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Author | Ryabova, A.S.; Bonnefont, A.; Zagrebin, P.; Poux, T.; Sena, R.P.; Hadermann, J.; Abakumov, A.M.; Kerangueven, G.; Istomin, S.Y.; Antipov, E.V.; Tsirlina, G.A.; Savinova, E.R. | ||||
Title | Study of hydrogen peroxide reactions on manganese oxides as a tool to decode the oxygen reduction reaction mechanism | Type | A1 Journal article | ||
Year | 2016 | Publication | ChemElectroChem | Abbreviated Journal | Chemelectrochem |
Volume | 3 | Issue | 3 | Pages | 1667-1677 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Hydrogen peroxide has been detected as a reaction intermediate in the electrochemical oxygen reduction reaction (ORR) on transition-metal oxides and other electrode materials. In this work, we studied the electrocatalytic and catalytic reactions of hydrogen peroxide on a set of Mn oxides, Mn2O3, MnOOH, LaMnO3, MnO2, and Mn3O4, that adopt different crystal structures to shed light on the mechanism of the ORR on these materials. We then combined experiment with kinetic modeling with the objective to correlate the differences in the ORR activity to the kinetics of the elementary reaction steps, and we uncovered the importance of structural and compositional factors in the catalytic activity of the Mn oxides. We concluded that the exceptional activity of Mn2O3 in the ORR is due to its high catalytic activity both in the reduction of oxygen to hydrogen peroxide and in the decomposition of the latter, and furthermore, we proposed a tentative link between crystal structure and reactivity. | ||||
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Publisher | Wiley | Place of Publication | Place of publication unknown | Editor | |
Language | Wos | 000388377200019 | Publication Date | 2016-07-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2196-0216 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.136 | Times cited | 20 | Open Access | |
Notes | Approved | Most recent IF: 4.136 | |||
Call Number | UA @ lucian @ c:irua:139202 | Serial | 4449 | ||
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Author | Yagmurcukardes, M.; Peeters, F.M.; Senger, R.T.; Sahin, H. | ||||
Title | Nanoribbons: From fundamentals to state-of-the-art applications | Type | A1 Journal article | ||
Year | 2016 | Publication | Applied physics reviews | Abbreviated Journal | Appl Phys Rev |
Volume | 3 | Issue | 3 | Pages | 041302 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Atomically thin nanoribbons (NRs) have been at the forefront of materials science and nanoelectronics in recent years. State-of-the-art research on nanoscale materials has revealed that electronic, magnetic, phononic, and optical properties may differ dramatically when their one-dimensional forms are synthesized. The present article aims to review the recent advances in synthesis techniques and theoretical studies on NRs. The structure of the review is organized as follows: After a brief introduction to low dimensional materials, we review different experimental techniques for the synthesis of graphene nanoribbons (GNRs) with their advantages and disadvantages. In addition, theoretical investigations on width and edge-shape-dependent electronic and magnetic properties, functionalization effects, and quantum transport properties of GNRs are reviewed. We then devote time to the NRs of the transition metal dichalcogenides (TMDs) family. First, various synthesis techniques, E-field-tunable electronic and magnetic properties, and edge-dependent thermoelectric performance of NRs of MoS2 and WS2 are discussed. Then, strongly anisotropic properties, growth-dependent morphology, and the weakly width-dependent bandgap of ReS2 NRs are summarized. Next we discuss TMDs having a T-phase morphology such as TiSe2 and stable single layer NRs of mono-chalcogenides. Strong edge-type dependence on characteristics of GaS NRs, width-dependent Seebeck coefficient of SnSe NRs, and experimental analysis on the stability of ZnSe NRs are reviewed. We then focus on the most recently emerging NRs belonging to the class of transition metal trichalcogenides which provide ultra-high electron mobility and highly anisotropic quasi-1D properties. In addition, width-, edge-shape-, and functionalization-dependent electronic and mechanical properties of blackphosphorus, a monoatomic anisotropic material, and studies on NRs of group IV elements (silicene, germanene, and stanene) are reviewed. Observation of substrate-independent quantum well states, edge and width dependent properties, the topological phase of silicene NRs are reviewed. In addition, H-2 concentration-dependent transport properties and anisotropic dielectric function of GeNRs and electric field and strain sensitive I-V characteristics of SnNRs are reviewed. We review both experimental and theoretical studies on the NRs of group III-V compounds. While defect and N-termination dependent conductance are highlighted for boron nitride NRs, aluminum nitride NRs are of importance due to their dangling bond, electric field, and strain dependent electronic and magnetic properties. Finally, superlattice structure of NRs of GaN/AlN, Si/Ge, G/BN, and MoS2/WS2 is reviewed. Published by AIP Publishing. | ||||
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Publisher | Amer inst physics | Place of Publication | Melville | Editor | |
Language | Wos | 000390443800013 | Publication Date | 2016-11-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1931-9401 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 13.667 | Times cited | 63 | Open Access | |
Notes | ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges the support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. R.T.S. acknowledges the support from TUBITAK through Project No. 114F397. F.M.P. was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; | Approved | Most recent IF: 13.667 | ||
Call Number | UA @ lucian @ c:irua:140299 | Serial | 4457 | ||
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Author | Béché, A.; Rouvière, J.L.; Barnes, J.P.; Cooper, D. | ||||
Title | Dark field electron holography for strain measurement | Type | A1 Journal article | ||
Year | 2011 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
Volume | 111 | Issue | 3 | Pages | 227-238 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Dark field electron holography is a new TEM-based technique for measuring strain with nanometer scale resolution. Here we present the procedure to align a transmission electron microscope and obtain dark field holograms as well as the theoretical background necessary to reconstruct strain maps from holograms. A series of experimental parameters such as biprism voltage, sample thickness, exposure time, tilt angle and choice of diffracted beam are then investigated on a silicon-germanium layer epitaxially embedded in a silicon matrix in order to obtain optimal dark field holograms over a large field of view with good spatial resolution and strain sensitivity. | ||||
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Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000288638200007 | Publication Date | 2010-12-01 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.843 | Times cited | 31 | Open Access | |
Notes | Approved | Most recent IF: 2.843; 2011 IF: 2.471 | |||
Call Number | UA @ lucian @ c:irua:136368 | Serial | 4496 | ||
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Author | Celebi, S.; Sezgin, M.E.; Çakir, D.; Baytan, B.; Demirkaya, M.; Sevinir, B.; Bozdemir, S.E.; Gunes, A.M.; Hacimustafaoglu, M. | ||||
Title | Catheter-associated bloodstream infections in pediatric hematology-oncology patients | Type | A1 Journal article | ||
Year | 2013 | Publication | Pediatric Hematology And Oncology | Abbreviated Journal | Pediatr Hemat Oncol |
Volume | 30 | Issue | 3 | Pages | 187-194 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Catheter-associated bloodstream infections (CABSIs) are common complications encountered with cancer treatment. The aims of this study were to analyze the factors associated with recurrent infection and catheter removal in pediatric hematology-oncology patients. All cases of CABSIs in patients attending the Department of Pediatric Hematology-Oncology between January 2008 and December 2010 were reviewed. A total of 44 episodes of CABSIs, including multiple episodes involving the same catheter, were identified in 31 children with cancer. The overall CABSIs rate was 7.4 infections per 1000 central venous catheter (CVC) days. The most frequent organism isolated was coagulase-negative Staphylococcus (CONS). The CVC was removed in nine (20.4%) episodes. We found that hypotension, persistent bacteremia, Candida infection, exit-side infection, neutropenia, and prolonged duration of neutropenia were the factors for catheter removal. There were 23 (52.2%) episodes of recurrence or reinfection. Mortality rate was found to be 9.6% in children with CABSIs. In this study, we found that CABSIs rate was 7.4 infections per 1000 catheter-days. CABSIs rates in our hematology-oncology patients are comparable to prior reports. Because CONS is the most common isolated microorganism in CABSIs, vancomycin can be considered part of the initial empirical regimen. | ||||
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Publisher | Place of Publication | New York | Editor | ||
Language | Wos | Publication Date | 2013-04-25 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0888-0018 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.12 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 1.12; 2013 IF: 0.963 | |||
Call Number | UA @ lucian @ c:irua:128324 | Serial | 4589 | ||
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Author | Tran, T.L.A.; Çakir, D.; Wong, P.K.J.; Preobrajenski, A.B.; Brocks, G.; van der Wiel, W.G.; de Jong, M.P. | ||||
Title | Magnetic properties of bcc-Fe(001)/C-60 interfaces for organic spintronics | Type | A1 Journal article | ||
Year | 2013 | Publication | Acs Applied Materials & Interfaces | Abbreviated Journal | Acs Appl Mater Inter |
Volume | 5 | Issue | 3 | Pages | 837-841 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The magnetic structure of the interfaces between organic semiconductors and ferromagnetic contacts plays a key role in the spin injection and extraction processes in organic spintronic devices. We present a combined computational (density functional theory) and experimental (X-ray magnetic circular dichroism) study on the magnetic properties of interfaces between bcc-Fe(001) and C-60 molecules. C-60 is an interesting candidate for application in organic spintronics due to the absence of hydrogen atoms and the associated hyperfine fields. Adsorption of C-60 on Fe(001) reduces the magnetic moments on the top Fe layers by similar to 6%, while inducing an antiparrallel magnetic moment of similar to-0.2 mu(B) on C-60. Adsorption of C-60 on a model ferromagnetic substrate consisting of three Fe monolayers on W(001) leads to a different structure but to very similar interface magnetic properties. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000315079700050 | Publication Date | 2013-01-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.504 | Times cited | 28 | Open Access | |
Notes | ; The authors acknowledge support from the European project MINOTOR (Grant No. FP7-NMP-228424), the European Research Council (ERC Starting Grant No. 280020), and the NWO VIDI program (Grant No. 10246). The use of supercomputer facilities was sponsored by the “Stichting Nationale Computerfaciliteiten (NCF)”, financially supported by the “Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)”. ; | Approved | Most recent IF: 7.504; 2013 IF: 5.900 | ||
Call Number | UA @ lucian @ c:irua:128326 | Serial | 4599 | ||
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Author | Debroye, E.; Yuan, H.; Bladt, E.; Baekelant, W.; Van der Auweraer, M.; Hofkens, J.; Bals, S.; Roeffaers, M.B.J. | ||||
Title | Facile morphology-controlled synthesis of organolead iodide perovskite nanocrystals using binary capping agents | Type | A1 Journal article | ||
Year | 2017 | Publication | ChemNanoMat : chemistry of nanomaterials for energy, biology and more | Abbreviated Journal | Chemnanomat |
Volume | 3 | Issue | 3 | Pages | 223-227 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Controlling the morphology of organolead halide perovskite crystals is crucial to a fundamental understanding of the materials and to tune their properties for device applications. Here, we report a facile solution-based method for morphology-controlled synthesis of rod-like and plate-like organolead halide perovskite nanocrystals using binary capping agents. The morphology control is likely due to an interplay between surface binding kinetics of the two capping agents at different crystal facets. By high-resolution scanning transmission electron microscopy, we show that the obtained nanocrystals are monocrystalline. Moreover, long photoluminescence decay times of the nanocrystals indicate long charge diffusion lengths and low trap/defect densities. Our results pave the way for large-scale solution synthesis of organolead halide perovskite nanocrystals with controlled morphology for future device applications. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000399604300003 | Publication Date | 2017-01-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2199-692x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.937 | Times cited | 19 | Open Access | OpenAccess |
Notes | ; We acknowledge financial support from the Research Foundation-Flanders (FWO, grant G.0197.11, G.0962.13, G0B39.15, postdoctoral fellowship to E. D. and H. Y.), KU Leuven Research Fund (C14/15/053), the Flemish government through long term structural funding Methusalem (CASAS2, Meth/15/04), the Hercules foundation (HER/11/14), the Belgian Federal Science Policy Office (IAP-PH05), the EC through the Marie Curie ITN project iSwitch (GA-642196) and the ERC project LIGHT (GA307523). S. B. acknowledges financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS). E. B. gratefully acknowledges financial support by the Flemish Fund for Scientific Research (FWO Vlaanderen). ; ecas_Sara | Approved | Most recent IF: 2.937 | ||
Call Number | UA @ lucian @ c:irua:143678UA @ admin @ c:irua:143678 | Serial | 4656 | ||
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Author | Zhang, B.; Deschamps, M.; Ammar, M.-R.; Raymundo-Pinero, E.; Hennet, L.; Batuk, D.; Tarascon, J.-M. | ||||
Title | Laser synthesis of hard carbon for anodes in Na-ion battery | Type | A1 Journal article | ||
Year | 2017 | Publication | Advanced Materials Technologies | Abbreviated Journal | |
Volume | 2 | Issue | 3 | Pages | 1600227 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000398999900003 | Publication Date | 2016-12-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2365-709x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 10 | Open Access | Not_Open_Access | |
Notes | ; The RS2E (Reseau sur le StockageElectrochimique de l'Energie) network is acknowledged for the financial support of this work through the ANR project Storex (ANR-10-LABX-76-01). J.-M.T acknowledges funding from the European Research Council (ERC) (FP/2014-2020)/ERC GrantProject 670116-ARPEMA. ; | Approved | Most recent IF: NA | ||
Call Number | UA @ lucian @ c:irua:142452 | Serial | 4666 | ||
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Author | Berthold, T.; Castro, C.R.; Winter, M.; Hoerpel, G.; Kurttepeli, M.; Bals, S.; Antonietti, M.; Fechler, N. | ||||
Title | Tunable nitrogen-doped carbon nanoparticles from tannic acid and urea and their potential for sustainable soots | Type | A1 Journal article | ||
Year | 2017 | Publication | ChemNanoMat : chemistry of nanomaterials for energy, biology and more | Abbreviated Journal | Chemnanomat |
Volume | 3 | Issue | 3 | Pages | 311-318 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Nano-sized nitrogen-doped carbon spheres are synthesized from two cheap, readily available and sustainable precursors: tannic acid and urea. In combination with a polymer structuring agent, nitrogen content, sphere size and the surface (up to 400 m(2)g(-1)) can be conveniently tuned by the precursor ratio, temperature and structuring agent content. Because the chosen precursors allow simple oven synthesis and avoid harsh conditions, this carbon nanosphere platform offers a more sustainable alternative to classical soots, for example, as printing pigments or conduction soots. The carbon spheres are demonstrated to be a promising as conductive carbon additive in anode materials for lithium ion batteries. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000403299200006 | Publication Date | 2017-03-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2199-692x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.937 | Times cited | 14 | Open Access | OpenAccess |
Notes | ; S.B. is grateful for funding by the European Research Council (ERC starting grant # 335078-COLOURATOMS). ; ecas_Sara | Approved | Most recent IF: 2.937 | ||
Call Number | UA @ lucian @ c:irua:144287UA @ admin @ c:irua:144287 | Serial | 4699 | ||
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Author | Van der Donck, M.; Zarenia, M.; Peeters, F.M. | ||||
Title | Excitons and trions in monolayer transition metal dichalcogenides : a comparative study between the multiband model and the quadratic single-band model | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 96 | Issue | 3 | Pages | 035131 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The electronic and structural properties of excitons and trions in monolayer transition metal dichalcogenides are investigated using both a multiband and a single- band model. In the multiband model we construct the excitonic Hamiltonian in the product base of the single-particle states at the conduction and valence band edges. We decouple the corresponding energy eigenvalue equation and solve the resulting differential equation self-consistently, using the finite element method (FEM), to determine the energy eigenvalues and the wave functions. As a comparison, we also consider the simple single-band model which is often used in numerical studies. We solve the energy eigenvalue equation using the FEM as well as with the stochastic variational method (SVM) in which a variational wave function is expanded in a basis of a large number of correlated Gaussians. We find good agreement between the results of both methods, as well as with other theoretical works for excitons, and we also compare with available experimental data. For trions the agreement between both methods is not as good due to our neglect of angular correlations when using the FEM. Finally, when comparing the two models, we see that the presence of the valence bands in the mutiband model leads to differences with the single- band model when (interband) interactions are strong. | ||||
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Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
Language | Wos | 000405706600005 | Publication Date | 2017-07-18 | |
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 | 3.836 | Times cited | 50 | Open Access | |
Notes | ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ lucian @ c:irua:145209 | Serial | 4716 | ||
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Author | Sevik, C.; Wallbank, J.R.; Gulseren, O.; Peeters, F.M.; Çakir, D. | ||||
Title | Gate induced monolayer behavior in twisted bilayer black phosphorus | Type | A1 Journal article | ||
Year | 2017 | Publication | 2D materials | Abbreviated Journal | 2D Mater |
Volume | 4 | Issue | 3 | Pages | 035025 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic properties of bilayer black phosphorus with an interlayer twist angle of 90 degrees. These calculations are complemented with a simple (k) over right arrow . (p) over right arrow model which is able to capture most of the low energy features and is valid for arbitrary twist angles. The electronic spectrum of 90 degrees twisted bilayer black phosphorus is found to be x-y isotropic in contrast to the monolayer. However x-y anisotropy, and a partial return to monolayer-like behavior, particularly in the valence band, can be induced by an external out-of-plane electric field. Moreover, the preferred hole effective mass can be rotated by 90 degrees simply by changing the direction of the applied electric field. In particular, a +0.4 (-0.4) V angstrom(1) out-of-plane electric field results in a similar to 60% increase in the hole effective mass along the y (x) axis and enhances the m(y)*/m(x)* (m(x)*/m(y)*) ratio as much as by a factor of 40. Our DFT and (k) over right arrow . (p) over right arrow simulations clearly indicate that the twist angle in combination with an appropriate gate voltage is a novel way to tune the electronic and optical properties of bilayer phosphorus and it gives us a new degree of freedom to engineer the properties of black phosphorus based devices. | ||||
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Publisher | IOP Publishing | Place of Publication | Bristol | Editor | |
Language | Wos | 000406926600001 | Publication Date | 2017-08-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
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 | 13 | Open Access | |
Notes | ; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024), ERC Synergy grant Hetero2D and the EU Graphene Flagship Project. We also thank Vladimir Fal'ko for helpful discussions. ; | Approved | Most recent IF: 6.937 | ||
Call Number | UA @ lucian @ c:irua:145151 | Serial | 4717 | ||
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Author | Kong, X.; Li, L.; Leenaerts, O.; Liu, X.-J.; Peeters, F.M. | ||||
Title | New group-V elemental bilayers : a tunable structure model with four-, six-, and eight-atom rings | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 96 | Issue | 3 | Pages | 035123 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Two-dimensional group-V elemental materials have attracted widespread attention due to their nonzero band gap while displaying high electron mobility. Using first-principles calculations, we propose a series of new elemental bilayers with group-V elements (Bi, Sb, As). Our study reveals the dynamical stability of four-, six-, and eight-atom ring structures, demonstrating their possible coexistence in such bilayer systems. The proposed structures for Sb and As are large-gap semiconductors that are potentially interesting for applications in future nanodevices. The Bi structures have nontrivial topological properties with a direct nontrivial band gap. The nontrivial gap is shown to arise from a band inversion at the Brillouin zone center due to the strong intrinsic spin-orbit coupling in Bi atoms. Moreover, we demonstrate the possibility of tuning the properties of these materials by enhancing the ratio of six-atom rings to four-and eight-atom rings, which results in wider nontrivial band gaps and lower formation energies. | ||||
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Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
Language | Wos | 000405363900005 | Publication Date | 2017-07-14 | |
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 | 3.836 | Times cited | 14 | Open Access | |
Notes | ; This work is supported by Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), National Natural Science Foundation of China (NSFC) ( No. 11574008), the Thousand-Young-Talent Program of China, and the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ lucian @ c:irua:144834 | Serial | 4721 | ||
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Author | Zebrowski, D.P.; Peeters, F.M.; Szafran, B. | ||||
Title | Double quantum dots defined in bilayer graphene | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 96 | Issue | 3 | Pages | 035434 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Artificial molecular states of double quantum dots defined in bilayer graphene are studied with the atomistic tight-binding method and its low-energy continuum approximation. We indicate that the extended electron wave functions have opposite parities on sublattices of the layers and that the ground-state wave-function components change from bonding to antibonding with the interdot distance. In the weak-coupling limit, the one most relevant for quantum dots defined electrostatically, the signatures of the interdot coupling include, for the two-electron ground state, formation of states with symmetric or antisymmetric spatial wave functions split by the exchange energy. In the high-energy part of the spectrum the states with both electrons in the same dot are found with the splitting of energy levels corresponding to simultaneous tunneling of the electron pair from one dot to the other. | ||||
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Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
Language | Wos | 000406284200005 | Publication Date | 2017-07-26 | |
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 | 3.836 | Times cited | 6 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ lucian @ c:irua:145758 | Serial | 4739 | ||
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Author | Vishwakarma, M.; Karakulina, O.M.; Abakumov, A.M.; Hadermann, J.; Mehta, B.R. | ||||
Title | Nanoscale Characterization of Growth of Secondary Phases in Off-Stoichiometric CZTS Thin Films | Type | A1 Journal article | ||
Year | 2018 | Publication | Journal of nanoscience and nanotechnology | Abbreviated Journal | J Nanosci Nanotechno |
Volume | 18 | Issue | 3 | Pages | 1688-1695 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The presence of secondary phases is one of the main issues that hinder the growth of pure kesterite Cu2ZnSnS4 (CZTS) based thin films with suitable electronic and junction properties for efficient solar cell devices. In this work, CZTS thin films with varied Zn and Sn content have been prepared by RF-power controlled co-sputtering deposition using Cu, ZnS and SnS targets and a subsequent sulphurization step. Detailed TEM investigations show that the film shows a layered structure with the majority of the top layer being the kesterite phase. Depending on the initial thin film composition, either about ~1 μm Cu-rich and Zn-poor kesterite or stoichiometric CZTS is formed as top layer. X-ray diffraction, Raman spectroscopy and transmission electron microscopy reveal the presence of Cu2−x S, ZnS and SnO2 minor secondary phases in the form of nanoinclusions or nanoparticles or intermediate layers. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000426033400022 | Publication Date | 2018-03-01 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1533-4880 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.483 | Times cited | Open Access | Not_Open_Access | |
Notes | Manoj Vishwakarma acknowl- edges IIT Delhi for MHRD fellowship. Professor B. R. Mehta acknowledges the support of the Schlumberger chair professorship. Manoj Vishwakarma, Joke Hadermann and Olesia M. karakulina acknowledge support provided by InsoL-DST. Manoj Vishwakarma acknowledges sup- port provided by CSIR funded projects and the support of DST-FIST Raman facility. References | Approved | Most recent IF: 1.483 | ||
Call Number | EMAT @ emat @c:irua:147505 | Serial | 4775 | ||
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Author | Lu, A.K.A.; Houssa, M.; Luisier, M.; Pourtois, G. | ||||
Title | Impact of layer alignment on the behavior of MoS2-ZrS2 tunnel field-effect transistors : an ab initio study | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical review applied | Abbreviated Journal | Phys Rev Appl |
Volume | 8 | Issue | 3 | Pages | 034017 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Tunnel field-effect transistors based on van der Waals heterostructures are emerging device concepts for low-power applications, auguring sub-60 mV/dec subthreshold swing values. In these devices, the channel is built from a stack of several different two-dimensional materials whose nature allows tailoring the band alignments and enables a good electrostatic control of the device. In this work, we propose a theoretical study of the variability of the performances of a MoS2-ZrS2 tunnel field-effect transistor induced by fluctuations of the relative position or the orientation of the layers. Our results indicate that although a steep subthreshold slope (20 mV/dec) is achievable, fluctuations in the relative orientation of the ZrS2 layer with respect to the MoS2 one lead to a significant variability in the tunneling current by about one decade. This arises from changes in the orbital overlap between the layers and from the modulation of the transport direction. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Physical Society | Place of Publication | College Park, Md | Editor | |
Language | Wos | 000411460400001 | Publication Date | 2017-09-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2331-7019 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.808 | Times cited | 6 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 4.808 | |||
Call Number | UA @ lucian @ c:irua:146741 | Serial | 4785 | ||
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Author | Jakovljevic, D.Z.; Grujic, M.M.; Tadic, M.Z.; Peeters, F.M. | ||||
Title | Helical edge states in silicene and germanene nanorings in perpendicular magnetic field | Type | A1 Journal article | ||
Year | 2018 | Publication | Journal of physics : condensed matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 30 | Issue | 3 | Pages | 035301 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | <script type='text/javascript'>document.write(unpmarked('Due to nonzero intrinsic spin-orbit interaction in buckled honeycomb crystal structures, silicene and germanene exhibit interesting topological properties, and are therefore candidates for the realization of the quantum spin Hall effect. We employ the Kane-Mele model to investigate the electron states in hexagonal silicene and germanene nanorings having either zigzag or armchair edges in the presence of a perpendicular magnetic field. We present results for the energy spectra as function of magnetic field, the electron density of the spin-up and spin-down states in the ring plane, and the calculation of the probability current density. The quantum spin Hall phase is found at the edges between the nontrivial topological phase in silicene and germanene and vacuum. We demonstrate that the helical edge states in zigzag silicene and germanene nanorings can be qualitatively well understood by means of classical magnetic moments. However, this is not the case for comparable-sized armchair nanorings, where the eigenfunctions spread throughout the ring. Finally, we note that the energy spectra of silicene and germanene nanorings are similar and that the differences between the two are mainly related to the difference in magnitude of the spin-orbit coupling.')); | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000418354400001 | Publication Date | 2017-11-30 | |
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 | 2.649 | Times cited | 4 | Open Access | |
Notes | ; This work was supported by Erasmus+ and the Serbian Ministry of Education, Science and Technological Development (Project No. III45003). ; | Approved | Most recent IF: 2.649 | ||
Call Number | UA @ lucian @ c:irua:148426UA @ admin @ c:irua:148426 | Serial | 4878 | ||
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Author | Vanherck, J.; Schulenborg, J.; Saptsov, R.B.; Splettstoesser, J.; Wegewijs, M.R. | ||||
Title | Relaxation of quantum dots in a magnetic field at finite bias -Charge, spin, and heat currents | Type | A1 Journal article | ||
Year | 2017 | Publication | Physica status solidi: B: basic research | Abbreviated Journal | Phys Status Solidi B |
Volume | 254 | Issue | 3 | Pages | Unsp 1600614 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | <script type='text/javascript'>document.write(unpmarked('We perform a detailed study of the effect of finite bias and magnetic field on the tunneling-induced decay of the state of a quantum dot by applying a recently discovered general duality [Phys. Rev. B 93, 81411 (2016)]. This duality provides deep physical insight into the decay dynamics of electronic open quantum systems with strong Coulomb interaction. It associates the amplitudes of decay eigenmodes of the actual system to the eigenmodes of a so-called dual system with attractive interaction. Thereby, it predicts many surprising features in the transient transport and its dependence on experimental control parameters: the attractive interaction of the dual model shows up as sharp features in the amplitudes of measurable time-dependent currents through the actual repulsive system. In particular, for interacting quantum dots, the time-dependent heat current exhibits a decay mode that dissipates the interaction energy and that is tied to the fermion parity of the system. We show that its decay amplitude has an unexpected gate-voltage dependence that is robust up to sizable bias voltages and then bifurcates, reflecting that the Coulomb blockade is lifted in the dual system. Furthermore, combining our duality relation with the known Iche-duality, we derive new symmetry properties of the decay rates as a function of magnetic field and gate voltage. Finally, we quantify charge- and spin-mode mixing due to the magnetic field using a single mixing parameter.')); | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | 000395441500011 | Publication Date | 2017-01-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0370-1972 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.674 | Times cited | 4 | Open Access | |
Notes | ; We acknowledge the financial support of Erasmus Mundus (J. V.), DFG project SCHO 641/7-1 (R.B.S. and M.R.W), the Swedish VR (J.Sc., J.Sp.), and the Knut and Alice Wallenberg Foundation (J. Sp.). The authors thank F. Haupt and N. Dittmann for useful discussions on the topic. ; | Approved | Most recent IF: 1.674 | ||
Call Number | UA @ lucian @ c:irua:142510 | Serial | 4894 | ||
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Author | Mehta, A.N.; Zhang, H.; Dabral, A.; Richard, O.; Favia, P.; Bender, H.; Delabie, A.; Caymax, M.; Houssa, M.; Pourtois, G.; Vandervorst, W. | ||||
Title | Structural characterization of SnS crystals formed by chemical vapour deposition | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of microscopy T2 – 20th International Conference on Microscopy of Semiconducting Materials, (MSM), APR 09-13, 2017, Univ Oxford, Univ Oxford, Oxford, ENGLAND | Abbreviated Journal | J Microsc-Oxford |
Volume | 268 | Issue | 3 | Pages | 276-287 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | <script type='text/javascript'>document.write(unpmarked('The crystal and defect structure of SnS crystals grown using chemical vapour deposition for application in electronic devices are investigated. The structural analysis shows the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nanometer scale thickness, and much thicker but smaller crystallites. Both show similar Raman response associated with SnS. The structural analysis with transmission electron microscopy shows that the flakes are single crystals of -SnS with [010] normal to the substrate. Parallel with the surface of the flakes, lamellae with varying thickness of a new SnS phase are observed. High-resolution transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM), first-principles simulations (DFT) and nanobeam diffraction (NBD) techniques are employed to characterise this phase in detail. DFT results suggest that the phase is a strain stabilised \u0027 one grown epitaxially on the -SnS crystals. TEM analysis shows that the crystallites are also -SnS with generally the [010] direction orthogonal to the substrate. Contrary to the flakes the crystallites consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. Under high-dose electron irradiation, the SnS structure is reduced and -Sn formed. It is shown that this damage only occurs for SnS in direct contact with SiO2. Lay description SnS is a p-type semiconductor, which has attracted significant interest for electronic devices due to its unique properties, low-toxicity and abundance of Sn in nature. Although in the past it has been most extensively studied as the absorber material in solar cells, it has recently garnered interest for application as a p-type two-dimensional semiconductor in nanoelectronic devices due to its anisotropic layered structure similar to the better known phosphorene. Tin sulphide can take the form of several phases and the electronic properties of the material depend strongly on its crystal structure. It is therefore crucial to study the crystal structure of the material in order to predict the electronic properties and gain insight into the growth mechanism. In this work, SnS crystals deposited using a chemical vapour deposition technique are investigated extensively for their crystal and defect structure using transmission electron microscopy (TEM) and related techniques. We find the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nm scale thickness, and much thicker but smaller crystallites. The flakes are single crystals of -SnS and contain lamellae with varying thickness of a different phase which appear to be -SnS at first glance. High-resolution scanning transmission electron microscopy is used to characterise these lamellae where the annular bright field (ABF) mode better reveals the position of the sulphur columns. The sulphur columns in the lamellae are found to be shifted relative to the -SnS structure which indicates the formation of a new phase which is a distorted version of the phase which we tentatively refer to as \u0027-SnS. Simulations based on density functional theory (DFT) are used to model the interface and a similar shift of sulphur columns in the -SnS layer is observed which takes place as a result of strong interaction at the interface between the two phases resulting in strain transfer. Nanobeam electron diffraction (NBD) is used to map the lattice mismatch in the thickness of the flakes which reveals good in-plane matching and some expansion out-of-plane in the lamellae. Contrary to the flakes the crystallites are made solely of -SnS and consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. At high electron doses, SnS is reduced to -Sn, however the damage occurs only for SnS in direct contact with SiO2.')); | ||||
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Corporate Author | Thesis | ||||
Publisher | Wiley | Place of Publication | Hoboken | Editor | |
Language | Wos | 000415900300009 | Publication Date | 2017-09-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-2720 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.692 | Times cited | 2 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 1.692 | |||
Call Number | UA @ lucian @ c:irua:147692 | Serial | 4898 | ||
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Author | De Clercq, M.; Moors, K.; Sankaran, K.; Pourtois, G.; Dutta, S.; Adelmann, C.; Magnus, W.; Sorée, B. | ||||
Title | Resistivity scaling model for metals with conduction band anisotropy | Type | A1 Journal article | ||
Year | 2018 | Publication | Physical review materials | Abbreviated Journal | |
Volume | 2 | Issue | 3 | Pages | 033801 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the impact of crystal orientation on resistivity scaling. The crystal orientation cannot be captured by the commonly used resistivity scaling models and a qualitative understanding of its impact is currently lacking. In this work, we derive a resistivity scaling model that captures grain boundary and boundary surface scattering as well as the anisotropy of the band structure. The model is applied to Cu and Ru thin films, whose conduction bands are (quasi-) isotropic and anisotropic, respectively. After calibrating the anisotropy with ab initio simulations, the resistivity scaling models are compared to experimental resistivity data and a renormalization of the fitted grain boundary reflection coefficient can be identified for textured Ru. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Physical Society | Place of Publication | College Park, Md | Editor | |
Language | Wos | 000426787600001 | Publication Date | 2018-03-07 | |
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 | Times cited | Open Access | |||
Notes | ; The authors acknowledge the support by the Fonds National de la Recherche Luxembourg (ATTRACT Grant No. 7556175). ; | Approved | Most recent IF: NA | ||
Call Number | UA @ lucian @ c:irua:149866UA @ admin @ c:irua:149866 | Serial | 4947 | ||
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Author | Zhang, Q.-Z.; Bogaerts, A. | ||||
Title | Propagation of a plasma streamer in catalyst pores | Type | A1 Journal article | ||
Year | 2018 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 27 | Issue | 3 | Pages | 035009 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Although plasma catalysis is gaining increasing interest for various environmental applications, the underlying mechanisms are still far from understood. For instance, it is not yet clear whether and how plasma streamers can propagate in catalyst pores, and what is the minimum pore size to make this happen. As this is crucial information to ensure good plasma-catalyst interaction, we study here the mechanism of plasma streamer propagation in a catalyst pore, by means of a twodimensional particle-in-cell/Monte Carlo collision model, for various pore diameters in the nm range to μm-range. The so-called Debye length is an important criterion for plasma penetration into catalyst pores, i.e. a plasma streamer can penetrate into pores when their diameter is larger than the Debye length. The Debye length is typically in the order of a few 100 nm up to 1 μm at the conditions under study, depending on electron density and temperature in the plasma streamer. For pores in the range of ∼50 nm, plasma can thus only penetrate to some extent and at very short times, i.e. at the beginning of a micro-discharge, before the actual plasma streamer reaches the catalyst surface and a sheath is formed in front of the surface. We can make plasma streamers penetrate into smaller pores (down to ca. 500 nm at the conditions under study) by increasing the applied voltage, which yields a higher plasma density, and thus reduces the Debye length. Our simulations also reveal that the plasma streamers induce surface charging of the catalyst pore sidewalls, causing discharge enhancement inside the pore, depending on pore diameter and depth. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000427976800001 | Publication Date | 2018-03-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 16 | Open Access | OpenAccess |
Notes | We acknowledge financial support from the European Marie Skłodowska-Curie Individual Fellowship within H2020 (Grant Agreement 702604) and from the Fund for Scientific Research Flanders (FWO) (Excellence of Science Program; EOS ID 30505023). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @c:irua:150877 | Serial | 4954 | ||
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Author | Wang, Z.; Zhang, Y.; Neyts, E.C.; Cao, X.; Zhang, X.; Jang, B.W.-L.; Liu, C.-jun | ||||
Title | Catalyst preparation with plasmas : how does it work? | Type | A1 Journal article | ||
Year | 2018 | Publication | ACS catalysis | Abbreviated Journal | Acs Catal |
Volume | 8 | Issue | 3 | Pages | 2093-2110 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Catalyst preparation with plasmas is increasingly attracting interest. A plasma is a partially ionized gas, consisting of electrons, ions, molecules, radicals, photons, and excited species, which are all active species for catalyst preparation and treatment. Under the influence of plasma, nucleation and crystal growth in catalyst preparation can be very different from those in the conventional thermal approach. Some thermodynamically unfavorable reactions can easily take place with plasmas. Compounds such as sulfides, nitrides, and phosphides that are produced under harsh conditions can be synthesized by plasma under mild conditions. Plasmas can produce catalysts with smaller particle sizes and controllable structure. Plasma is also a facile tool for reduction, oxidation, doping, etching, coating, alloy formation, surface treatment, and surface cleaning in a simple and direct way. A rapid and convenient plasma template removal has thus been established for zeolite synthesis. It can operate at room temperature and allows the catalyst preparation on temperature-sensitive supporting materials. Plasma is typically effective for the production of various catalysts on metallic substrates. In addition, plasma-prepared transition-metal catalysts show enhanced low-temperature activity with improved stability. This provides a useful model catalyst for further improvement of industrial catalysts. In this review, we aim to summarize the recent advances in catalyst preparation with plasmas. The present understanding of plasma-based catalyst preparation is discussed. The challenges and future development are addressed. | ||||
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Corporate Author | Thesis | ||||
Publisher | Amer chemical soc | Place of Publication | Washington | Editor | |
Language | Wos | 000426804100055 | Publication Date | 2018-01-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2155-5435 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 10.614 | Times cited | 81 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 10.614 | |||
Call Number | UA @ lucian @ c:irua:150880 | Serial | 4963 | ||
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Author | Andelkovic, M.; Covaci, L.; Peeters, F.M. | ||||
Title | DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder | Type | A1 Journal article | ||
Year | 2018 | Publication | Physical review materials | Abbreviated Journal | |
Volume | 2 | Issue | 3 | Pages | 034004 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Physical Society | Place of Publication | College Park, Md | Editor | |
Language | Wos | 000427822700002 | Publication Date | 2018-03-20 | |
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 | Times cited | 27 | Open Access | ||
Notes | ; We acknowledge financial support from the graphene FLAG-ERA project TRANS2DTMD. ; | Approved | Most recent IF: NA | ||
Call Number | UA @ lucian @ c:irua:150838UA @ admin @ c:irua:150838 | Serial | 4964 | ||
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Author | Zhang, H.; Gauquelin, N.; McMahon, C.; Hawthorn, D.G.; Botton, G.A.; Wei, J.Y.T. | ||||
Title | Synthesis of high-oxidation Y-Ba-Cu-O phases in superoxygenated thin films | Type | A1 Journal article | ||
Year | 2018 | Publication | Physical review materials | Abbreviated Journal | |
Volume | 2 | Issue | 3 | Pages | 033803 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | It is known that solid-state reaction in high-pressure oxygen can stabilize high-oxidation phases of Y-Ba-Cu-O superconductors in powder form. We extend this superoxygenation concept of synthesis to thin films which, due to their large surface-to-volume ratio, are more reactive thermodynamically. Epitaxial thin films of YBa2Cu3O7-delta grown by pulsed laser deposition are annealed at up to 700 atm O-2 and 900 degrees C, in conjunction with Cu enrichment by solid-state diffusion. The films show the clear formation of Y2Ba4Cu7O15-delta and Y2Ba4Cu8O16 as well as regions of YBa2Cu5O9-delta and YBa2Cu6O10-delta phases, according to scanning transmission electron microscopy, x-ray diffraction, and x-ray absorption spectroscopy. Similarly annealed YBa2Cu3O7-delta powders show no phase conversion. Our results demonstrate a route of synthesis towards discovering more complex phases of cuprates and other superconducting oxides. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Physical Society | Place of Publication | College Park, Md | Editor | |
Language | Wos | 000428244900004 | Publication Date | 2018-03-26 | |
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 | Times cited | 2 | Open Access | Not_Open_Access | |
Notes | ; This work is supported by NSERC, CFI-OIT, and CIFAR. The electron microscopy work was carried out at the Canadian Centre for Electron Microscopy, a National Facility supported by the Canada Foundation for Innovation under the Major Science Initiative program, McMaster University, and NSERC. The XAS work was performed at the Canadian Light Source, which is supported by NSERC, NRC, CIHR, and the University of Saskatchewan. ; | Approved | Most recent IF: NA | ||
Call Number | UA @ lucian @ c:irua:150829 | Serial | 4982 | ||
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Author | Vanraes, P.; Bogaerts, A. | ||||
Title | Plasma physics of liquids—A focused review | Type | A1 Journal article | ||
Year | 2018 | Publication | Applied physics reviews | Abbreviated Journal | Appl Phys Rev |
Volume | 5 | Issue | 3 | Pages | 031103 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The interaction of plasma with liquids has led to various established industrial implementations as well as promising applications, including high-voltage switching, chemical analysis, nanomaterial synthesis, and plasma medicine. Along with these numerous accomplishments, the physics of plasma in liquid or in contact with a liquid surface has emerged as a bipartite research field, for which we introduce here the term “plasma physics of liquids.” Despite the intensive research investments during the recent decennia, this field is plagued by some controversies and gaps in knowledge, which might restrict further progress. The main difficulties in understanding revolve around the basic mechanisms of plasma initiation in the liquid phase and the electrical interactions at a plasma-liquid interface, which require an interdisciplinary approach. This review aims to provide the wide applied physics community with a general overview of the field, as well as the opportunities for interdisciplinary research on topics, such as nanobubbles and the floating water bridge, and involving the research domains of amorphous semiconductors, solid state physics, thermodynamics, material science, analytical chemistry, electrochemistry, and molecular dynamics simulations. In addition, we provoke awareness of experts in the field on yet underappreciated question marks. Accordingly, a strategy for future experimental and simulation work is proposed. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000446117000003 | Publication Date | 2018-07-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1931-9401 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 13.667 | Times cited | 33 | Open Access | OpenAccess |
Notes | P. Vanraes acknowledges funding by a University of Antwerp BOF grant. The authors express their gratitude to Professor Dr. Peter Bruggeman (University of Minnesota, USA) for very useful comments on a draft of Sec. III C. P. Vanraes is very grateful to Professor Dr. Lars Pettersson (Stockholm University, Sweden) for the interesting discussions on the microscopic structure of water, to Dr. Xiaolong Deng (National University of Defense Technology, China) for his help with the figures, to Dr. Anton Nikiforov (Ghent University, Belgium) for the help with retrieving the relevant chapter of Ref. 319, and to Dr. Tatiana Nikitenko (Vitebst State Masherov University, Belarus), Katja Nygard (Netherlands), Iryna Kuchakova (Ghent University, Belgium), and Mindaugas Kersys (Lithuania) for their tremendous help with the translation of the corresponding chapter. | Approved | Most recent IF: 13.667 | ||
Call Number | PLASMANT @ plasmant @c:irua:152823 | Serial | 5001 | ||
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Author | van den Bos, K.H.W.; Altantzis, T.; De Backer, A.; Van Aert, S.; Bals, S. | ||||
Title | Recent breakthroughs in scanning transmission electron microscopy of small species | Type | A1 Journal article | ||
Year | 2018 | Publication | Advances in Physics: X | Abbreviated Journal | Advances in Physics: X |
Volume | 3 | Issue | 3 | Pages | 1480420 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Over the last decade, scanning transmission electron microscopy has become one of the most powerful tools to characterise nanomaterials at the atomic scale. Often, the ultimate goal is to retrieve the three-dimensional structure, which is very challenging since small species are typically sensitive to electron irradiation. Nevertheless, measuring individual atomic positions is crucial to understand the relation between the structure and physicochemical properties of these (nano)materials. In this review, we highlight the latest approaches that are available to reveal the 3D atomic structure of small species. Finally, we will provide an outlook and will describe future challenges where the limits of electron microscopy will be pushed even further. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000441619500001 | Publication Date | 2018-08-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2374-6149 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 8 | Open Access | OpenAccess | |
Notes | This work was supported by the Research Foundation Flanders (FWO, Belgium) under Grant G.0368.15N, G.0369.15N, and G.0267.18N, by personal FWO Grants to K. H. W. van den Bos, T. Altantzis, and A. De Backer, and the European Research Council under Grant 335078 COLOURATOM to S. Bals. The authors would like to thank the colleagues who have contributed to this work over the years, including A. M. Abakumov, K. J. Batenburg, E. Countiño-Gonzalez, C. de Mello Donega, R. Erni, J. J. Geuchies, B. Goris, J. Hofkens, L. Jones, P. Lievens, L. M. Liz-Marzán, I. Lobato, G. T. Martinez, P. D. Nellist, B. Partoens, M. B. J. Roeffaers, M.D. Rossell, B. Schoeters, M. J. Van Bael, W. van der Stam, M. van Huis, G. Van Tendeloo, D. Vanmaekelbergh, and N. Winckelmans. (ROMEO:green; preprint:; postprint:can ; pdfversion:can); saraecas; ECAS_Sara; | Approved | Most recent IF: NA | ||
Call Number | EMAT @ emat @c:irua:152820UA @ admin @ c:irua:152820 | Serial | 5007 | ||
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Author | Hai, G.-Q.; Candido, L.; Brito, B.G.A.; Peeters, F.M. | ||||
Title | Electron pairing: from metastable electron pair to bipolaron | Type | A1 Journal article | ||
Year | 2018 | Publication | Journal of physics communications | Abbreviated Journal | |
Volume | 2 | Issue | 3 | Pages | Unsp 035017 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band. | ||||
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Corporate Author | Thesis | ||||
Publisher | IOP Publishing | Place of Publication | Bristol | Editor | |
Language | Wos | 000434996900022 | Publication Date | 2018-02-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2399-6528 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 9 | Open Access | ||
Notes | ; This work was supported by the Brazilian agencies FAPESP and CNPq. GQH would like to thank Prof. Bangfen Zhu for his invaluable support and expert advice. ; | Approved | Most recent IF: NA | ||
Call Number | UA @ lucian @ c:irua:152079UA @ admin @ c:irua:152079 | Serial | 5022 | ||
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Author | Gul, A.; Bacaksiz, C.; Unsal, E.; Akbali, B.; Tomak, A.; Zareie, H.M.; Sahin, H. | ||||
Title | Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS2 | Type | A1 Journal article | ||
Year | 2018 | Publication | Materials Research Express | Abbreviated Journal | Mater Res Express |
Volume | 5 | Issue | 3 | Pages | 036415 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated phonon bands reveal that the HDT molecules bind covalently to MoS2. Surface morphology of MoS2/HDTstructure is changed upon conjugation ofHDTon MoS2 and characterized by using Scanning Electron Microscope (SEM). Density Functional Theory (DFT) based calculations show that HOMO-LUMO band gap of HDT is altered after the conjugation and two-S binding (handle-like) configuration is energetically most favorable among three different structures. This study displays that the facile thiol functionalization process of MoS2 is promising strategy for obtaining solution processable MoS2. | ||||
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Corporate Author | Thesis | ||||
Publisher | IOP Publishing | Place of Publication | Bristol | Editor | |
Language | Wos | 000428781400003 | Publication Date | 2018-03-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2053-1591 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.068 | Times cited | 2 | Open Access | |
Notes | ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 116C073. HS acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ; | Approved | Most recent IF: 1.068 | ||
Call Number | UA @ lucian @ c:irua:154607UA @ admin @ c:irua:154607 | Serial | 5133 | ||
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Author | Zarenia, M.; Hamilton, A.R.; Peeters, F.M.; Neilson, D. | ||||
Title | Multiband mechanism for the sign reversal of Coulomb drag observed in double bilayer graphene heterostructures | Type | A1 Journal article | ||
Year | 2018 | Publication | Physical review letters | Abbreviated Journal | Phys Rev Lett |
Volume | 121 | Issue | 3 | Pages | 036601 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Coupled 2D sheets of electrons and holes are predicted to support novel quantum phases. Two experiments of Coulomb drag in electron-hole (e-h) double bilayer graphene (DBLG) have reported an unexplained and puzzling sign reversal of the drag signal. However, we show that this effect is due to the multiband character of DBLG. Our multiband Fermi liquid theory produces excellent agreement and captures the key features of the experimental drag resistance for all temperatures. This demonstrates the importance of multiband effects in DBLG: they have a strong effect not only on superfluidity, but also on the drag. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000438883600008 | Publication Date | 2018-07-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0031-9007 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.462 | Times cited | 7 | Open Access | |
Notes | ; We are grateful to Cory Dean, Emanuel Tutuc, and their research groups for discussing details of their experiments with us. This work was partially supported by the Flemish Science Foundation (FWO-Vl), the Methusalem program of the Flemish government, and the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics Technologies (Project No. CE170100039). D. N. acknowledges support from the University of Camerino FAR project CESEMN. ; | Approved | Most recent IF: 8.462 | ||
Call Number | UA @ lucian @ c:irua:152416UA @ admin @ c:irua:152416 | Serial | 5116 | ||
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Author | Liu, M.; Yi, Y.; Wang, L.; Guo, H.; Bogaerts, A | ||||
Title | Hydrogenation of Carbon Dioxide to Value-Added Chemicals by Heterogeneous Catalysis and Plasma Catalysis | Type | A1 Journal article | ||
Year | 2019 | Publication | Catalysts | Abbreviated Journal | Catalysts |
Volume | 9 | Issue | 3 | Pages | 275 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Due to the increasing emission of carbon dioxide (CO2), greenhouse effects are becoming more and more severe, causing global climate change. The conversion and utilization of CO2 is one of the possible solutions to reduce CO2 concentrations. This can be accomplished, among other methods, by direct hydrogenation of CO2, producing value-added products. In this review, the progress of mainly the last five years in direct hydrogenation of CO2 to value-added chemicals (e.g., CO, CH4, CH3OH, DME, olefins, and higher hydrocarbons) by heterogeneous catalysis and plasma catalysis is summarized, and research priorities for CO2 hydrogenation are proposed. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000465012800055 | Publication Date | 2019-03-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2073-4344 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.082 | Times cited | Open Access | OpenAccess | |
Notes | Fundamental Research Funds for the Central Universities of China , DUT18JC42 32249 ; National Natural Science Foundation of China , 21503032 ; PetroChina Innovation Foundation , 2018D-5007-0501 ; | Approved | Most recent IF: 3.082 | ||
Call Number | PLASMANT @ plasmant @UA @ admin @ c:irua:158094 | Serial | 5162 | ||
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Author | Cautaerts, N.; Delville, R.; Schryvers, D. | ||||
Title | ALPHABETA: a dedicated open-source tool for calculating TEM stage tilt angles | Type | A1 Journal article | ||
Year | 2019 | Publication | Journal of microscopy | Abbreviated Journal | J Microsc-Oxford |
Volume | 273 | Issue | 3 | Pages | 189-198 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000458426100004 | Publication Date | 2018-12-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-2720 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.692 | Times cited | 2 | Open Access | Not_Open_Access |
Notes | ENGIE Ph.D. sponsorship, 2015-AC-007 – BSUEZ6900 ; | Approved | Most recent IF: 1.692 | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:157474 | Serial | 5163 | ||
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Author | Khalilov, U.; Vets, C.; Neyts, E.C. | ||||
Title | Molecular evidence for feedstock-dependent nucleation mechanisms of CNTs | Type | A1 Journal article | ||
Year | 2019 | Publication | Nanoscale Horizons | Abbreviated Journal | Nanoscale Horiz. |
Volume | 4 | Issue | 3 | Pages | 674-682 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Atomic scale simulations have been shown to be a powerful tool for elucidating the growth mechanisms of carbon nanotubes. The growth picture is however not entirely clear yet due to the gap between current simulations and real experiments. We here simulate for the first time the nucleation and subsequent growth of single-wall carbon nanotubes (SWNTs) from oxygen-containing hydrocarbon feedstocks using the hybrid Molecular Dynamics/Monte Carlo technique. The underlying nucleation mechanisms of Ni-catalysed SWNT growth are discussed in detail. Specifically, we find that as a function of the feedstock, different carbon fractions may emerge as the main growth species, due to a competition between the feedstock decomposition, its rehydroxylation and its contribution to etching of the growing SWNT. This study provides a further understanding of the feedstock effects in SWNT growth in comparison with available experimental evidence as well as with<italic>ab initio</italic>and other simulation data, thereby reducing the simulation–experiment gap. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000471816500011 | Publication Date | 2019-01-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2055-6756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 1 | Open Access | Not_Open_Access: Available from 03.01.2020 | |
Notes | Fonds Wetenschappelijk Onderzoek, 12M1318N 1S22516N ; The authors gratefully acknowledge financial support from the Research Foundation Flanders (FWO), Belgium (Grant numbers 12M1318N and 1S22516N). The work was carried out in part using the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by FWO and the Flemish Government (Department EWI). We thank Prof. A. C. T. van Duin for sharing the reax-code and forcefield parameters. | Approved | Most recent IF: NA | ||
Call Number | PLASMANT @ plasmant @UA @ admin @ c:irua:159658 | Serial | 5169 | ||
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