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Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. url  doi
openurl 
  Title Carrier transport in two-dimensional topological insulator nanoribbons in the presence of vacancy defects Type A1 Journal article
  Year 2019 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 6 Issue 2 Pages 025011  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the non-equilibrium Green's function formalism, we study carrier transport through imperfect two-dimensional (2D) topological insulator (TI) ribbons. In particular, we investigate the effect of vacancy defects on the carrier transport in 2D TI ribbons with hexagonal lattice structure. To account for the random distribution of the vacancy defects, we present a statistical study of varying defect densities by stochastically sampling different defect configurations. We demonstrate that the topological edge states of TI ribbons are fairly robust against a high concentration (up to 2%) of defects. At very high defect densities, we observe an increased inter-edge interaction, mediated by the localisation of the edge states within the bulk region. This effect causes significant back-scattering of the, otherwise protected, edge-states at very high defect concentrations (>2%), resulting in a loss of conduction through the TI ribbon. We discuss how this coherent vacancy scattering can be used to our advantage for the development of TI-based transistors. We find that there is an optimal concentration of vacancies yielding an ON-OFF current ratio of up to two orders of magnitude. Finally, we investigate the importance of spin-orbit coupling on the robustness of the edge states in the TI ribbon and show that increased spin-orbit coupling could further increase the ON-OFF ratio.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000457856400002 Publication Date 2019-01-22  
  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 (down) 6.937 Times cited 3 Open Access  
  Notes ; This material is based in part upon work supported by the National Science Foundation under Grant Number 1710066. The project or effort depicted was or is sponsored by the Department of Defense, Defense Threat Reduction Agency. The content of the information does not necessarily reflect the position or the policy of the federal government, and no official endorsement should be inferred. This work was supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:157464 Serial 5198  
Permanent link to this record
 

 
Author Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M. pdf  url
doi  openurl
  Title Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene Type A1 Journal article
  Year 2019 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 6 Issue 1 Pages 015032  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard Kubo formula, we show that the optical conductivity and the linear dichroism of few-layer phosphorene can be modulated by a perpendicular electric field. We find that the field-induced charge screening plays a significant role in modulating the optical conductivity and the linear dichroism. Distinct absorption peaks are induced in the conductivity spectrum due to the strong quantum confinement along the out-of-plane direction and to the field-induced forbidden-to-allowed transitions. The field modulation of the linear dichroism becomes more pronounced with increasing number of phosphorene layers. We also show that the Faraday rotation is present in few-layer phosphorene even in the absence of an external magnetic field. This optical Hall effect is induced by the reduced lattice symmetry of few-layer phosphorene. The Faraday rotation is greatly influenced by the field-induced charge screening and is strongly dependent on the strength of perpendicular electric field and on the number of phosphorene layers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000454321100002 Publication Date 2018-11-28  
  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 (down) 6.937 Times cited 23 Open Access  
  Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:156776 Serial 5207  
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Author Heyne, M.H.; Marinov, D.; Braithwaite, N.; Goodyear, A.; de Marneffe, J.-F.; Cooke, M.; Radu, I.; Neyts, E.C.; De Gendt, S. pdf  doi
openurl 
  Title A route towards the fabrication of 2D heterostructures using atomic layer etching combined with selective conversion Type A1 Journal article
  Year 2019 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 6 Issue 3 Pages 035030  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Heterostructures of low-dimensional semiconducting materials, such as transition metal dichalcogenides (MX2), are promising building blocks for future electronic and optoelectronic devices. The patterning of one MX2 material on top of another one is challenging due to their structural similarity. This prevents an intrinsic etch stop when conventional anisotropic dry etching processes are used. An alternative approach consist in a two-step process, where a sacrificial silicon layer is pre-patterned with a low damage plasma process, stopping on the underlying MoS2 film. The pre-patterned layer is used as sacrificial template for the formation of the top WS2 film. This study describes the optimization of a cyclic Ar/Cl-2 atomic layer etch process applied to etch silicon on top of MoS2, with minimal damage, followed by a selective conversion of the patterned Si into WS2. The impact of the Si atomic layer etch towards the MoS2 is evaluated: in the ion energy range used for this study, MoS2 removal occurs in the over-etch step over 1-2 layers, leading to the appearance of MoOx but without significant lattice distortions to the remaining layers. The combination of Si atomic layer etch, on top of MoS2, and subsequent Si-to-WS2 selective conversion, allows to create a WS2/MoS2 heterostructure, with clear Raman signals and horizontal lattice alignment. These results demonstrate a scalable, transfer free method to achieve horizontally individually patterned heterostacks and open the route towards wafer-level processing of 2D materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000468335500004 Publication Date 2019-04-23  
  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 (down) 6.937 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:160229 Serial 5266  
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Author Van Pottelberge, R.; Moldovan, D.; Milovanović, S.P.; Peeters, F.M. pdf  doi
openurl 
  Title Molecular collapse in monolayer graphene Type A1 Journal article
  Year 2019 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 6 Issue 4 Pages 045047  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Atomic collapse is a phenomenon inherent to relativistic quantum mechanics where electron states dive in the positron continuum for highly charged nuclei. This phenomenon was recently observed in graphene. Here we investigate a novel collapse phenomenon when multiple sub- and supercritical charges of equal strength are put close together as in a molecule. We construct a phase diagram which consists of three distinct regions: (1) subcritical, (2) frustrated atomic collapse, and (3) molecular collapse. We show that the single impurity atomic collapse resonances rearrange themselves to form molecular collapse resonances which exhibit a distinct bonding, anti-bonding and non-bonding character. Here we limit ourselves to systems consisting of two and three charges. We show that by tuning the distance between the charges and their strength a high degree of control over the molecular collapse resonances can be achieved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000487692200003 Publication Date 2019-08-30  
  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 (down) 6.937 Times cited 10 Open Access  
  Notes ; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research Grant for RVP and a postdoctoral Grant for SPM. ; Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:163756 Serial 5422  
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Author Reyntjens, P.D.; Tiwari, S.; van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. url  doi
openurl 
  Title Magnetic properties and critical behavior of magnetically intercalated WSe₂ : a theoretical study Type A1 Journal article
  Year 2021 Publication 2d Materials Abbreviated Journal 2D Mater  
  Volume 8 Issue 2 Pages 025009  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Transition metal dichalcogenides, intercalated with transition metals, are studied for their potential applications as dilute magnetic semiconductors. We investigate the magnetic properties of WSe2 doped with third-row transition metals (Co, Cr, Fe, Mn, Ti and V). Using density functional theory in combination with Monte Carlo simulations, we obtain an estimate of the Curie or Neel temperature. We find that the magnetic ordering is highly dependent on the dopant type. While Ti and Cr-doped WSe2 have a ferromagnetic ground state, V, Mn, Fe and Co-doped WSe2 are antiferromagnetic in their ground state. For Fe doped WSe2, we find a high Curie-temperature of 327 K. In the case of V-doped WSe2, we find that there are two distinct magnetic phase transitions, originating from a frustrated in-plane antiferromagnetic exchange interaction and a ferromagnetic out-of-plane interaction. We calculate the formation energy and reveal that, in contrast to earlier reports, the formation energy is positive for the intercalated systems studied here. We also show that in the presence of W-vacancies, it becomes favorable for Ti, Fe, and Co to intercalate in WSe2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000601127600001 Publication Date 2020-12-09  
  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 (down) 6.937 Times cited 1 Open Access OpenAccess  
  Notes ; The project or effort depicted was or is sponsored by the Department of Defense, Defense Threat Reduction Agency. The content of the information does not necessarily reflect the position or the policy of the federal government, and no official endorsement should be inferred. This material is based upon work supported by the National Science Foundation under Grant No. 1802166. Any opinions, findings and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation. This work was supported by IMEC's Industrial Affiliation Program. Peter D Reyntjens acknowledges support by the Eugene McDermott Fellowship program, under Grant Number 201806. ; Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:174951 Serial 6692  
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Author Lavor, I.R.; Cavalcante, L.S.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B. url  doi
openurl 
  Title Probing the structure and composition of van der Waals heterostructures using the nonlocality of Dirac plasmons in the terahertz regime Type A1 Journal article
  Year 2021 Publication 2d Materials Abbreviated Journal 2D Mater  
  Volume 8 Issue 1 Pages 015014  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Dirac plasmons in graphene are very sensitive to the dielectric properties of the environment. We show that this can be used to probe the structure and composition of van der Waals heterostructures (vdWh) put underneath a single graphene layer. In order to do so, we assess vdWh composed of hexagonal boron nitride and different types of transition metal dichalcogenides (TMDs). By performing realistic simulations that account for the contribution of each layer of the vdWh separately and including the importance of the substrate phonons, we show that one can achieve single-layer resolution by investigating the nonlocal nature of the Dirac plasmon-polaritons. The composition of the vdWh stack can be inferred from the plasmon-phonon coupling once it is composed by more than two TMD layers. Furthermore, we show that the bulk character of TMD stacks for plasmonic screening properties in the terahertz regime is reached only beyond 100 layers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000582820500001 Publication Date 2020-10-06  
  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 (down) 6.937 Times cited 4 Open Access OpenAccess  
  Notes ; This work was financially supported by the Brazilian Council for Research (CNPq), Brazilian National Council for the Improvement of Higher Education (CAPES) and by the Research Foundation Flanders (FWO) through a postdoctoral fellowship to B.V.D. ; Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:173507 Serial 6696  
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Author Petrov, M.; Bekaert, J.; Milošević, M.V. pdf  url
doi  openurl
  Title Superconductivity in gallenene Type A1 Journal article
  Year 2021 Publication 2d Materials Abbreviated Journal 2D Mater  
  Volume 8 Issue 3 Pages 035056  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Among the large variety of two-dimensional (2D) materials discovered to date, elemental monolayers that host superconductivity are very rare. Using ab initio calculations we show that recently synthesized gallium monolayers, coined gallenene, are intrinsically superconducting through electron-phonon coupling. We reveal that Ga-100 gallenene, a planar monolayer isostructural with graphene, is the structurally simplest 2D superconductor to date, furthermore hosting topological edge states due to its honeycomb structure. Our anisotropic Eliashberg calculations show distinctly three-gap superconductivity in Ga-100, in contrast to the alternative buckled Ga-010 gallenene which presents a single anisotropic superconducting gap. Strikingly, the critical temperature (T ( c )) of gallenene is in the range of 7-10 K, exceeding the T ( c ) of bulk gallium from which it is exfoliated. Finally we explore chemical functionalization of gallenene with hydrogen, and report induced multigap superconductivity with an enhanced T ( c ) in the resulting gallenane compound.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000667458500001 Publication Date 2021-06-01  
  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 (down) 6.937 Times cited 8 Open Access OpenAccess  
  Notes Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:179623 Serial 7025  
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Author Lavor, I.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B. pdf  url
doi  openurl
  Title Tunable coupling of terahertz Dirac plasmons and phonons in transition metal dichalcogenide-based van der Waals heterostructures Type A1 Journal article
  Year 2021 Publication 2d Materials Abbreviated Journal 2D Mater  
  Volume Issue Pages 015018  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Dirac plasmons in graphene hybridize with phonons of transition metal dichalcogenides (TMDs) when the materials are combined in so-called van der Waals heterostructures (vdWh), thus forming surface plasmon-phonon polaritons (SPPPs). The extend to which these modes are coupled depends on the TMD composition and structure, but also on the plasmons' properties. By performing realistic simulations that account for the contribution of each layer of the vdWh separately, we calculate how the strength of plasmon-phonon coupling depends on the number and composition of TMD layers, on the graphene Fermi energy and the specific phonon mode. From this, we present a semiclassical theory that is capable of capturing all relevant characteristics of the SPPPs. We find that it is possible to realize both strong and ultra-strong coupling regimes by tuning graphene's Fermi energy and changing TMD layer number.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000722020100001 Publication Date 2021-11-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record  
  Impact Factor (down) 6.937 Times cited 1 Open Access OpenAccess  
  Notes Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:183053 Serial 7036  
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Author Erfurt, D.; Koida, T.; Heinemann, M.D.; Li, C.; Bertram, T.; Nishinaga, J.; Szyszka, B.; Shibata, H.; Klenk, R.; Schlatmann, R. url  doi
openurl 
  Title Impact of rough substrates on hydrogen-doped indium oxides for the application in CIGS devices Type A1 Journal article
  Year 2020 Publication Solar Energy Materials And Solar Cells Abbreviated Journal Sol Energ Mat Sol C  
  Volume 206 Issue Pages 110300  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Indium oxide based transparent conductive oxides (TCOs) are promising contact layers in solar cells due to their outstanding electrical and optical properties. However, when applied in Cu(In,Ga)Se-2 or Si-hetero-junction solar cells the specific roughness of the material beneath can affect the growth and the properties of the TCO. We investigated the electrical properties of hydrogen doped and hydrogen-tungsten co-doped indium oxides grown on rough Cu(In,Ga)Se-2 samples as well as on textured and planar glass. At sharp ridges and V-shaped valleys crack-shaped voids form inside the indium oxide films, which limit the effective electron mobility of the In2O3:H and In2O3:H,W thin films. This was found for films deposited by magnetron sputtering and reactive plasma deposition at several deposition parameters, before as well as after annealing and solid phase crystallization. This suggests universal behavior that will have a wide impact on solar cell devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000519653800038 Publication Date 2019-11-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.9 Times cited 5 Open Access OpenAccess  
  Notes ; This work was supported by the German Federal Ministry for Economic Affairs and Energy under contract number 0325762G (TCO4CIGS). The authors thank M. Hartig, K. Mayer-Stillrich, I. Dorbandt, B. Bunn, M. Kirsch for technical support. C. Li is grateful for financial support from Max Planck Society, Germany and technical support from the MPI FKF StEM group members. ; Approved Most recent IF: 6.9; 2020 IF: 4.784  
  Call Number UA @ admin @ c:irua:168668 Serial 6544  
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Author Hu, L.; Amini, M.N.; Wu, Y.; Jin, Z.; Yuan, J.; Lin, R.; Wu, J.; Dai, Y.; He, H.; Lu, Y.; Lu, J.; Ye, Z.; Han, S.-T.; Ye, J.; Partoens, B.; Zeng, Y.-J.; Ruan, S. pdf  doi
openurl 
  Title Charge transfer doping modulated raman scattering and enhanced stability of black phosphorus quantum dots on a ZnO nanorod Type A1 Journal article
  Year 2018 Publication Advanced Optical Materials Abbreviated Journal Adv Opt Mater  
  Volume 6 Issue 15 Pages 1800440  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Black phosphorus (BP) has recently triggered an unprecedented interest in the 2D community. However, many of its unique properties are not exploited and the well-known environmental vulnerability is not conquered. Herein, a type-I mixed-dimensional (0D-1D) van der Waals heterojunction is developed, where three-atomic-layer BP quantum dots (QDs) are assembled on a single ZnO nanorod (NR). By adjusting the indium (In) content in ZnO NRs, the degree and even the direction of surface charge transfer doping within the heterojunction can be tuned, which result in selective Raman scattering enhancements between ZnO and BP. The maximal enhancement factor is determined as 4340 for BP QDs with sub-ppm level. Furthermore, an unexpected long-term ambient stability (more than six months) of BP QDs is revealed, which is ascribed to the electron doping from ZnO:In NRs. The first demonstration of selective Raman enhancements between two inorganic semiconductors as well as the improved stability of BP shed light on this emerging 2D material.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000440815200023 Publication Date 2018-05-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2195-1071 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.875 Times cited 37 Open Access Not_Open_Access  
  Notes ; L. Hu and M. N. Amini contributed equally to this work. This work was supported by the National Natural Science Foundation of China under Grant Nos. 51502178, 81571763 and 81622026, the Shenzhen Science and Technology Project under Grant Nos. JCYJ20150324141711644, JCYJ20170412105400428, KQJSCX20170727101208249 and JCYJ20170302153853962. Parts of the computational calculations were carried out using the HPC infrastructure at University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the FWO-Vlaanderen and the Flemish Government (EWI Department). L. H. acknowledges the PhD Start-up Fund of Natural Science Foundation of Guangdong Province under Grand No. 2017A030310072. J. Y. acknowledges the funding of Shanghai Jiao Tong University (Nos. YG2016MS51 and YG2017MS54). ; Approved Most recent IF: 6.875  
  Call Number UA @ lucian @ c:irua:153112UA @ admin @ c:irua:153112 Serial 5082  
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Author González‐Rubio, G.; Díaz‐Núñez, P.; Albrecht, W.; Manzaneda‐González, V.; Bañares, L.; Rivera, A.; Liz‐Marzán, L.M.; Peña‐Rodríguez, O.; Bals, S.; Guerrero‐Martínez, A. url  doi
openurl 
  Title Controlled Alloying of Au@Ag Core–Shell Nanorods Induced by Femtosecond Laser Irradiation Type A1 Journal article
  Year 2021 Publication Advanced Optical Materials Abbreviated Journal Adv Opt Mater  
  Volume Issue Pages 2002134  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000625964300001 Publication Date 2021-03-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2195-1071 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.875 Times cited 10 Open Access OpenAccess  
  Notes G.G.‐R., P.D.‐N., and W.A. contributed equally to this work. This work was funded by the Spanish Ministry of Science, Innovation and Universities (MICIU) (Grant Nos. RTI2018‐095844‐B‐I00, PID2019‐105325RB, and PGC2018‐096444‐B‐I00), the Madrid Regional Government (Grant Nos. P2018/NMT‐4389 and S2018/EMT‐4437), and the EUROfusion Consortium (grant ENR‐IFE19.CCFE‐01). This work was supported by COST (European Cooperation in Science and Technology) Action TUMIEE (Grant No. CA17126). S.B. and W.A. acknowledge funding from the European Research Council under the European Union's Horizon 2020 Research and Innovation Program (ERC Consolidator Grant No. 815128 – REALNANO). All the authors acknowledge funding from the European Commission (Grant No. E180900184‐EUSMI). G.G.‐R. thanks the Spanish MICIU for an FPI (Grant No. BES‐2014‐068972) fellowship. W.A. acknowledges an Individual Fellowship from the Marie Sklodowska‐Curie actions (MSCA) under the EU's Horizon 2020 Program (Grant No. 797153, SOPMEN). The facilities provided by the Center for Ultrafast Laser of Complutense University of Madrid are gratefully acknowledged. The authors also acknowledge the computer resources and technical assistance provided by CESVIMA (UPM).; sygmaSB Approved Most recent IF: 6.875  
  Call Number EMAT @ emat @c:irua:177586 Serial 6758  
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Author Verheyen, E.; Jo, C.; Kurttepeli, M.; Vanbutsele, G.; Gobechiya, E.; Korányi, T.I.; Bals, S.; Van Tendeloo, G.; Ryoo, R.; Kirschhock, C.E.A.; Martens, J.A.; pdf  doi
openurl 
  Title Molecular shape-selectivity of MFI zeolite nanosheets in n-decane isomerization and hydrocracking Type A1 Journal article
  Year 2013 Publication Journal of catalysis Abbreviated Journal J Catal  
  Volume 300 Issue Pages 70-80  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract MFI zeolite nanosheets with thickness of 2 and 8 nm were synthesized, transformed into bifunctional catalysts by loading with platinum and tested in n-decane isomerization and hydrocracking. Detailed analysis of skeletal isomers and hydrocracked products revealed that the MFI nanosheets display transition-state shape-selectivity similar to bulk MFI zeolite crystals. The suppressed formation of bulky skeletal isomers and C5 cracking products are observed both in the nanosheets and the bulk crystals grown in three dimensions. This is typical for restricted transition-state shape-selectivity, characteristic for the MFI type pores. It is a first clear example of transition-state shape-selectivity inside a zeolitic nanosheet. Owing to the short diffusion path across the sheets, expression of diffusion-based discrimination of reaction products in the MFI nanosheets was limited. The 2-methylnonane formation among monobranched C10 isomers and 2,7-dimethyloctane among dibranched C10 isomers, which in MFI zeolite are favored by product diffusion, was much less favored on the nanosheets compared to the reference bulk ZSM-5 material.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication San Diego, Calif. Editor  
  Language Wos 000317558000009 Publication Date 2013-02-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9517; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.844 Times cited 121 Open Access  
  Notes Methusalem; IAP; Countatoms Approved Most recent IF: 6.844; 2013 IF: 6.073  
  Call Number UA @ lucian @ c:irua:106186 Serial 2181  
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Author Dams, M.; Drijkoningen, L.; Pauwels, B.; Van Tendeloo, G.; de Vos, D.E.; Jacobs, P.A. pdf  doi
openurl 
  Title Pd-zeolites as heterogeneous catalysts in heck chemistry Type A1 Journal article
  Year 2002 Publication Journal of catalysis Abbreviated Journal J Catal  
  Volume 209 Issue 1 Pages 225-236  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000176501100027 Publication Date 2002-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9517; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.844 Times cited 157 Open Access  
  Notes Approved Most recent IF: 6.844; 2002 IF: 3.118  
  Call Number UA @ lucian @ c:irua:54844 Serial 2567  
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Author Philippaerts, A.; Paulussen, S.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Poelman, H.; Bulut, M.; de Clippel, F.; Smeets, P.; Sels, B.; Jacobs, P. pdf  doi
openurl 
  Title Selectivity in sorption and hydrogenation of methyl oleate and elaidate on MFI zeolites Type A1 Journal article
  Year 2010 Publication Journal of catalysis Abbreviated Journal J Catal  
  Volume 270 Issue 1 Pages 172-184  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Different zeolites were tested for selective removal of methyl elaidate (trans isomer) from an equimolar mixture with methyl oleate (cis isomer). Sorption experiments of the geometric isomers show that only ZSM-5 samples with reduced Al content in the framework are able to discriminate among the bent cis and the linear trans fatty acid methyl esters. Hydrogenation experiments of equimolar methyl oleate and elaidate mixtures at low temperature (65 °C) and high hydrogen pressure (6.0 MPa), using Pt catalysts, confirm this result. Only with a Pt/NaZSM-5 catalyst outspoken selectivity for the hydrogenation of the trans isomer is obtained. In order to prepare a selective Pt/ZSM-5 catalyst, the influence of Pt addition (impregnation, ion-exchange and competitive ion-exchange) and Pt activation (different calcination and reduction temperatures) on the Pt-distribution and Pt particle size was investigated using SEM, bright-field and HR TEM, EDX, electron tomography, CO-chemisorption, XPS, XRD, and UVvis measurements. The best result in terms of hydrogenation activity and selectivity is obtained with a Pt/ZSM-5 catalyst, which is prepared via competitive ion-exchange, followed by slow calcination up to 350 °C under high O2 flow and a reduction up to 500 °C under H2. This preparation method leads to a Pt/ZSM-5 catalyst with the best Pt distribution and the smallest Pt clusters occluded in the zeolite structure. Finally, the influence of zeolite crystal size, morphology, and elemental composition of ZSM-5 on hydrogenation activity and selectivity was investigated in detail.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication San Diego, Calif. Editor  
  Language Wos 000275966100021 Publication Date 2010-01-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9517; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.844 Times cited 24 Open Access  
  Notes FWO; IAP-IV; Methusalem Approved Most recent IF: 6.844; 2010 IF: 5.415  
  Call Number UA @ lucian @ c:irua:82435 Serial 2970  
Permanent link to this record
 

 
Author Leus, K.; Liu, Y.-Y.; Meledina, M.; Turner, S.; Van Tendeloo, G.; van der Voort, P. pdf  doi
openurl 
  Title A MoVI grafted metal organic framework : synthesis, characterization and catalytic investigations Type A1 Journal article
  Year 2014 Publication Journal of catalysis Abbreviated Journal J Catal  
  Volume 316 Issue Pages 201-209  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We present the post-modification of a gallium based Metal Organic Framework, COMOC-4, with a Mo-complex. The resulting Mo@COMOC-4 was characterized by means of N2 sorption, XRPD, DRIFT, TGA, XRF, XPS and TEM analysis. The results demonstrate that even at high Mo-complex loadings on the framework, no aggregation or any Mo or Mo oxide species are formed. Moreover, the Mo@COMOC-4 was evaluated as a catalyst in the epoxidation of cyclohexene, cyclooctene and cyclododecene employing TBHP in decane as oxidant. The post-modified COMOC-4 exhibits a very high selectivity toward the epoxide (up to 100%). Regenerability and stability tests have been carried out demonstrating that the catalyst can be recycled without leaching of Mo or loss of crystallinity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication San Diego, Calif. Editor  
  Language Wos 000340853800020 Publication Date 2014-06-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9517; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.844 Times cited 36 Open Access  
  Notes European Research Council under the Seventh Framework Program (FP7); ; ERC Grant No. 246791 – COUNTATOMS; Hercules; FWO Approved Most recent IF: 6.844; 2014 IF: 6.921  
  Call Number UA @ lucian @ c:irua:117416 Serial 3546  
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Author Mahr, C.; Kundu, P.; Lackmann, A.; Zanaga, D.; Thiel, K.; Schowalter, M.; Schwan, M.; Bals, S.; Wittstock, A.; Rosenauer, A. pdf  url
doi  openurl
  Title Quantitative determination of residual silver distribution in nanoporous gold and its influence on structure and catalytic performance Type A1 Journal article
  Year 2017 Publication Journal of catalysis Abbreviated Journal J Catal  
  Volume 352 Issue 352 Pages 52-58  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Large efforts have been made trying to understand the origin of the high catalytic activity of dealloyed nanoporous gold as a green catalyst for the selective promotion of chemical reactions at low temperatures. Residual silver, left in the sample after dealloying of a gold-silver alloy, has been shown to have a strong influence on the activity of the catalyst. But the question of how the silver is distributed within the porous structure has not finally been answered yet. We show by quantitative energy dispersive X-ray tomography measurements that silver forms clusters that are distributed irregularly, both on the surface and inside the ligaments building up the porous structure. Furthermore, we find that the role of the residual silver is ambiguous. Whereas CO oxidation is supported by more residual silver, methanol oxidation to methyl formate is hindered. Structural characterisation reveals larger ligaments and pores for decreasing residual silver concentration.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000408299600006 Publication Date 2017-05-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9517 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.844 Times cited 42 Open Access OpenAccess  
  Notes This work was supported by the Deutsche Forschungsgemeinschaft (DFG) under contracts no. RO2057/12-1 (SP 6) and WI4497/1-1 (SP 2) within the research unit FOR2213 (www.nagocat. de) and the European Research Council (ERC Starting Grant No. 335078-COLOURATOMS). (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); ecas_sara Approved Most recent IF: 6.844  
  Call Number EMAT @ emat @c:irua:144434UA @ admin @ c:irua:144434 Serial 4623  
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Author Keulemans, M.; Verbruggen, S.W.; Hauchecorne, B.; Martens, J.A.; Lenaerts, S. pdf  url
doi  openurl
  Title Activity versus selectivity in photocatalysis : morphological or electronic properties tipping the scale Type A1 Journal article
  Year 2016 Publication Journal of catalysis Abbreviated Journal J Catal  
  Volume 344 Issue Pages 221-228  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract In this paper a structure-activity and structure-selectivity relation is established for three commercial TiO2 sources (P25, P90, and PC500). Morphological and electronic parameters of the photocatalysts are determined using widely applicable and inexpensive characterization procedures. More specifically, the electronic properties are rigorously characterized using an electron titration method yielding quantitative information on the amount of defect sites present in the catalyst. Surface photovoltage measurements on the other hand provide complementary information on the charge carrier recombination process. As model reaction, the degradation of a solid layer of stearic acid is studied using an in situ FTIR reaction cell that enables to investigate the catalyst surface and possible formation of reaction intermediates while the reactions are ongoing. We show that the order of photocatalytic conversion is PC500 > P90 > P25, matching the order of favorable morphological properties. In terms of selectivity to CO2 formation (complete mineralization), however, this trend is reversed: P25 > P90 > PC500, now matching the order of advantageous electronic properties, i.e. low charge carrier recombination and high charge carrier generation. With this we intend to provide new mechanistic insights using a wide variety of physical, (wet) chemical and operando analysis methods that aid the development of performant (self-cleaning) photocatalytic materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000390182800022 Publication Date 2016-10-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9517 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.844 Times cited 10 Open Access  
  Notes ; M.K. acknowledges Flemish Agency for Innovation & Entrepreneurship for the doctoral scholarship. S.W.V. acknowledges the Fonds Wetenschappelijk Onderzoek (FWO) for a post-doctoral fellowship. J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem). ; Approved Most recent IF: 6.844  
  Call Number UA @ admin @ c:irua:136339 Serial 5926  
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Author Hamon, C.; Novikov, S.M.; Scarabelli, L.; Solís, D.M.; Altantzis, T.; Bals, S.; Taboada, J.M.; Obelleiro, F.; Liz-Marzán, L.M. pdf  url
doi  openurl
  Title Collective Plasmonic Properties in Few-Layer Gold Nanorod Supercrystals Type A1 Journal article
  Year 2015 Publication ACS Photonics Abbreviated Journal Acs Photonics  
  Volume 2 Issue 2 Pages 1482-1488  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Gold nanorod supercrystals have been widely employed for the detection of relevant bioanalytes with detection limits ranging from nano- to picomolar levels,

confirming the promising nature of these structures for biosensing. Even though a relationship between the height of the supercrystal (i.e., the number of stacked nanorod layers)and the enhancement factor has been proposed, no systematic

study has been reported. In order to tackle this problem, we prepared gold nanorod supercrystals with varying numbers of stacked layers and analyzed them extensively by atomic force microscopy, electron microscopy and surface enhanced Raman scattering. The experimental results were compared to numerical

simulations performed on real-size supercrystals composed of thousands of nanorod building blocks. Analysis of the hot spot distribution in the simulated supercrystals showed the presence of standing waves that were distributed at different depths, depending on the number of layers in each supercrystal. On the basis of these theoretical results, we interpreted the experimental

data in terms of analyte penetration into the topmost layer only, which indicates that diffusion to the interior of the supercrystals would be crucial if the complete field enhancement produced by the stacked nanorods is to be exploited. We propose that our conclusions will be of high relevance in the design of next generation plasmonic devices.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000363435600013 Publication Date 2015-09-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2330-4022 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.756 Times cited 70 Open Access OpenAccess  
  Notes The authors are thankful to Dr. Luis Yate for assistance with sample preparation. This work was supported by the European Research Council (ERC Advanced Grant #267867 Plasmaquo and ERC Starting Grant #335078 Colouratom) and the Spanish Ministerio de Economía y Competitividad (MAT2013-46101-R). D.M.S., J.M.T., and F.O. acknowledge funding from the European Regional Development Fund (ERDF) and the Spanish Ministerio de Economiá y Competitividad (MAT2014-58201-C2-1-R, MAT2014-58201- C2-2-R, Project TACTICA), from the ERDF and the Galician Regional Government under Projects CN2012/279 and CN2012/260 (AtlantTIC) and the Plan I2C (2011−2015), and from the ERDF and the Extremadura Regional Government (Junta de Extremadura Project IB13185).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 6.756; 2015 IF: NA  
  Call Number c:irua:129458 Serial 3978  
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Author Brodu, A.; Ballottin, M.V.; Buhot, J.; van Harten, E.J.; Dupont, D.; La Porta, A.; Prins, P.T.; Tessier, M.D.; Versteegh, M.A.M.; Zwiller, V.; Bals, S.; Hens, Z.; Rabouw, F.T.; Christianen, P.C.M.; de Donega, C.M.; Vanmaekelbergh, D. url  doi
openurl 
  Title Exciton Fine Structure and Lattice Dynamics in InP/ZnSe Core/Shell Quantum Dots Type A1 Journal article
  Year 2018 Publication ACS Photonics Abbreviated Journal Acs Photonics  
  Volume 5 Issue 5 Pages 3353-3362  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Nanocrystalline InP quantum dots (QDs) hold promise for heavy-metal-free optoelectronic applications due to their bright and size tunable emission in the visible range. Photochemical stability and high photoluminescence (PL) quantum yield are obtained by a diversity of epitaxial shells around the InP core. To understand and optimize the emission line shapes, the exciton fine structure of InP core/shell QD systems needs be investigated. Here, we study the exciton fine structure of InP/ZnSe core/shell QDs with core diameters ranging from 2.9 to 3.6 nm (PL peak from 2.3 to 1.95 eV at 4 K). PL decay measurements as a function of temperature in the 10 mK to 300 K range show that the lowest exciton fine structure state is a dark state, from which radiative recombination is assisted by coupling to confined acoustic phonons with energies ranging from 4 to 7 meV, depending on the core diameter. Circularly polarized fluorescence line-narrowing (FLN) spectroscopy at 4 K under high magnetic fields (up to 30 T) demonstrates that radiative recombination from the dark F = +/- 2 state involves acoustic and optical phonons, from both the InP core and the ZnSe shell. Our data indicate that the highest intensity FLN peak is an acoustic phonon replica rather than a zero-phonon line, implying that the energy separation observed between the F = +/- 1 state and the highest intensity peak in the FLN spectra (6 to 16 meV, depending on the InP core size) is larger than the splitting between the dark and bright fine structure exciton states.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000442185900049 Publication Date 2018-07-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2330-4022 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.756 Times cited 40 Open Access OpenAccess  
  Notes ; We acknowledge the support of the HFML-RU/FOM, member of the European Magnetic Field Laboratory (EMFL). D.V. and Z.H. acknowledge support by the European Commission via the Marie-Sklodowska Curie action Phonsi (H2020-MSCA-ITN-642656) and the Marie Sklodowska-Curie Action Compass (H2020 MSCA-RISE-691185). Z.H. acknowledges the Research Foundation Flanders (project 17006602) and Ghent University (GOA no. 01G01513). Z.H. and S.B. acknowledge SIM vzw (SBO-QDOCCO). F.T.R. acknowledges financial support from The Netherlands Organisation for Scientific Research NWO (Gravitation program Multiscale Catalytic Energy Conversion and VENI grant number 722.017.002). This work was also supported by the Dutch NWO-Physics Program DDC13, ERC Advanced Grant 692691 “First step”, and ERC Starting Grant 335078 “COLOURATOM”. ; ecas_sara Approved Most recent IF: 6.756  
  Call Number UA @ lucian @ c:irua:153753UA @ admin @ c:irua:153753 Serial 5100  
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Author Mushtaq, A.; Pradhan, B.; Kushavah, D.; Zhang, Y.; Wolf, M.; Schrenker, N.; Fron, E.; Bals, S.; Hofkens, J.; Debroye, E.; Pal, S.K. pdf  url
doi  openurl
  Title Third-Order Nonlinear Optical Properties and Saturation of Two-Photon Absorption in Lead-Free Double Perovskite Nanocrystals under Femtosecond Excitation Type A1 Journal article
  Year 2021 Publication Acs Photonics Abbreviated Journal Acs Photonics  
  Volume 8 Issue 11 Pages 3365-3374  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Lead halide perovskites have been widely explored

in the field of photovoltaics, light-emitting diodes, and lasers due to

their outstanding linear and nonlinear optical (NLO) properties.

But, the presence of lead toxicity and low chemical stability remain

serious concerns. Lead-free double perovskite with excellent

optical properties and chemical stability could be an alternative.

However, proper examination of the NLO properties of such a

material is crucial to identify their utility for future nonlinear device

applications. Herein, we have made use of femtosecond (fs) Z-scan

technique to explore the NLO properties of Cs2AgIn0.9Bi0.1Cl6

nanocrystals (NCs). Our measurements suggest that under

nonresonant fs excitation, perovskite NCs exhibit strong twophoton

absorption (TPA). The observed saturation of TPA at high

light intensities has been explained by a customized model. Furthermore, we have demonstrated a change in the nonlinear refractive

index of the NCs under varying input intensities. The strong TPA absorption of lead-free double perovskite NCs could be used for

Kerr nonlinearity-based nonlinear applications such as optical shutters for picosecond lasers.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000757024100028 Publication Date 2021-11-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2330-4022 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.756 Times cited 25 Open Access OpenAccess  
  Notes A.M. is thankful to IIT Mandi for his fellowship and Advanced Materials Research Centre for the experimental facilities. A.M. is also thankful to Torbjörn Pascher (Pascher Instrument) for writing the Z-scan data acquisition program. J.H. acknowledges financial support from the Research Foundation-Flanders (FWO, Grant No. G983.19N, G0A5817N, and G0H6316N) and the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04). B.P. acknowledges postdoctoral fellowship from the Research Foundation- Flanders (FWO Grant No. 1275521N). D.K. acknowledges the financial support from Science and Engineering Research Board (Grant No. PDF/2018/003146), India. N.J.S. acknowledges financial support from the Research Foundation- Flanders via a postdoctoral fellowship (FWO Grant No. 1238622N). Approved Most recent IF: 6.756  
  Call Number EMAT @ emat @c:irua:184249 Serial 6832  
Permanent link to this record
 

 
Author Zewdie, M.C.; Van Passel, S.; Moretti, M.; Annys, S.; Tenessa, D.B.; Ayele, Z.A.; Tsegaye, E.A.; Cools, J.; Minale, A.S.; Nyssen, J. url  doi
openurl 
  Title Pathways how irrigation water affects crop revenue of smallholder farmers in northwest Ethiopia: A mixed approach Type A1 Journal article
  Year 2020 Publication Agricultural Water Management Abbreviated Journal Agr Water Manage  
  Volume 233 Issue Pages 106101  
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The relationship between irrigation water availability and crop revenue is multifaceted. However, most of the previous studies focused only on the direct effect of irrigation water on crop revenue or considered that the indirect effect passes only through the farmers’ improved farm inputs usage. Nevertheless, unlike previous studies, this study argues that a one-sided argument that irrigation water directly causes high crop revenue or indirectly affects crop revenue only via the farmers’ improved farm inputs usage is incomplete, as irrigation water not only directly contributes to crop revenue but also indirectly conduces to crop revenue via both the type of crops produced and the farmers’ improved farm inputs usage. Considering the previous studies’ limitations, this study investigates pathways how small-scale irrigation water affects crop revenue and identifies challenges of small-scale irrigation farming in Fogera district, Ethiopia. Results endorsed that irrigation water has both direct and indirect effects on crop revenue. The indirect effect is 67 percent of the total effect and it is mediated by both the type of crops produced and farmers’ improved farm inputs usage. The result also indicated that irrigation user farmers have a higher income, more livestock assets and resources and better food, housing, and cloths than the non-users. Moreover, challenges related to agricultural output and input market were identified as the most severe problem followed by crop disease. The findings of our study suggest that to utilize the benefits of irrigation water properly, it is crucial to encourage farmers to use more improved farm inputs and to shift from staple to cash crop production. Moreover, farmers are frequently exposed to cheating by illegal brokers in the output market, therefore it is also important to increase farmers’ accessibility to output and input markets, the quality of improved farm inputs, and the bargaining power of farmers with market information.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000525291200025 Publication Date 2020-02-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0378-3774 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.7 Times cited Open Access  
  Notes Bahir Dar University – Institutional University Cooperation; Approved Most recent IF: 6.7; 2020 IF: 2.848  
  Call Number ENM @ enm @c:irua:167592 Serial 6353  
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Author Payne, L.M.; Albrecht, W.; Langbein, W.; Borri, P. url  doi
openurl 
  Title The optical nanosizer – quantitative size and shape analysis of individual nanoparticles by high-throughput widefield extinction microscopy Type A1 Journal article
  Year 2020 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume Issue Pages  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Nanoparticles are widely utilised for a range of applications, from catalysis to medicine, requiring accurate knowledge of their size and shape. Current techniques for particle characterisation are either not very accurate or time consuming and expensive. Here we demonstrate a rapid and quantitative method for particle analysis based on measuring the polarisation-resolved optical extinction cross-section of hundreds of individual nanoparticles using wide-field microscopy, and determining the particle size and shape from the optical properties. We show measurements on three samples consisting of nominally spherical gold nanoparticles of 20 nm and 30 nm diameter, and gold nanorods of 30 nm length and 10 nm diameter. Nanoparticle sizes and shapes in three dimensions are deduced from the measured optical cross-sections at different wavelengths and light polarisation, by solving the inverse problem, using an ellipsoid model of the particle polarisability in the dipole limit. The sensitivity of the method depends on the experimental noise and the choice of wavelengths. We show an uncertainty down to about 1 nm in mean diameter, and 10% in aspect ratio when using two or three color channels, for a noise of about 50 nm<sup>2</sup>in the measured cross-section. The results are in good agreement with transmission electron microscopy, both 2D projection and tomography, of the same sample batches. Owing to its combination of experimental simplicity, ease of access to statistics over many particles, accuracy, and geometrical particle characterisation in 3D, this “optical nanosizer” method has the potential to become the technique of choice for quality control in next-generation particle manufacturing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000558928800022 Publication Date 2020-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.7 Times cited Open Access OpenAccess  
  Notes This work was supported by a Welsh Government Life Sciences Bridging Fund (grant LSBF/R6-005) and by the UK EPSRC (grant no. EP/I005072/1 and EP/M028313/1). PB acknowledges the Royal Society for her Wolfson research merit award (grant WM140077). The authors acknowledge funding from the European Commission (Grant EUSMI E191000350). WA acknowledges an Individual Fellowship from the Marie Sklodowska-Curie actions (MSCA) under the EU’s Horizon 2020 program (Grant 797153, SOPMEN), and Sara Bals for supporting the STEM measurements. The bright-field TEM was performed by Thomas Davies at Cardiff University. We acknowledge Attilio Zilli for helpful discussions and contributions in calculating the relative field strengths in the illumination and finite-element simulation of cross-sections shown in the ESI.† We acknowledge Iestyn Pope for technical support of the optical equipment. Approved Most recent IF: 6.7; 2020 IF: 7.367  
  Call Number UA @ lucian @c:irua:170485 Serial 6397  
Permanent link to this record
 

 
Author Bekaert, J.; Sevik, C.; Milošević, M.V. url  doi
openurl 
  Title First-principles exploration of superconductivity in MXenes Type A1 Journal article
  Year 2020 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 12 Issue Pages 17354-17361  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract MXenes are an emerging class of two-dimensional materials, which in their thinnest limit consist of a monolayer of carbon or nitrogen (X) sandwiched between two transition metal (M) layers. We have systematically searched for superconductivity among MXenes for a range of transition metal elements, based on a full first-principles characterization in combination with the Eliashberg formalism. Thus, we identified six superconducting MXenes: three carbides (Mo2C, W2C and Sc2C) and three nitrides (Mo2N, W2N and Ta2N). The highest critical temperature of similar to 16 K is found in Mo2N, for which a successful synthesis method has been established [Urbankowskiet al.,Nanoscale, 2017,9, 17722-17730]. Moreover, W2N presents a novel case of competing superconducting and charge density wave phases.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000563481700017 Publication Date 2020-08-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.7 Times cited 15 Open Access  
  Notes ; This work is supported by The Scientific and Technological Research Council of Turkey (TUBITAK) under the contract number COST-118F187, the Air Force Office of Scientific Research under award number FA9550-19-1-7048, by Research Foundation-Flanders (FWO) and the University of Antwerp (BOF). The collaboration was fostered by COST action NANOCOHYBRI (CA16218). Computational resources were provided by the High Performance and Grid Computing Center (TRGrid e-Infrastructure) of TUBITAK ULAKBIM, the National Center for High Performance Computing (UHeM) of Istanbul Technical University, and by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI. J. B. acknowledges support of a postdoctoral fellowship of the FWO. ; Approved Most recent IF: 6.7; 2020 IF: 7.367  
  Call Number UA @ admin @ c:irua:171988 Serial 6521  
Permanent link to this record
 

 
Author Sozen, Y.; Eren, I.; Ozen, S.; Yagmurcukardes, M.; Sahin, H. pdf  url
doi  openurl
  Title Interaction of Ge with single layer GaAs : from Ge-island nucleation to formation of novel stable monolayers Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 505 Issue Pages 144218-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this study, reactivity of single-layer GaAs against Ge atoms is studied by means of ab initio density functional theory calculations. Firstly, it is shown that Ge atoms interact quite strongly with the GaAs layer which allows the formation of Ge islands while it hinders the growth of detached germanene monolayers. It is also predicted that adsorption of Ge atoms on GaAs single-layer lead to formation of two novel stable single-layer crystal structures, namely 1H-GaGeAs and 1H(A)-GaGeAs. Both the total energy optimizations and the calculated vibrational spectra indicate the dynamical stability of both single layer structures. Moreover, although both structures crystallize in 1H phase, 1H-GaGeAs and 1H(A)-GaGeAs exhibit distinctive vibrational features in their Raman spectra which is quite important for distinguishing the structures. In contrast to the semiconducting nature of single-layer GaAs, both polytypes of GaGeAs exhibit metallic behavior confirmed by the electronic band dispersions. Furthermore, the linear-elastic constants, in-plane stiffness and Poisson ratio, reveal the ultrasoft nature of the GaAs and GaGeAs structures and the rigidity of GaAs is found to be slightly enhanced via Ge adsorption. With their stable, ultra-thin and metallic properties, predicted single-layer GaGeAs structures can be promising candidates for nanoscale electronic and mechanical applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000510846500026 Publication Date 2019-11-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record  
  Impact Factor (down) 6.7 Times cited Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:167733 Serial 6548  
Permanent link to this record
 

 
Author Vishwakarma, M.; Agrawal, K.; Hadermann, J.; Mehta, B.R. pdf  url
doi  openurl
  Title Investigating the effect of sulphurization on volatility of compositions in Cu-poor and Sn-rich CZTS thin films Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 507 Issue Pages 145043  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In the present work, the Cu-poor and Sn-rich CZTS thin films were prepared in order to study the volatility of Sn with respect to other components. Thin film compositions were kept intentionally Sn-rich to understand the behaviour of loss and segregation of Sn during sulphurization. The homogeneous composition distribution in precursor thin films turns heterogeneous with a change in morphology after sulphurization. The inability of identifying nanoscale secondary phases in CZTS thin film by conventional analytical techniques such as XRD and Raman, can be fulfilled by employing HAADF-STEM analysis. XPS and HAADF-STEM analyses provide the quantification of nanoscale secondary phases across the thin film and surface, respectively. The volatility of Sn was revealed in the form of segregation in the middle layer of CZTS cross-sectional lamella rather than loss to annealing atmosphere. It was observed that among the cations of CZTS, Sn segregates more than Cu, while Zn segregates least. The nanoscale spurious phases were observed to vary across different regions in the sulphurized CZTS sample. The reactive annealing lead to grain growth and formation of grain boundary features in the CZTS thin films, where annealing significantly modifies the potential difference and band bending at grain boundaries with respect to intra-grains.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000520021200053 Publication Date 2019-12-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.7 Times cited 4 Open Access OpenAccess  
  Notes ; Authors acknowledges support provided by DST, India in the forms of InSOL project. We also acknowledge Dr. Indrani Mishra for XPS measurements and DST-FIST Raman facility for Raman measurements. Manoj Vishwakarma acknowledges IIT Delhi, New Delhi, India for MHRD fellowship. Prof. B.R. Mehta acknowledges the support of the Schlumberger chair professorship. ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:168603 Serial 6552  
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Author Baskurt, M.; Eren, I.; Yagmurcukardes, M.; Sahin, H. pdf  doi
openurl 
  Title Vanadium dopant- and strain-dependent magnetic properties of single-layer VI₃ Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 508 Issue Pages 144937-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by the recent synthesis of two-dimensional VI3 [Kong et al. Adv. Mater. 31, 1808074 (2019)], we investigate the effect of V doping on the magnetic and electronic properties of monolayer VI3 by means of first-principles calculations. The dynamically stable semiconducting ferromagnetic (FM) and antiferromagnetic (AFM) phases of monolayer VI3 are found to display distinctive vibrational features that the magnetic state can be distinguished by Raman spectroscopy. In order to clarify the effect of experimentally observed excessive V atoms, the magnetic and electronic properties of the V-doped VI3 structures are analyzed. Our findings indicate that partially doped VI3 structures display FM ground state while the fully-doped structure exhibits AFM ground state. The fully-doped monolayer VI3 is found to be a semiconductor with a relatively larger band gap than its pristine structure. In addition, strain-dependent electronic and magnetic properties of fully- and partially-doped VI3 structures reveal that pristine monolayer displays a FM-to-AFM phase transition with robust semiconducting nature for 5% of compressive strain, while fully-doped monolayer VI3 structure possesses AFM-to-FM semiconducting transition at tensile strains larger than 4%. In contrast, the partially-doped VI3 monolayers are found to display robust FM ground state under biaxial strain. Its dopant and strain tunable electronic and magnetic nature makes monolayer VI3 a promising material for applications in nanoscale spintronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000516818700040 Publication Date 2019-12-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.7 Times cited 10 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:168595 Serial 6652  
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Author Obeid, M.M.; Bafekry, A.; Rehman, S.U.; Nguyen, C., V. pdf  doi
openurl 
  Title A type-II GaSe/HfS₂ van der Waals heterostructure as promising photocatalyst with high carrier mobility Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 534 Issue Pages 147607  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this paper, the electronic, optical, and photocatalytic properties of GaSe/HfS2 heterostructure are studied via first-principles calculations. The stability of the vertically stacked heterobilayers is validated by the binding energy, phonon spectrum, and ab initio molecular dynamics simulation. The results reveal that the most stable GaSe/HfS2 heterobilayer retains a type-II alignment with an indirect bandgap 1.40 eV. As well, the results also show strong optical absorption intensity in the studied heterostructure (1.8 x 10(5) cm(-1)). The calculated hole mobility is 1376 cm(2) V-1 s(-1), while electron mobility reaches 911 cm(2) V-1 s(-1) along the armchair and zigzag directions. By applying an external electric field, the bandgap and band offset of the designed heterostructure can be effectively modified. Remarkably, a stronger external electric field can create nearly free electron states in the vicinity of the bottom of the conduction band, which induces indirect-to-direct bandgap transition as well as a semiconductor-to-metal transition. In contrast, the electronic properties of GaSe/HfS2 heterostructure are predicted to be insensitive to biaxial strain. The current work reveals that GaSe/HfS2 heterostructure is a promising candidate as a novel photocatalytic material for hydrogen generation in the visible range.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000582367700045 Publication Date 2020-08-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.7 Times cited 4 Open Access  
  Notes ; ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:174301 Serial 6682  
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Author Van Dijck, J.G.; Mampuys, P.; Ching, H.Y.V.; Krishnan, D.; Baert, K.; Hauffman, T.; Verbeeck, J.; Van Doorslaer, S.; Maes, B.U.W.; Dorbec, M.; Buekenhoudt, A.; Meynen, V. pdf  url
doi  openurl
  Title Synthesis – properties correlation and the unexpected role of the titania support on the Grignard surface modification Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 527 Issue Pages 146851-17  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract While the impact of reaction conditions on surface modification with Grignard reactants has been studied for silica supports, such information is absent for metal oxides like titania. Differences between modified titania and silica are observed, making it paramount to explore the reaction mechanism. A detailed study on the impact of the reaction conditions is reported, with a focus on the chain length of the alkyl Grignard reactant, its concentration, the reaction time and temperature, and the type of titania support. While the increase in the chain length reduces the amount of organic groups on the surface, the concentration, time and temperature show little/no influence on the modification degree. However, the type of titania support used and the percentage of amorphous phase present has a significant impact on the amount of grafted groups. Even though the temperature and concentration show no clear impact on the modification degree, they can cause changes in the surface hydroxyl population, which are thus not linked to the modification degree. Furthermore, the titania support is reduced during functionalization. This reduction dependents on the reaction temperature, the titania support and the chain length of the Grignard reactant. Similarly, this reduction is not linked to the modification degree.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000564205300003 Publication Date 2020-06-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.7 Times cited 5 Open Access OpenAccess  
  Notes ; The FWO (Fonds Wetenschappelijk Onderzoek) is gratefully acknowledged for the VITO-FWO grant of fellow Jeroen G. Van Dijck (11W9416N) and the financial support granted in project GO12712N. The E.U. is acknowledged for H.Y. Vincent Ching's H2020-MSCA-IF (grant number 792946, iSPY). Dileep Krishnan and Johan Verbeeck acknowledge funding from GOA project “solarpaint” of the University of Antwerp. ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:169722 Serial 6712  
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Author Yayak, Y.O.; Sozen, Y.; Tan, F.; Gungen, D.; Gao, Q.; Kang, J.; Yagmurcukardes, M.; Sahin, H. pdf  doi
openurl 
  Title First-principles investigation of structural, Raman and electronic characteristics of single layer Ge3N4 Type A1 Journal article
  Year 2022 Publication Applied surface science Abbreviated Journal Appl Surf Sci  
  Volume 572 Issue Pages 151361  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By means of density functional theory-based first-principle calculations, the structural, vibrational and electronic properties of single-layer Ge3N4 are investigated. Structural optimizations and phonon band dispersions reveal that single-layer ultrathin form of Ge3N4 possesses a dynamically stable buckled structure with large hexagonal holes. Predicted Raman spectrum of single-layer Ge3N4 indicates that the buckled holey structure of the material exhibits distinctive vibrational features. Electronic band dispersion calculations indicate the indirect band gap semiconducting nature of single-layer Ge3N4. It is also proposed that single-layer Ge3N4 forms type-II vertical heterostructures with various planar and puckered 2D materials except for single-layer GeSe which gives rise to a type-I band alignment. Moreover, the electronic properties of single-layer Ge3N4 are investigated under applied external in-plane strain. It is shown that while the indirect gap behavior of Ge3N4 is unchanged by the applied strain, the energy band gap increases (decreases) with tensile (compressive) strain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000723664000006 Publication Date 2021-10-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.7 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.7  
  Call Number UA @ admin @ c:irua:184752 Serial 6993  
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Author Fatermans, J.; Romolini, G.; Altantzis, T.; Hofkens, J.; Roeffaers, M.B.J.; Bals, S.; Van Aert, S. url  doi
openurl 
  Title Atomic-scale detection of individual lead clusters confined in Linde Type A zeolites Type A1 Journal article
  Year 2022 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume Issue Pages  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract Structural analysis of metal clusters confined in nanoporous materials is typically performed by X-ray-driven techniques. Although X-ray analysis has proved its strength in the characterization of metal clusters, it provides averaged structural information. Therefore, we here present an alternative workflow for bringing the characterization of confined metal clusters towards the local scale. This workflow is based on the combination of aberration-corrected transmission electron microscopy (TEM), TEM image simulations, and powder X-ray diffraction (XRD) with advanced statistical techniques. In this manner, we were able to characterize the clustering of Pb atoms in Linde Type A (LTA) zeolites with Pb loadings as low as 5 wt%. Moreover, individual Pb clusters could be directly detected. The proposed methodology thus enables a local-scale characterization of confined metal clusters in zeolites. This is important for further elucidation of the connection between the structure and the physicochemical properties of such systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000809619900001 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (down) 6.7 Times cited 2 Open Access OpenAccess  
  Notes The authors acknowledge the Research Foundation Flanders through project fundings (FWO, G026718N, G050218N, ZW15_09-G0H6316N, and W002221N) and through a PhD scholarship to G.R. (grant 11C6920N), as well as iBOF-21-085 PERSIST. T.A. and S.V.A. acknowledge funding from the University of Antwerp Research fund (BOF). J.H. acknowledges the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) and the MPI as MPI fellow. M.R. acknowledges funding by the KU Leuven Research Fund (C14/19/079). S.B. and S.V.A. acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128−REALNANO and No. 770887−PICOMETRICS). The authors thank Dr. D. Chernyshov for the collection of XRD measurements. Approved Most recent IF: 6.7  
  Call Number EMAT @ emat @c:irua:189061 Serial 7076  
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