transmission electron microscopy but have yet to be widely adopted. This is partly due to the complex set of interactions that occur between a beam carrying orbital angular momentum (OAM) and a sample. Herein, the system is simplified to focus on the interaction between geometrical symmetries, OAM, and topology. We present multiple simulations alongside experimental data to study the behavior of a variety of electron vortex beams after interacting with apertures of different symmetries and investigate the effect on their OAM and vortex structure, both in the far field and under free-space propagation. | ||||
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| Language | Wos | 000378197200006 | Publication Date | 2016-06-23 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9926 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.925 | Times cited | 7 | Open Access | |
| Notes | L.C., A.B., G.G., and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510—VORTEX. J.V. and A.L. acknowledge financial support from the European Union through the 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). The Qu-Ant-EM microscope was partly funded by the Hercules fund of the Flemish Government.; esteem2jra3; ECASJO; | Approved | Most recent IF: 2.925 | ||
| Call Number | c:irua:134086 c:irua:134086 | Serial | 4090 | ||
| Permanent link to this record | |||||
| Author | Juchtmans, R.; Guzzinati, G.; Verbeeck, J. | ||||
| Title | Extension of Friedel's law to vortex-beam diffraction | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical Review A | Abbreviated Journal | Phys Rev A |
| Volume | 94 | Issue | 94 | Pages | 033858 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Friedel's law states that the modulus of the Fourier transform of real functions is centrosymmetric, while the phase is antisymmetric. As a consequence of this, elastic scattering of plane-wave photons or electrons within the first-order Born-approximation, as well as Fraunhofer diffraction on any aperture, is bound to result in centrosymmetric diffraction patterns. Friedel's law, however, does not apply for vortex beams, and centrosymmetry in general is not present in their diffraction patterns. In this work we extend Friedel's law for vortex beams by showing that the diffraction patterns of vortex beams with opposite topological charge, scattered on the same two-dimensional potential, always are centrosymmetric to one another, regardless of the symmetry of the scattering object. We verify our statement by means of numerical simulations and experimental data. Our research provides deeper understanding in vortex-beam diffraction and can be used to design new experiments to measure the topological charge of vortex beams with diffraction gratings or to study general vortex-beam diffraction. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000384374500010 | Publication Date | 2016-09-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9926 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.925 | Times cited | 13 | Open Access | |
| Notes | The authors acknowledge support from the FWO (Aspirant Fonds Wetenschappelijk Onderzoek – Vlaanderen) and the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2 and ERC Starting Grant No. 278510 VORTEX.; ECASJO_; | Approved | Most recent IF: 2.925 | ||
| Call Number | EMAT @ emat @ c:irua:137200UA @ admin @ c:irua:137200 | Serial | 4314 | ||
| Permanent link to this record | |||||
| Author | Juchtmans, R.; Clark, L.; Lubk, A.; Verbeeck, J. | ||||
| Title | Spiral phase plate contrast in optical and electron microscopy | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical review A | Abbreviated Journal | Phys Rev A |
| Volume | 94 | Issue | 94 | Pages | 023838 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The use of phase plates in the back focal plane of a microscope is a well-established technique in optical microscopy to increase the contrast of weakly interacting samples and is gaining interest in electron microscopy as well. In this paper we study the spiral phase plate (SPP), also called helical, vortex, or two-dimensional Hilbert phase plate, which adds an angularly dependent phase of the form exp(iℓϕk) to the exit wave in Fourier space. In the limit of large collection angles, we analytically calculate that the average of a pair of l=+-1 SPP filtered images is directly proportional to the gradient squared of the exit wave, explaining the edge contrast previously seen in optical SPP work. We discuss the difference between a clockwise-anticlockwise pair of SPP filtered images and derive conditions under which the modulus of the wave's gradient can be seen directly from one SPP filtered image. This work provides the theoretical background to interpret images obtained with a SPP, thereby opening new perspectives for new experiments to study, for example, magnetic materials in an electron microscope. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000381882800011 | Publication Date | 2016-08-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9926 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.925 | Times cited | 10 | Open Access | |
| Notes | The authors acknowledge support from the FWO (Aspirant Fonds Wetenschappelijk Onderzoek – Vlaanderen) and the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2 and ERC Starting Grant No. 278510 VORTEX.; ECASJO_ | Approved | Most recent IF: 2.925 | ||
| Call Number | EMAT @ emat @ c:irua:140086 | Serial | 4418 | ||
| Permanent link to this record | |||||
| Author | Privat-Maldonado, A.; Gorbanev, Y.; O'Connell, D.; Vann, R.; Chechik, V.; van der Woude, M.W. | ||||
| Title | Nontarget biomolecules alter macromolecular changes induced by bactericidal low-temperature plasma | Type | A1 Journal article | ||
| Year | 2018 | Publication | IEEE transactions on radiation and plasma medical sciences | Abbreviated Journal | |
| Volume | 2 | Issue | 2 | Pages | 121-128 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Low-temperature plasmas (LTPs) have a proven bactericidal activity governed by the generated reactive oxygen and nitrogen species (RONS) that target microbial cell components. However, RONS also interact with biomolecules in the environment. Here we assess the impact of these interactions upon exposure of liquid suspensions with variable organic content to an atmospheric-pressure dielectric barrier discharge plasma jet. Salmonella enterica serovar Typhimurium viability in the suspension was reduced in the absence [e. g., phosphate buffered saline (PBS)], but not in the presence of (high) organic content [Dulbecco's Modified Eagle's Medium (DMEM), DMEM supplemented with foetal calf serum, and Lysogeny Broth]. The reduced viability of LTP-treated bacteria in PBS correlated to a loss of membrane integrity, whereas double-strand DNA breaks could not be detected in treated single cells. The lack of bactericidal activity in solutions with high organic content correlated with a relative decrease of center dot OH and O-3/O-2(a(1)Delta g)/O, and an increase of H2O2 and NO2- in the plasma-treated solutions. These results indicate that the redox reactions of LTP-generated RONS with nontarget biomolecules resulted in a RONS composition with reduced bactericidal activity. Therefore, the chemical composition of the bacterial environment should be considered in the development of LTP for antimicrobial treatment, and may affect other biomedical applications as well. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000456148700007 | Publication Date | 2017-10-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-7311; 2469-7303 | 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:156820 | Serial | 8316 | ||
| Permanent link to this record | |||||
| Author | Laroussi, M.; Bekeschus, S.; Keidar, M.; Bogaerts, A.; Fridman, A.; Lu, X.; Ostrikov, K.; Hori, M.; Stapelmann, K.; Miller, V.; Reuter, S.; Laux, C.; Mesbah, A.; Walsh, J.; Jiang, C.; Thagard, S.M.; Tanaka, H.; Liu, D.; Yan, D.; Yusupov, M. | ||||
| Title | Low-Temperature Plasma for Biology, Hygiene, and Medicine: Perspective and Roadmap | Type | A1 Journal article | ||
| Year | 2022 | Publication | IEEE transactions on radiation and plasma medical sciences | Abbreviated Journal | IEEE Trans. Radiat. Plasma Med. Sci. |
| Volume | 6 | Issue | 2 | Pages | 127-157 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma, the fourth and most pervasive state of matter in the visible universe, is a fascinating medium that is connected to the beginning of our universe itself. Man-made plasmas are at the core of many technological advances that include the fabrication of semiconductor devices, which enabled the modern computer and communication revolutions. The introduction of low temperature, atmospheric pressure plasmas to the biomedical field has ushered a new revolution in the healthcare arena that promises to introduce plasma-based therapies to combat some thorny and long-standing medical challenges. This article presents an overview of where research is at today and discusses innovative concepts and approaches to overcome present challenges and take the field to the next level. It is written by a team of experts who took an in-depth look at the various applications of plasma in hygiene, decontamination, and medicine, made critical analysis, and proposed ideas and concepts that should help the research community focus their efforts on clear and practical steps necessary to keep the field advancing for decades to come. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000750257400005 | Publication Date | 2021-12-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-7311 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | Research Foundation—Flanders, 1200219N ; | Approved | Most recent IF: NA | ||
| Call Number | PLASMANT @ plasmant @c:irua:185875 | Serial | 6907 | ||
| Permanent link to this record | |||||
| Author | Mortazavi, B.; Bafekry, A.; Shahrokhi, M.; Rabczuk, T.; Zhuang, X. | ||||
| Title | ZnN and ZnP as novel graphene-like materials with high Li-ion storage capacities | Type | A1 Journal article | ||
| Year | 2020 | Publication | Materials today energy | Abbreviated Journal | |
| Volume | 16 | Issue | Pages | Unsp 100392-8 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | In this work, we employed first-principles density functional theory (DFT) calculations to investigate the dynamical and thermal stability of graphene-like ZnX (X = N, P, As) nanosheets. We moreover analyzed the electronic, mechanical and optical properties of these novel two-dimensional (2D) systems. Acquired phonon dispersion relations reveal the absence of imaginary frequencies and thus confirming the dynamical stability of predicted monolayers. According to ab-initio molecular dynamics results however only ZnN and ZnP exhibit the required thermally stability. The elastic modulus of ZnN, ZnP and ZnAs are estimated to be 31, 21 and 17 N/m, respectively, and the corresponding tensile strengths values are 6.0, 4.9 and 4.0 N/m, respectively. Electronic band structure analysis confirms the metallic electronic character for the predicted monolayers. Results for the optical characteristics also indicate a reflectivity of 100% at extremely low energy levels, which is desirable for photonic and optoelectronic applications. According to our results, graphene-like ZnN and ZnP nanosheets can yield high capacities of 675 and 556 mAh/g for Li-ion storage, respectively. Acquired results confirm the stability and acceptable strength of ZnN and ZnP nanosheets and highlight their attractive application prospects in optical and energy storage systems. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000539083500049 | Publication Date | 2020-02-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2468-6069 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.3 | Times cited | 13 | Open Access | |
| Notes | ; B. M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ; | Approved | Most recent IF: 9.3; 2020 IF: NA | ||
| Call Number | UA @ admin @ c:irua:169752 | Serial | 6655 | ||
| Permanent link to this record | |||||
| Author | Van Echelpoel, R.; Kranenburg, R.; van Asten, A.; De Wael, K. | ||||
| Title | Electrochemical detection of MDMA and 2C-B in ecstasy tablets using a selectivity enhancement strategy by in-situ derivatization | Type | A1 Journal article | ||
| Year | 2022 | Publication | Forensic chemistry | Abbreviated Journal | |
| Volume | 27 | Issue | Pages | 100383 | |
| Keywords | A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
| Abstract | Forensic drug laboratories are confronted with increasing amounts of drugs and a demand for faster results that are directly available on-site. In addition, the drug market is getting more complex with hundreds of new psychoactive substances (NPS) entering the market in recent years. Rapid and on-scene presumptive drug testing therefore faces a shift from manual colorimetric tests towards approaches that can detect a wider range of components and process results automatically. Electrochemical detection offers these desired characteristics, making it a suitable candidate for on-site drug detection. In this study, a two-step electrochemical sensor is introduced for the detection of MDMA and 2C-B. Firstly, a direct electrochemical analysis was performed to detect MDMA. Validation experiments on over 70 substances revealed that 2C-B was the only frequently encountered drug that gave a false positive result for MDMA in this first analysis. A second step using in-situ derivatization was subsequently introduced. To this end, formaldehyde was used for N-methylation of 2C-B thereby enhancing its electrochemical profile. The enriched electrochemical fingerprint in the second step allowed for clear differentiation between MDMA and 2C-B. The applicability of this approach was demonstrated with 71 ecstasy tablets seized by the Amsterdam Police. The MDMA/2C-B sensor correctly identified all 39 MDMA-containing tablets and 10 out of 11 tablets containing 2C-B. Most notably, correct results were also obtained for dark colored tablets in which both spectroscopic analysis and colorimetric tests failed due to obscured signals. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000725708200002 | Publication Date | 2021-11-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2468-1709 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.7 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 2.7 | |||
| Call Number | UA @ admin @ c:irua:183340 | Serial | 7149 | ||
| Permanent link to this record | |||||
| Author | Vlasov, E.; Denisov, N.; Verbeeck, J. | ||||
| Title | Low-cost electron detector for scanning electron microscope | Type | A1 Journal article | ||
| Year | 2023 | Publication | HardwareX | Abbreviated Journal | HardwareX |
| Volume | 14 | Issue | Pages | e00413 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Electron microscopy is an indispensable tool for the characterization of (nano) materials. Electron microscopes are typically very expensive and their internal operation is often shielded from the user. This situation can provide fast and high quality results for researchers focusing on e.g. materials science if they have access to the relevant instruments. For researchers focusing on technique development, wishing to test novel setups, however, the high entry price can lead to risk aversion and deter researchers from innovating electron microscopy technology further. The closed attitude of commercial entities about how exactly the different parts of electron microscopes work, makes it even harder for newcomers in this field. Here we propose an affordable, easy-to-build electron detector for use in a scanning electron microscope (SEM). The aim of this project is to shed light on the functioning of such detectors as well as show that even a very modest design can lead to acceptable performance while providing high flexibility for experimentation and customization. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001042486000001 | Publication Date | 2023-03-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2468-0672 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 1 | Open Access | OpenAccess | |
| Notes | The authors acknowledge the financial support of the Research Foundation Flanders (FWO, Belgium) project SBO [Grant No. S000121N]. JV acknowledges funding from the HORIZON-INFRA-2022-TECH-01-01 project IMPRESS [Grant No. 101094299]. | Approved | Most recent IF: NA | ||
| Call Number | EMAT @ emat @c:irua:195886 | Serial | 7252 | ||
| Permanent link to this record | |||||
| Author | Hoat, D.M.; Duy Khanh Nguyen; Bafekry, A.; Vo Van On; Ul Haq, B.; Hoang, D.-Q.; Cocoletzi, G.H.; Rivas-Silva, J.F. | ||||
| Title | Developing feature-rich electronic and magnetic properties in the beta-As monolayer for spintronic and optoelectronic applications by C and Si doping : a first-principles study | Type | A1 Journal article | ||
| Year | 2021 | Publication | Surfaces and interfaces | Abbreviated Journal | |
| Volume | 27 | Issue | Pages | 101534 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | In this work, the carbon (C) and silicon (Si) doping and codoping effects on beta-arsenene (As) monolayer structural, electronic, and magnetic properties have been comprehensively investigated using first-principles calculations. The studied two-dimensional (2D) materials exhibit good stability. Pristine beta-As single layer is an indirect gap semiconductor with a band gap of 1.867(2.441) eV as determined by PBE(HSE06) functional. Due to the difference in atomic size and electronic interactions, C and Si substitution induces a significant local structural distortion. Depending upon dopant concentration and doping sites, feature-rich electronic properties including non-magnetic semiconductor, magnetic semiconductor and half-metallicity may be obtained, which result from p-p interactions. High spin-polarization at the Fermi level vicinity and significant magnetism suggest As:1C, As:2C, As:1Si, As:2Si, and As:CSi systems as prospective spintronic 2D materials. While, the C-C, Si-Si, and C-Si dimer doping decreases electronic band gap, making the layer more suitable for applications in optoelectronic devices. Results presented herein may suggest an efficient approach to create novel multi-functional 2D materials from beta-As monolayer. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000711791100002 | Publication Date | 2021-10-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2468-0230 | 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:184138 | Serial | 6979 | ||
| Permanent link to this record | |||||
| Author | Cui, Z.; Hao, Y.; Jafarzadeh, A.; Li, S.; Bogaerts, A.; Li, L. | ||||
| Title | The adsorption and decomposition of SF6 over defective and hydroxylated MgO surfaces: A DFT study | Type | A1 Journal article | ||
| Year | 2023 | Publication | Surfaces and interfaces | Abbreviated Journal | |
| Volume | 36 | Issue | Pages | 102602 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma degradation is one of the most effective methods for the abatement of greenhouse gas sulfur hexafluoride (SF6). To evaluate the potential of MgO as a catalyst in plasma degradation, we investigate the catalytic properties of MgO on SF6 adsorption and activation by density functional theory (DFT) where the O-defective and hydroxylated surfaces are considered as two typical plasma-generated surfaces. Our results show that perfect MgO (001) and (111) surfaces cannot interact with SF6 and only physical adsorption happens. In case of Odefective MgO surfaces, the O vacancy is the most stable adsorption site. SF6 undergoes a decomposition to SF5 and F over the O-defective MgO (001) surface and undergoes an elongation of the bottom S-F bond over the Odefective (111) surface. Besides, SF6 shows a physically adsorption at the stepsite of the MgO (001) surface, accompanied by small changes in its bond angle and length. Furthermore, SF6 is found to be physically and chemically adsorbed over 0.5 and 1.0 ML (monolayer) H-covered O-terminated MgO (111) surfaces, respectively. The SF6 molecule undergoes a self-decomposition on the 1.0 ML hydroxylated surface via a surface bonding process. This study shows that defective and hydroxylated MgO surfaces have the surface capacities for SF6 activation, which shows that MgO has potential as packing material in SF6 waste treatment in packed-bed plasmas. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000916285000001 | Publication Date | 2022-12-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2468-0230 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.2 | Times cited | Open Access | OpenAccess | |
| Notes | National Natural Science Foundation of China, 52207155 ; Fonds Wetenschappelijk Onderzoek; Vlaams Supercomputer Centrum; Vlaamse regering; | Approved | Most recent IF: 6.2; 2023 IF: NA | ||
| Call Number | PLASMANT @ plasmant @c:irua:194364 | Serial | 7244 | ||
| Permanent link to this record | |||||
| Author | Vladimirova, N.V.; Frolov, A.S.; Sanchez-Barriga, J.; Clark, O.J.; Matsui, F.; Usachov, D.Y.; Muntwiler, M.; Callaert, C.; Hadermann, J.; Neudachina, V.S.; Tamm, M.E.; Yashina, L.V. | ||||
| Title | Occupancy of lattice positions probed by X-ray photoelectron diffraction : a case study of tetradymite topological insulators | Type | A1 Journal article | ||
| Year | 2023 | Publication | Surfaces and interfaces | Abbreviated Journal | |
| Volume | 36 | Issue | Pages | 102516-10 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Occupancy of different structural positions in a crystal lattice often seems to play a key role in material prop-erties. Several experimental techniques have been developed to uncover this issue, all of them being mostly bulk sensitive. However, many materials including topological insulators (TIs), which are among the most intriguing modern materials, are intended to be used in devices as thin films, for which the sublattice occupancy may differ from the bulk. One of the possible approaches to occupancy analysis is X-ray Photoelectron Diffraction (XPD), a structural method in surface science with chemical sensitivity. We applied this method in a case study of Sb2(Te1-xSex)3 mixed crystals, which belong to prototypical TIs. We used high-angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) as a reference method to verify our analysis. We revealed that the XPD data for vacuum cleaved bulk crystals are in excellent agreement with the reference ones. Also, we demonstrate that the anion occupancy near a naturally formed surface can be rather different from that of the bulk. The present results are relevant for a wide range of compositions where the system remains a topological phase, as we ultimately show by probing the transiently occupied topological surface state above the Fermi level by ultrafast photoemission. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000901694900001 | Publication Date | 2022-11-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2468-0230 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 6.2 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 6.2; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:193502 | Serial | 7327 | ||
| Permanent link to this record | |||||
| Author | Surmenev, R.A.; Grubova, I.Y.; Neyts, E.; Teresov, A.D.; Koval, N.N.; Epple, M.; Tyurin, A.I.; Pichugin, V.F.; Chaikina, M.V.; Surmeneva, M.A. | ||||
| Title | Ab initio calculations and a scratch test study of RF-magnetron sputter deposited hydroxyapatite and silicon-containing hydroxyapatite coatings | Type | A1 Journal article | ||
| Year | 2020 | Publication | Surfaces and interfaces | Abbreviated Journal | |
| Volume | 21 | Issue | Pages | ||
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | A crucial property for implants is their biocompatibility. To ensure biocompatibility, thin coatings of hydroxyapatite (HA) are deposited on the actual implant. In this study, we investigate the effects of the addition of silicate anions to the structure of hydroxyapatite coatings on their adhesion strength via a scratch test and ab initio calculations. We find that both the grain size and adhesion strength decrease with the increase in the silicon content in the HA coating (SiHA). The increase in the silicon content to 1.2 % in the HA coating leads to a decrease in the average crystallite size from 28 to 21 nm, and in the case of 4.6 %, it leads to the formation of an amorphous or nanocrystalline film. The decreases in the grain and crystallite sizes lead to peeling and destruction of the coating from the titanium substrate at lower loads. Further, our ab initio simulations demonstrate an increased number of molecular bonds at the amorphous SiHA-TiO2 interface. However, the experimental results revealed that the structure and grain size have more pronounced effects on the adhesion strength of the coatings. In conclusion, based on the results of the ab initio simulations and the experimental results, we suggest that the presence of Si in the form of silicate ions in the HA coating has a significant impact on the structure, grain size, and number of molecular bonds at the interface and on the adhesion strength of the SiHA coating to the titanium substrate. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000697616300009 | Publication Date | 2020-10-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2468-0230 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.2 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 6.2; 2020 IF: NA | |||
| Call Number | UA @ admin @ c:irua:181685 | Serial | 7400 | ||
| Permanent link to this record | |||||
| Author | Ozdemir, I.; Arkin, H.; Milošević, M.V.; V. Barth, J.; Aktuerk, E. | ||||
| Title | Exploring the adsorption mechanisms of neurotransmitter and amino acid on Ti3C2-MXene monolayer : insights from DFT calculations | Type | A1 Journal article | ||
| Year | 2024 | Publication | Surfaces and interfaces | Abbreviated Journal | |
| Volume | 46 | Issue | Pages | 104169-9 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | In this study, we conducted a systematic density functional theory (DFT) investigation of the interaction between Ti3C2-MXene monolayer and biological molecules dopamine (DA) and serine (Ser) as neurotransmitter and amino acid, respectively. Our calculations show good agreement with previous literature findings for the optimized Ti3C2 monolayer. We found that DA and Ser molecules bind to the Ti3C2 surface with adsorption energies of -2.244 eV and -3.960 eV, respectively. The adsorption of Ser resulted in the dissociation of one H atom. Electronic density of states analyses revealed little changes in the electronic properties of the Ti3C2-MXene monolayer upon adsorption of the biomolecules. We further investigated the interaction of DA and Ser with Ti3C2 monolayers featuring surface -termination with OH functional group, and Ti -vacancy. Our calculations indicate that the adsorption energies significantly decrease in the presence of surface termination, with adsorption energies of -0.097 eV and -0.330 eV for DA and Ser, respectively. Adsorption energies on the Ti -vacancy surface, on the other hand, are calculated to be -3.584 eV and -3.856 eV for DA and Ser, respectively. Our results provide insights into the adsorption behavior of biological molecules on Ti3C2-MXene, demonstrating the potential of this material for biosensing and other biomedical applications. These findings highlight the importance of surface modifications in the development of functional materials and devices based on Ti3C2-MXene, and pave the way for future investigations into the use of 2D materials for biomedical applications. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001206950300001 | Publication Date | 2024-03-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2468-0230 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.2 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 6.2; 2024 IF: NA | |||
| Call Number | UA @ admin @ c:irua:205977 | Serial | 9150 | ||
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| Author | Khalilov, U.; Yusupov, M.; Eshonqulov, Gb.; Neyts, Ec.; Berdiyorov, Gr. | ||||
| Title | Atomic level mechanisms of graphene healing by methane-based plasma radicals | Type | A1 Journal article | ||
| Year | 2023 | Publication | FlatChem | Abbreviated Journal | FlatChem |
| Volume | 39 | Issue | Pages | 100506 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000990342500001 | Publication Date | 2023-04-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2452-2627 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 6.2 | Times cited | Open Access | OpenAccess | |
| Notes | U.K., M.Y. and G.B.E. acknowledge the support of the Agency for Innovative Development of the Republic of Uzbekistan (Grant numbers F-FA-2021-512 and FZ-2020092435). The computational resources and services used in this work were partially provided by the HPC core facility CalcUA of the Universiteit Antwerpen and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. | Approved | Most recent IF: 6.2; 2023 IF: NA | ||
| Call Number | PLASMANT @ plasmant @c:irua:197442 | Serial | 8813 | ||
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| Author | Baetens, D.; Schoofs, K.; Somers, N.; Denys, S. | ||||
| Title | A brief review on Multiphysics modelling of the various physical and chemical phenomena occurring in active oxidation reactors | Type | A1 Journal article | ||
| Year | 2023 | Publication | Current opinion in green and sustainable chemistry | Abbreviated Journal | |
| Volume | 40 | Issue | Pages | 100764-100766 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Heterogeneous photocatalysis can be used as an advanced oxidation technology frequently studied for application in photoreactors for air and water treatment. Extensive experimental investigation entails high costs and is also time consuming. Multiphysics modelling, a relatively new numerical method, provides a cost-effective and valuable alternative. By reconstructing the reactor geometry in dedicated software, meshing it and solving for occurring physical and chemical phenomena, Multiphysics models can be used to evaluate the performance of different reactor designs, increase insight into the occurring phenomena and study the influence of operational parameters on reactor performance. Finally, Multiphysics models are also developed for various applications like optimising the operational parameters, creating the ideal reactor design or scaling up a lab-scale reactor to a realistic prototype. | ||||
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| Language | Wos | 000947344000001 | Publication Date | 2023-02-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2452-2236 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 9.3 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 9.3; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:195208 | Serial | 7278 | ||
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| Author | Perreault, P.; Van Hoecke, L.; Pourfallah, H.; Kummamuru, N.B.; Boruntea, C.-R.; Preuster, P. | ||||
| Title | Critical challenges towards the commercial rollouts of a LOHC-based H2 economy | Type | A1 Journal article | ||
| Year | 2023 | Publication | Current opinion in green and sustainable chemistry | Abbreviated Journal | |
| Volume | 41 | Issue | Pages | 100836-100838 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | This short review discusses recent developments related to the storage and release of hydrogen from liquid organic hydrogen carriers (LOHCs). It focusses on three areas of recent literature: the application and development of novel, alternative LOHC systems, process development and process integration in the storage and release of hydrogen from LOHCs, and the electrochemical conversion of LOHCs. For the novel LOHC systems, we briefly focus on reaction enthalpy and storage capacity as main KPIs for the comparison of those systems and discuss the technical availability on a relevant scale. In the field of process- and reactor development our emphasis lies on the power density of the chemical conversion units. The LOHC technology still requires further development to reach the necessary energy efficiency, flexibility and overall research maturity for market competitivity and commercial impact. | ||||
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| Language | Wos | 001019180100001 | Publication Date | 2023-05-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2452-2236 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.3 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 9.3; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:196520 | Serial | 8845 | ||
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| Author | Perreault, P.; Preuster, P. | ||||
| Title | Editorial hydrogen production storage and use | Type | Editorial | ||
| Year | 2023 | Publication | Current opinion in green and sustainable chemistry | Abbreviated Journal | |
| Volume | 44 | Issue | Pages | 100861-100863 | |
| Keywords | Editorial; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | In the pursuit of clean and sustainable energy sources, hydrogen has emerged as a key contender, offering high energy density and the potential to serve as a carbon-neutral fuel. However, one of the major challenges associated with hydrogen is efficient and safe storage and transportation. In this Special Edition, we delve into the exciting developments in the upcoming hydrogen economy, from its sustainable production to chemical hydrogen storage. Some of our reviews focus on particular technologies namely on liquid organic hydrogen carriers (LOHCs) and the utilization of ammonia as a hydrogen carrier. | ||||
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| Language | Wos | 001079651000001 | Publication Date | 2023-08-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2452-2236 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 9.3 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 9.3; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:198505 | Serial | 8853 | ||
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| Author | Verbruggen, S.W.; Mul, G. | ||||
| Title | Editorial overview : photocatalysis 2022 shining light on a diversity of research opportunities | Type | Editorial | ||
| Year | 2023 | Publication | Current opinion in green and sustainable chemistry | Abbreviated Journal | |
| Volume | 42 | Issue | Pages | 100838-2 | |
| Keywords | Editorial; Engineering sciences. Technology | ||||
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| Language | Wos | 001034184800001 | Publication Date | 2023-06-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2452-2236 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 9.3 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 9.3; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:197220 | Serial | 8854 | ||
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