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Author Zhao, H.J.; Misko, V.R.; Peeters, F.M.; Dubonos, G.; Oboznov, V.; Grigorieva, I.V.
  Title Vortex configurations in mesoscopic superconducting triangles: finite-size and shape effects Type A1 Journal article
  Year 2008 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
  Volume 83 Issue 1 Pages 17008,1-17008,6
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Triangular-shaped mesoscopic superconductors are consistent with the symmetry of the Abrikosov vortex lattice resulting in a high stability of vortex patterns for commensurate vorticities. However, for non-commensurate vorticities, vortex configurations in triangles are not compatible with the sample shape. Here we present the first direct observation of vortex configurations in ìm-sized niobium triangles using the Bitter decoration technique, and we analyze the vortex states in triangles by analytically solving the London equations and performing molecular-dynamics simulations. We found that filling rules with increasing vorticity can be formulated for triangles in a similar way as for mesoscopic disks where vortices form shells.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Paris Editor
  Language Wos 000259020300030 Publication Date 2008-06-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.957 Times cited 29 Open Access
  Notes Approved Most recent IF: 1.957; 2008 IF: 2.203
  Call Number UA @ lucian @ c:irua:76488 Serial 3863
Permanent link to this record
 

 
Author Chaves, A.; Mayers, M.Z.; Peeters, F.M.; Reichman, D.R.
  Title Theoretical investigation of electron-hole complexes in anisotropic two-dimensional materials Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 115314
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Trions and biexcitons in anisotropic two-dimensional materials are investigated within an effective mass theory. Explicit results are obtained for phosphorene and arsenene, materials that share features such as a direct quasiparticle gap and anisotropic conduction and valence bands. Trions are predicted to have remarkably high binding energies and an elongated electron-hole structure with a preference for alignment along the armchair direction, where the effective masses are lower. We find that biexciton binding energies are also notably large, especially for monolayer phosphorene, where they are found to be twice as large as those for typical monolayer transition metal dichalcogenides.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000372715700001 Publication Date 2016-03-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 33 Open Access
  Notes ; This work has been financially supported by CNPq, through the PRONEX/FUNCAP and Science Without Borders programs, the FWO-CNPq bilateral program between Brazil and Flanders, and the Lemann Foundation. M.Z.M. is supported by a fellowship from the National Science Foundation, under Grant No. DGE-11-44155. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:133191 Serial 4262
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Author Bai, J.; Wang, J.T.-W.; Rubio, N.; Protti, A.; Heidari, H.; Elgogary, R.; Southern, P.; Al-Jamal, W.' T.; Sosabowski, J.; Shah, A.M.; Bals, S.; Pankhurst, Q.A.; Al-Jamal, K.T.
  Title Triple-Modal Imaging of Magnetically-Targeted Nanocapsules in Solid TumoursIn Vivo Type A1 Journal article
  Year 2016 Publication Theranostics Abbreviated Journal Theranostics
  Volume 6 Issue 6 Pages 342-356
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (up) Triple-modal imaging magnetic nanocapsules, encapsulating hydrophobic superparamagnetic iron oxide nanoparticles, are formulated and used to magnetically target solid tumours after intravenous administration in tumour-bearing mice. The engineered magnetic polymeric nanocapsules m-NCs are ~200 nm in size with negative Zeta potential and shown to be spherical in shape. The loading efficiency of superparamagnetic iron oxide nanoparticles in the m-NC was ~100%. Up to ~3- and ~2.2-fold increase in tumour uptake at 1 and 24 h was achieved, when a static magnetic field was applied to the tumour for 1 hour. m-NCs, with multiple imaging probes (e.g. indocyanine green, superparamagnetic iron oxide nanoparticles and indium-111), were capable of triple-modal imaging (fluorescence/magnetic resonance/nuclear imaging) in vivo. Using triple-modal imaging is to overcome the intrinsic limitations of single modality imaging and provides complementary information on the spatial distribution of the nanocarrier within the tumour. The significant findings of this study could open up new research perspectives in using novel magnetically-responsive nanomaterials in magnetic-drug targeting combined with multi-modal imaging.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000377797200005 Publication Date 2015-12-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1838-7640 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.712 Times cited 54 Open Access OpenAccess
  Notes The authors would like to thank Prof Robert Hider (King's College London) for useful discussion on the chemical functionalization of the polymers, Mr William Luckhurst (King's College London) on the technical help of AFM measurements and Mr Andrew Cakebread (King's College London) on his technical help of ICP-MS measurements. J.B. acknowledges funding from King's-China Scholarship Council (CSC). J.W. and N.R. acknowledge funding from Biotechnology and Biological Sciences Research Council (BB/J008656/1) and Associated International Cancer Research (12-1054). K.T.AJ. acknowledges funding from EU FP7-ITN Marie-Curie Network programme RADDEL (290023). S.B. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 335078 COLOURATOMS, and the Integrated Infrastructure Initiative No. 262348 European Soft Matter Infrastructure, ESMI.; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:can); Approved Most recent IF: 8.712
  Call Number c:irua:130058 Serial 3995
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Author Rumyantseva, M.N.; Vladimirova, S.A.; Platonov, V.B.; Chizhov, A.S.; Batuk, M.; Hadermann, J.; Khmelevsky, N.O.; Gaskov, A.M.
  Title Sub-ppm H2S sensing by tubular ZnO-Co3O4 nanofibers Type A1 Journal article
  Year 2020 Publication Sensors And Actuators B-Chemical Abbreviated Journal Sensor Actuat B-Chem
  Volume 307 Issue Pages 127624
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (up) Tubular ZnO – Co3O4 nanofibers were co-electrospun from polymer solution containing zinc and cobalt acetates. Phase composition, cobalt electronic state and element distribution in the fibers were investigated by XRD, SEM, HRTEM, HAADF-STEM with EDX mapping, and XPS. Bare ZnO has high selective sensitivity to NO and NO2, while ZnO-Co3O4 composites demonstrate selective sensitivity to H2S in dry and humid air. This effect is discussed in terms of transformation of cobalt oxides into cobalt sulfides and change in the acidity of ZnO oxide surface upon cobalt doping. Reduction in response and recovery time is attributed to the formation of a tubular structure facilitating gas transport through the sensitive layer.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000508110400059 Publication Date 2019-12-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.401 Times cited Open Access Not_Open_Access
  Notes This work was supported by RFBR grants No. 18-03-00091 and No. 18-03-00580. Approved Most recent IF: NA
  Call Number EMAT @ emat @c:irua:166449 Serial 6343
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Author Zhang, R.; Wu, Z.; Li, X.J.; Li, L.L.; Chen, Q.; Li, Y.-M.; Peeters, F.M.
  Title Fano resonances in bilayer phosphorene nanoring Type A1 Journal article
  Year 2018 Publication Nanotechnology Abbreviated Journal Nanotechnology
  Volume 29 Issue 21 Pages 215202
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract (up) Tunable transport properties and Fano resonances are predicted in a circular bilayer phosphorene nanoring. The conductance exhibits Fano resonances with varying incident energy and applied perpendicular magnetic field. These Fano resonance peaks can be accurately fitted with the well known Fano curves. When a magnetic field is applied to the nanoring, the conductance oscillates periodically with magnetic field which is reminiscent of the Aharonov-Bohm effect. Fano resonances are tightly related to the discrete states in the central nanoring, some of which are tunable by the magnetic field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Bristol Editor
  Language Wos 000428920200001 Publication Date 2018-03-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.44 Times cited 4 Open Access
  Notes ; This work was supported by Grant No. 2017YFA0303400 from the National Key R&D Program of China, the Flemish Science Foundation, the grants No. 2016YFE0110000, No. 2015CB921503, and No. 2016YFA0202300 from the MOST of China, the NSFC (Grants Nos. 11504366, 11434010, 61674145 and 61774168) and CAS (Grants No. QYZDJ-SSW-SYS001). ; Approved Most recent IF: 3.44
  Call Number UA @ lucian @ c:irua:150713UA @ admin @ c:irua:150713 Serial 4968
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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 (up) 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.
  Address
  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 Krstajic, P.; Peeters, F.M.
  Title Spin-dependent tunneling in diluted magnetic semiconductor trilayer structures Type A1 Journal article
  Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 72 Issue 12 Pages 125350-125356
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Tunneling of holes through a trilayer structure made of two diluted magnetic semiconductors, (Ga,Mn)As, separated by a thin layer of nonmagnetic AlAs is investigated. The problem is treated within the 6x6 Luttinger-Kohn model for valence bands with the split-off band included. The influence of the spin-orbit coupling is pronounced as the spin-splitting Delta(ex) is comparable with the split-off Delta(SO) splitting. It is assumed that direct tunneling is the dominant mechanism due to the high quality of the tunnel junctions. Our theoretical results predict the correct order of magnitude for the tunneling magnetoresistance ratio, but various other effects, such as scattering on impurities and defects, should be included in order to realize a quantitative agreement with experiment.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000232229400116 Publication Date 2005-09-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 8 Open Access
  Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
  Call Number UA @ lucian @ c:irua:104068 Serial 3086
Permanent link to this record
 

 
Author Shirazi, M.; Neyts, E.C.; Bogaerts, A.
  Title DFT study of Ni-catalyzed plasma dry reforming of methane Type A1 Journal article
  Year 2017 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
  Volume 205 Issue 205 Pages 605-614
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract (up) tWe investigated the plasma-assisted catalytic reactions for the production of value-added chemicalsfrom Ni-catalyzed plasma dry reforming of methane by means of density functional theory (DFT). Weinspected many activation barriers, from the early stage of adsorption of the major chemical fragmentsderived fromCH4andCO2molecules up to the formation of value-added chemicals at the surface, focusingon the formation of methanol, as well as the hydrogenation of C1and C2hydrocarbon fragments. Theactivation barrier calculations show that the presence of surface-bound H atoms and in some cases alsoremaining chemical fragments at the surface facilitates the formation of products. This implies that thehydrogenation of a chemical fragment on the hydrogenated crystalline surface is energetically favouredcompared to the simple hydrogenation of the chemical fragment at the bare Ni(111) surface. Indeed, thepresence of hydrogen modifies the electronic structure of the surface and the course of the reactions.We therefore conclude that surface-bound H atoms, and to some extent also the remaining chemicalfragments at the crystalline surface, induce the following effects: they facilitate associative desorption ofmethanol and ethane by increasing the rate of H-transfer to the adsorbed fragments while they impedehydrogenation of ethylene to ethane, thus promoting again the desorption of ethylene. Overall, they thusfacilitate the catalytic conversion of the formed fragments from CH4and CO2, into value-added chemicals.Finally, we believe that the retention of methane fragments, especially CH3, in the presence of surface-boundHatoms (as observed here for Ni) can be regarded as an identifier for the proper choice of a catalystfor the production of value-added chemicals.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000393931000063 Publication Date 2017-01-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.446 Times cited 26 Open Access OpenAccess
  Notes Financial support from the Reactive Atmospheric Plasmaprocessing –eDucation network (RAPID), through the EU 7thFramework Programme (grant agreement no. 606889) is grate-fully acknowledged. The calculations were performed using theTuring HPC infrastructure at the CalcUA core facility of the Univer-siteit Antwerpen, a division of the Flemish Supercomputer CenterVSC, funded by the Hercules Foundation, the Flemish Approved Most recent IF: 9.446
  Call Number PLASMANT @ plasmant @ c:irua:139514 Serial 4343
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Author Neek-Amal, M.; Xu, P.; Qi, D.; Thibado, P.M.; Nyakiti, L.O.; Wheeler, V.D.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Peeters, F.M.
  Title Membrane amplitude and triaxial stress in twisted bilayer graphene deciphered using first-principles directed elasticity theory and scanning tunneling microscopy Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue 6 Pages 064101
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Twisted graphene layers produce a moire pattern (MP) structure with a predetermined wavelength for a given twist angle. However, predicting the membrane corrugation amplitude for any angle other than pure AB-stacked or AA-stacked graphene is impossible using first-principles density functional theory (DFT) due to the large supercell. Here, within elasticity theory, we define the MP structure as the minimum-energy configuration, thereby leaving the height amplitude as the only unknown parameter. The latter is determined from DFT calculations for AB-and AA-stacked bilayer graphene in order to eliminate all fitting parameters. Excellent agreement with scanning tunneling microscopy results across multiple substrates is reported as a function of twist angle.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000339995800001 Publication Date 2014-08-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 12 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoctoral Fellowship No. 299855. P.M.T. is thankful for the financial support of the Office of Naval Research under Grant No. N00014-10-1-0181 and the National Science Foundation under Grant No. DMR-0855358. L.O.N. acknowledges the support of the American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the US Naval Research Laboratory is supported by the Office of Naval Research. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:118774 Serial 1991
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Author Arsoski, V.; Tadić, M.; Peeters, F.M.
  Title Interband optical properties of concentric type-I nanorings in a normal magnetic field Type A1 Journal article
  Year 2010 Publication Acta physica Polonica: A: general physics, solid state physics, applied physics Abbreviated Journal Acta Phys Pol A
  Volume 117 Issue 5 Pages 733-737
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Two concentric two-dimensional GaAs/(Al,Ga)As nanorings in a normal magnetic field are theoretically studied. The single-band effective mass approximation is adopted for both the electron and the hole states, and the analytical solutions are given. We find that the electronic single particle states are arranged in pairs, which exhibit anticrossings and the orbital momentum transitions in the energy spectrum when magnetic field increases. Their period is essentially determined by the radius of the outer ring. The oscillator strength for interband transitions is strongly reduced close to each anticrossing. We show that an optical excitonic Aharonov-Bohm effect may occur in concentric nanorings.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Warszawa Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0587-4246 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 0.469 Times cited Open Access
  Notes Approved Most recent IF: 0.469; 2010 IF: 0.467
  Call Number UA @ lucian @ c:irua:83377 Serial 1690
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Author Buschmann, V.; Rodewald, M.; Fuess, H.; Van Tendeloo, G.; Schäffer, C.
  Title High resolution electron microscopy study of molecular beam epitaxy grown CoSi2/Si1-xGex/Si(100) heterostructurs Type A1 Journal article
  Year 1999 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 85 Issue 4 Pages 2119-2123
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (up) Two CoSi2/Si1-xGex/Si(100) heterostructures, with different Ge content, made by molecular beam epitaxy are characterized by high resolution electron microscopy. In general, the interface between the CoSi2 thin film and the Si1-xGex layer is of a high structural quality and the strained Si1-xGex layer exhibits few defects. For both samples, different interface structures are present, although the dominant interfacial configuration is similar to the unreconstructed interface present at the CoSi2/Si(100) interface. Only occasionally (2x1) reconstructed interface regions are found which are just a few nanometers in length. Phenomena such as Ge segregation and the introduction of defects are also observed in the Si1-xGex layer. We attribute the minimal presence of the reconstructed interface to both the (2x8):Si1-xGex(100) surface reconstruction and the Ge segregation that takes place. (C) 1999 American Institute of Physics. [S0021-8979(99)02104-0].
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
  Language Wos 000078403000017 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.068 Times cited 6 Open Access
  Notes Approved Most recent IF: 2.068; 1999 IF: 2.275
  Call Number UA @ lucian @ c:irua:103977 Serial 1455
Permanent link to this record
 

 
Author Liu, J.; Hu, Z.-Y.; Peng, Y.; Huang, H.-W.; Li, Y.; Wu, M.; Ke, X.-X.; Van Tendeloo, G.; Su, B.-L.
  Title 2D ZnO mesoporous single-crystal nanosheets with exposed {0001} polar facets for the depollution of cationic dye molecules by highly selective adsorption and photocatalytic decomposition Type A1 Journal article
  Year 2016 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
  Volume 181 Issue 181 Pages 138-145
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (up) Two dimensional (2D) ZnO nanosheets are ideal system for dimensionally confined transport phenomenon investigation owing to specific surface atomic configuration. Therefore, 2D ZnO porous nanosheets with single-crystal nature and {0001} polar facets, likely display some specific physicochemical properties. In this work, for the first time, 2D ZnO mesoporous single-crystal nanosheets (ZnO-MSN) with {0001} polar facets have been designed and prepared via an intriguing colloidal templating approach through controlling the infiltration speed for the suspension of EG-capped ZnO nanoparticles and polymer colloids. The EG-capped ZnO nanoparticles are very helpful for single-crystal nanosheet formation, while the polymer colloids play dual roles on the mesoporosity generation and {0001} polar facets formation within the mesopores. Such special 2D structure not only accelerates the hole-electron separation and the electron transportation owing to the single-crystal nature, but also enhances the selective adsorption of organic molecules owing to the porous structure and the exposed {0001} polar facets with more O-termination (000-1) surfaces: the 2D ZnO-MSN shows highly selective adsorption and significantly higher photodegradation for positively charged rhodamine B than those for negatively charged methyl orange and neutral phenol, comparing with ZnO nanoparticles (ZnO-NP) and ZnO commercial nanoparticles (ZnO-CNP) with high surface areas. This work may shed some light on better understanding the synthesis of 2D porous single-crystal nanosheet with exposed polar surfaces and photocatalytic mechanism of nanostructured semiconductors in a mixed organic molecules system.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000364256000015 Publication Date 2015-08-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0926-3373; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.446 Times cited 60 Open Access
  Notes 246791 Countatoms Approved Most recent IF: 9.446
  Call Number c:irua:127638 c:irua:127638 c:irua:127638 Serial 10
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Author Van Echelpoel, R.; Schram, J.; Parrilla, M.; Daems, D.; Slosse, A.; Van Durme, F.; De Wael, K.
  Title Electrochemical methods for on-site multidrug detection at festivals Type A1 Journal article
  Year 2022 Publication Sensors & Diagnostics Abbreviated Journal
  Volume 1 Issue 1 Pages 793-802
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract (up) Two electrochemical methodologies, i.e. flowchart and dual-sensor, were developed to aid law enforcement present at festivals to obtain a rapid indication of the presence of four illicit drugs in suspicious samples encountered.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2022-06-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:188521 Serial 8856
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Author Dekov, V.M.; Vanlierde, E.; Billström, K.; Gatto Rotondo, G.; van Meel, K.; Darchuk, L.; Van Grieken, R.; et al.
  Title Ferrihydrite precipitation in groundwater-fed river systems (Nete and Demer river basins, Belgium) : insights from a combined Fe-Zn-Sr-Nd-Pb-isotope study Type A1 Journal article
  Year 2014 Publication Chemical geology Abbreviated Journal
  Volume 386 Issue Pages 1-15
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract (up) Two groundwater-fed river systems (Nete and Demer, Belgium) carry red suspended material that settles on the river bed forming red sediments. The local aquifer that feeds these river systems is a glauconite-rich sand, which provides most of the dissolved Fe to the rivers. The solid component of these systems, i.e., the red suspended material and sediments, has a simple mineralogy (predominantly ferrihydrite), but shows a complex geochemistry pointing out the different processes contributing to the river chemistry: (1) the red sediments have higher transition metal (excluding Cu) and detrital element (e.g., Si, Al, K, Rb, etc.) concentrations than the red suspended matter because of their longer residence time in the river and higher contribution of the background (aquifer) component, respectively; (2) the red suspended material and sediments have inherited their rare earth element (REE) patterns from the aquifer; (3) the origin of Sr present in the red suspended matter and red sediments is predominantly marine (i.e., Quaternary calcareous rocks), but a small amount is geogenic (i.e., from detrital rocks); (4) Pb in both solids originates mostly from anthropogenic and geogenic sources; (5) all of the anthropogenic Pb in the red suspended material and sediments is hosted by the ferrihydrite; (6) Nd budget of the red riverine samples is controlled by the geogenic source and shows little anthropogenic component; (7) the significant Fe- and Zn-isotope fractionations are in line with the previous studies. Their fractionation patterns do not correlate, suggesting that the processes controlling the isotope geochemistry of Fe and Zn are different: oxidation/reduction most likely governs the Fe-isotope fractionation, whereas adsorption/desorption or admixing of anthropogenic sources controls the isotope fractionation of Zn.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000345441000001 Publication Date 2014-08-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2541 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:118323 Serial 7962
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Author Zakharova, E.Y.; Kazakov, S.M.; Isaeva, A.A.; Abakumov, A.M.; Van Tendeloo, G.; Kuznetsov, A.N.
  Title Pd5InSe and Pd8In2Se : new metal-rich homological selenides with 2D palladium-indium fragments : synthesis, structure and bonding Type A1 Journal article
  Year 2014 Publication Journal of alloys and compounds Abbreviated Journal J Alloy Compd
  Volume 589 Issue Pages 48-55
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract (up) Two new metal-rich palladium-indium selenides, Pd5InSe and Pd8In2Se, were synthesized using a high-temperature ampoule technique. Their crystal structures were determined from Rietveld analysis of powder diffraction data, supported by energy-dispersive X-ray spectroscopy and selected area electron diffraction. Both compounds crystallize in tetragonal system with P4/mmm space group (Pd5InSe: a = 4.0290(3) angstrom, c = 6.9858(5) angstrom, Z = 1; Pd8In2Se: a = 4.0045(4) angstrom, c = 10.952(1) angstrom, Z = 1). The first compound belongs to the Pd5TlAs structure type, while the second one – to a new structure type. Main structural units in both selenides are indium-centered [Pd12In] cuboctahedra of the tetragonally distorted Cu3Au type, single-and double-stacked along the c axis in Pd5InSe and Pd8In2Se, respectively, alternating with [Pd8Se] rectangular prisms. DFT electronic structure calculations predict both compounds to be 3D metallic conductors and Pauli-like paramagnets. According to the bonding analysis based on the electron localization function topology, both compounds feature multi-centered palladium-indium interactions in their heterometallic fragments. (C) 2013 Elsevier B. V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000330181400008 Publication Date 2013-12-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-8388; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.133 Times cited 12 Open Access
  Notes Approved Most recent IF: 3.133; 2014 IF: 2.999
  Call Number UA @ lucian @ c:irua:114840 Serial 3552
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Author Charkin, D.O.; Demchyna, R.; Prots, Y.; Borrmann, H.; Burkhardt, U.; Schwarz, U.; Schnelle, W.; Plokhikh, I.V.; Kazakov, S.M.; Abakumov, A.M.; Batuk, D.; Verchenko, V.Y.; Tsirlin, A.A.; Curfs, C.; Grin, Y.; Shevelkov, A.V.;
  Title Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety of the BaHg11 Structure Type A1 Journal article
  Year 2014 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 53 Issue 20 Pages 11173-11184
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (up) Two new ternary arsenides, namely, Eu7Cu44As23 and Sr7Cu44As23, were synthesized from elements at 800 degrees C. Their crystal structure represents a new filled version of the BaHg11 motif with cubic voids alternately occupied by Eu(Sr) and As atoms, resulting in a 2 x 2 x 2 superstructure of the aristotype: space group Fm (3) over barm, a = 16.6707(2) angstrom and 16.7467(2) angstrom, respectively. The Eu derivative exhibits ferromagnetic ordering below 17.5 K. In agreement with band structure calculations both compounds are metals, exhibiting relatively low thermopower, but high electrical and low thermal conductivity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000343527700049 Publication Date 2014-09-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited 9 Open Access
  Notes Approved Most recent IF: 4.857; 2014 IF: 4.762
  Call Number UA @ lucian @ c:irua:121141 Serial 3784
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Author Sheath, B.C.; Xu, X.; Manuel, P.; Hadermann, J.; Batuk, M.; O'Sullivan, J.; Bonilla, R.S.; Clarke, S.J.
  Title Structures and magnetic ordering in layered Cr oxide arsenides Sr₂CrO₂Cr₂OAs₂ and Sr₂CrO₃CrAs Type A1 Journal article
  Year 2022 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 61 Issue 31 Pages 10-12385
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (up) Two novel chromium oxide arsenide materials have been synthesized, Sr2CrO2Cr2OAs2 (i.e., Sr2Cr3As2O3) and Sr2CrO3CrAs (i.e., Sr2Cr2AsO3), both of which contain chromium ions in two distinct layers. Sr2CrO2Cr2OAs2 was targeted following electron microscopy measurements on a related phase. It crystallizes in the space group P4/mmm and accommodates distorted CrO4As2 octahedra containing Cr2+ and distorted CrO(2)As(4 )octahedra containing Cr3+. In contrast, Sr2CrO3CrAs incorporates Cr3+ in CrO5 square-pyramidal coordination in [Sr2CrO3](+) layers and Cr2+ ions in CrAs(4 )tetrahedra in [CrAs](-) layers and crystallizes in the space group P4/nmm. Powder neutron diffraction data reveal antiferromagnetic ordering in both compounds. In Sr2CrO3CrAs the Cr2+ moments in the [CrAs](-) layers exhibit long-range ordering, while the Cr3+ moments in the [Sr2CrO3](+) layers only exhibit short-range ordering. However, in Sr2CrO2Cr2OAs2, both the Cr(2+ )moments in the CrO4As2 environments and the Cr3+ moments in the CrO2As4 polyhedra are long-range-ordered below 530(10) K. Above this temperature, only the Cr3+ moments are ordered with a Neel temperature slightly in excess of 600 K. A subtle structural change is evident in Sr2CrO2Cr2OAs2 below the magnetic ordering transitions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000841943600001 Publication Date 2022-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.6 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.6
  Call Number UA @ admin @ c:irua:190007 Serial 7215
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Author Gvozdetskyi, V.; Bhaskar, G.; Batuk, M.; Zhao, X.; Wang, R.; Carnahan, S.L.; Hanrahan, M.P.; Ribeiro, R.A.; Canfield, P.C.; Rossini, A.J.; Wang, C.-Z.; Ho, K.-M.; Hadermann, J.; Zaikina, J.V.
  Title Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs Type A1 Journal article
  Year 2019 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
  Volume 58 Issue 44 Pages 15855-15862
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (up) Two novel lithium nickel boride polymorphs RT-LiNiB and HT-LiNiB with layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized via a hydride route with LiH precursor as a lithium source. Being unique among the known ternary transition metal borides, the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers, composed of Ni hexagonal rings centered by B-B pairs. A comprehensive study using a combination of single crystal/synchrotron powder X-ray diffraction data, solid-state 7Li and 11B NMR, scanning transmission electron microscopy, quantum chemistry calculations, and magnetism has shed light on the intrinsic features of these polymorphic compounds. The unique layered structures of LiNiB compounds make them ultimate precursors to further study their exfoliation, paving a way toward two-dimensional transition metal borides, MBenes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000491219600038 Publication Date 2019-10-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1433-7851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 11.994 Times cited Open Access
  Notes the Gordon and Betty Moore Foundation’s EPiQS Initiative through Grant GBMF4411. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract #DE-AC02-07CH11358. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Approved Most recent IF: 11.994
  Call Number EMAT @ emat @c:irua:164752 Serial 5433
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Author Kim, E.; Roosen, J.; Horckmans, L.; Spooren, J.; Broos, K.; Binnemans, K.; Vrancken, K.C.M.; Quaghebeur, M.
  Title Process development for hydrometallurgical recovery of valuable metals from sulfide-rich residue generated in a secondary lead smelter Type A1 Journal article
  Year 2017 Publication Hydrometallurgy Abbreviated Journal
  Volume 169 Issue Pages 589-598
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract (up) Two routes were investigated to selectively recover lead and minor metals (Cu, Ni, Zn) from a sulfide-rich lead smelter residue, matte. The first route comprises a two-step leaching process that combines Fe(III)-HNO3 leaching with roasting, followed by water leaching. In the first step, the efficiency of Pb leaching was 90% at the optimum condition (L/S ratio 8, 0.5 mol.L-1 HNO3, 0.15 mol.L-1 Fe(III), 25 degrees C). In the second step, roasting at 600 degrees C followed by water leaching at 50 degrees C selectively leached Ni, Cu, and Zn while fully converting iron sulfides to oxides. One-step oxidative pressure leaching in HNO3 was investigated as an alternative to simultaneously leach Pb, Cu, Ni and Zn. At the optimal conditions (130 degrees C, 60 min, 0.3 mol.L-1 HNO3, 0.07 mol.L-1 Fe(III), L/S ratio 20), Pb, Cu, Zn and Ni leaching were 92, 60, 70 and 66%, respectively, while Fe leaching remained low (2%). The leachates obtained from both leaching routes were treated by ion-exchange adsorption with diethylenetriaminepentaacetic acid (DTPA) functionalized chitosan-silica hybrid materials to investigate the selective recovery of Cu, Zn and Ni. The adsorption order appeared to be in the same order as the corresponding stability constants for complexes between the respective metal ions and free DTPA: Ca(II) < Zn(II) < Pb (II) approximate to Ni(II) < Cu(II). This allows not only to selectively recover Cu, Zn and Ni from the leachates, but also to mutually separate them by using the functionalized resin as a stationary phase in column chromatography. To avoid adsorbent contamination, Fe(III) and Pb(II) may be removed from the leachates in a pre-treatment step. Based on these results, the investigated methods can be combined as process steps of two possible routes for the selective recovery of valuable metals from the studied secondary lead smelting residue. The two-step leaching process seems to be superior since a more concentrated solution of Cu, Ni, and Zn is produced in the 2nd leaching step with low capital cost.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000401878200070 Publication Date 2017-04-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-386x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:144300 Serial 8414
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Author Alejo, ellys; Morales, M.C.; Nuñez, V.; Bencs, L.; Van Grieken, R.; van Espen, P.
  Title Monitoring of tropospheric ozone in the ambient air with passive samplers Type A1 Journal article
  Year 2011 Publication Microchemical journal Abbreviated Journal
  Volume 99 Issue 2 Pages 383-387
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract (up) Two sampling campaigns in suburban places in the north zone of Santa Clara city, Cuba, have been carried out on a weekly base with the use of Radiello passive diffusion tubes in order to monitor the tropospheric ozone (O3) levels in 2010. The first campaign was scheduled from February to April (cold season) and the second one in August and October (warm season), both of them at two sampling sites, i.e., Farm and School of Art Instructors. After aqueous extraction, the samples were analyzed by UVVIS spectrophotometry. A seasonal trend was observed with the maximum O3 concentrations in the cold season and the minimum levels in the warm season. Samples collected during the cold season showed the highest O3 levels. Higher levels were reached at the Farm site with average values of about 58 ± 12 μg/m3, which exceeded the limit of the Cuban Standard 99:1999. In the warm season, the O3 concentrations were similar for both sites, but lower than those observed in the cold season. The overall, seasonal average value was found to be 24 μg/m3. Despite the higher weekly average temperatures in August, the O3 concentrations during this month showed the lowest values of the whole sampling period, which finding is in agreement with that reported by the Meteorological Institute of Cuba. Mathematical models, based on the Cochrane-Orcutt algorithm, were fitted to the acquired data set to explain the change in the tropospheric ozone concentrations under various meteorological conditions during the two campaigns. The correlation coefficients for both the cold and the warm seasons demonstrated a strong correlation, i.e., 0.779 and 0.951, respectively. The high correlation of wind speed in the model from the first sampling campaign explains the sharp decrease in O3 concentrations at the SAI sampling site from the sixth week of sampling.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000295770700034 Publication Date 2011-06-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:93294 Serial 8277
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Author van der Snickt, G.; Martins, A.; Delaney, J.; Janssens, K.; Zeibel, J.; Duffy, M.; McGlinchey, C.; Van Driel, B.; Dik, J.
  Title Exploring a hidden painting below the surface of Rene Magritte's Le Portrait Type A1 Journal article
  Year 2016 Publication Applied spectroscopy Abbreviated Journal Appl Spectrosc
  Volume 70 Issue 1 Pages 57-67
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract (up) Two state-of-the-art methods for non-invasive visualization of subsurface (or overpainted) pictorial layers present in painted works of art are employed to study Le portrait, painted by Belgian artist Rene Magritte in 1935. X-ray radiography, a commonly used method for the nondestructive inspection of paintings, had revealed the presence of an underlying figurative composition, part of an earlier Magritte painting entitled La pose enchantee (1927) which originally depicted two full length nude female figures with exaggerated facial features. On the one hand, macroscopic X-ray fluorescence analysis (MA-XRF), a method capable of providing information on the distribution of the key chemical elements present in many artists' pigments, was employed. The ability of the X-rays to penetrate the upper layer of paint enabled the imaging of the facial features of the female figure and provided information on Magritte's palette for both surface and hidden composition. On the other hand, visible and near infrared hyperspectral imaging spectroscopies in transmission mode were also used, especially in the area of the table cloth in order to look through the upper representation and reveal the pictorial layer(s) below. MA-XRF provided elemental information on the pigment distributions in both the final painting and the prior whereas the transmission mode provided information related to preparatory sketches as well as revealing differences between the paints used in both compositions. These results illustrate very well the manner in which the two imaging methods complement each other, both in the sense of providing different types of information on the nature and presence of paint components/pigments and in the sense of being optimally suited to easily penetrate through different types of overpaint.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000368604500007 Publication Date 2016-01-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-7028 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.529 Times cited 13 Open Access
  Notes ; GvdS and KJ acknowledge the support of the Fund Inbev-Baillet Latour. JKD acknowledges support from the Andrew Mellon Foundation and the National Science Foundation. BvD and JD acknowledge support from The Netherlands Organisation for Scientific Research (NWO). ; Approved Most recent IF: 1.529
  Call Number UA @ admin @ c:irua:131544 Serial 5620
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Author Li, L.; Kong, X.; Peeters, F.M.
  Title New nanoporous graphyne monolayer as nodal line semimetal : double Dirac points with an ultrahigh Fermi velocity Type A1 Journal article
  Year 2019 Publication Carbon Abbreviated Journal Carbon
  Volume 141 Issue 141 Pages 712-718
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Two-dimensional (2D) carbon materials play an important role in nanomaterials. We propose a new carbon monolayer, named hexagonal-4,4,4-graphyne (H-4,H-4,H-4-graphyne), which is a nanoporous structure composed of rectangular carbon rings and triple bonds of carbon. Using first-principles calculations, we systematically studied the structure, stability, and band structure of this new material. We found that its total energy is lower than that of experimentally synthesized beta-graphdiyne and it is stable at least up to 1500 K. In contrast to the single Dirac point band structure of other 2D carbon monolayers, the band structure of H-4,H-4,H-4-graphyne exhibits double Dirac points along the high-symmetry points and the corresponding Fermi velocities (1.04-1.27 x 10(6) m/s) are asymmetric and higher than that of graphene. The origin of these double Dirac points is traced back to the nodal line states, which can be well explained by a tight-binding model. The H-4,H-4,H-4-graphyne forms a moire superstructure when placed on top of a hexagonal boron nitride substrate. These properties make H-4,H-4,H-4-graphyne a promising semimetal material for applications in high-speed electronic devices. (C) 2018 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000450312600072 Publication Date 2018-10-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.337 Times cited 43 Open Access
  Notes ; This work was supported by the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl), and the FLAG-ERA project TRANS2DTMD. 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. ; Approved Most recent IF: 6.337
  Call Number UA @ admin @ c:irua:155364 Serial 5222
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Author Li, L.; Kong, X.; Leenaerts, O.; Chen, X.; Sanyal, B.; Peeters, F.M.
  Title Carbon-rich carbon nitride monolayers with Dirac cones : Dumbbell C4N Type A1 Journal article
  Year 2017 Publication Carbon Abbreviated Journal Carbon
  Volume 118 Issue 118 Pages 285-290
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Two-dimensional (2D) carbon nitride materials play an important role in energy-harvesting, energy-storage and environmental applications. Recently, a new carbon nitride, 2D polyaniline (C3N) was proposed [PNAS 113 (2016) 7414-7419]. Based on the structure model of this C3N monolayer, we propose two new carbon nitride monolayers, named dumbbell (DB) C4N-I and C4N-II. Using first-principles calculations, we systematically study the structure, stability, and band structure of these two materials. In contrast to other carbon nitride monolayers, the orbital hybridization of the C/N atoms in the DB C4N monolayers is sp(3). Remarkably, the band structures of the two DB C4N monolayers have a Dirac cone at the K point and their Fermi velocities (2.6/2.4 x 10(5) m/s) are comparable to that of graphene. This makes them promising materials for applications in high-speed electronic devices. Using a tight-binding model, we explain the origin of the Dirac cone. (C) 2017 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000401120800033 Publication Date 2017-03-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.337 Times cited 36 Open Access
  Notes Approved Most recent IF: 6.337
  Call Number UA @ lucian @ c:irua:143726 Serial 4588
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Author Soenen, M.; Milošević, M.V.
  Title Tunable magnon topology in monolayer CrI₃ under external stimuli Type A1 Journal article
  Year 2023 Publication Physical review materials Abbreviated Journal
  Volume 7 Issue 8 Pages 084402-84409
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Two-dimensional (2D) honeycomb ferromagnets, such as monolayer chromium trihalides, are predicted to behave as topological magnon insulators, characterized by an insulating bulk and topologically protected edge states, giving rise to a thermal magnon Hall effect. Here we report the behavior of the topological magnons in monolayer CrI3 under external stimuli, including biaxial and uniaxial strain, electric gating, as well as in-plane and out-of-plane magnetic field, revealing that one can thereby tailor the magnetic states as well as the size and the topology of the magnonic bandgap. These findings broaden the perspective of using 2D magnetic materials to design topological magnonic devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001052941600003 Publication Date 2023-08-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.4 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.4; 2023 IF: NA
  Call Number UA @ admin @ c:irua:199201 Serial 8947
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Author Yagmurcukardes, M.; Qin, Y.; Ozen, S.; Sayyad, M.; Peeters, F.M.; Tongay, S.; Sahin, H.
  Title Quantum properties and applications of 2D Janus crystals and their superlattices Type A1 Journal article
  Year 2020 Publication Applied Physics Reviews Abbreviated Journal Appl Phys Rev
  Volume 7 Issue 1 Pages 011311-11316
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Two-dimensional (2D) Janus materials are a new class of materials with unique physical, chemical, and quantum properties. The name “Janus” originates from the ancient Roman god which has two faces, one looking to the future while the other facing the past. Janus has been used to describe special types of materials which have two faces at the nanoscale. This unique atomic arrangement has been shown to present rather exotic properties with applications in biology, chemistry, energy conversion, and quantum sciences. This review article aims to offer a comprehensive review of the emergent quantum properties of Janus materials. The review starts by introducing 0D Janus nanoparticles and 1D Janus nanotubes, and highlights their difference from classical ones. The design principles, synthesis, and the properties of graphene-based and chalcogenide-based Janus layers are then discussed. A particular emphasis is given to colossal built-in potential in 2D Janus layers and resulting quantum phenomena such as Rashba splitting, skyrmionics, excitonics, and 2D magnetic ordering. More recent theoretical predictions are discussed in 2D Janus superlattices when Janus layers are stacked onto each other. Finally, we discuss the tunable quantum properties and newly predicted 2D Janus layers waiting to be experimentally realized. The review serves as a complete summary of the 2D Janus library and predicted quantum properties in 2D Janus layers and their superlattices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000519611500001 Publication Date 2020-02-21
  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 15 Times cited 158 Open Access
  Notes ; S.T. acknowledges support from NSF Contract Nos. DMR 1552220, DMR 1904716, and NSF CMMI 1933214. H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 117F095. H.S. acknowledges support from the Turkish Academy of Sciences under the GEBIP program. M.Y. is supported by the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. Part of this work was supported by the FLAG-ERA project TRANS2D-TMD. ; Approved Most recent IF: 15; 2020 IF: 13.667
  Call Number UA @ admin @ c:irua:167712 Serial 6591
Permanent link to this record
 

 
Author Yan, X.F.; Chen, Q.; Li, L.L.; Guo, H.Z.; Peng, J.Z.; Peeters, F.M.
  Title High performance piezotronic spin transistors using molybdenum disulfide nanoribbon Type A1 Journal article
  Year 2020 Publication Nano Energy Abbreviated Journal Nano Energy
  Volume 75 Issue Pages 104953
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract (up) Two-dimensional (2D) materials are promising candidates for atomic-scale piezotronics and piezophototronics. Quantum edge states show fascinating fundamental physics such as nontrivial topological behavior and hold promising practical applications for low-power electronic devices. Here, using the tight-binding approach and quantum transport simulations, we investigate the piezotronic effect on the spin polarization of edge states in a zigzag-terminated monolayer MoS2 nanoribbon. We find that the strain-induced piezoelectric potential induces a phase transition of edge states from metal to semiconductor. However, in the presence of exchange field, edge states become semi-metallic with significant spin splitting and polarization that can be tuned by external strain. We show that quantum transport conductance exhibits a 100% spin polarization over a wide range of strain magnitudes. This effect is used in a propose prototype of piezotronic spin transistor. Our results provide a fundamental understanding of the piezotronic effect on edge states in zigzag monolayer MoS2 nanoribbons and are relevant for designing high-performance piezotronic spin devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000560729200011 Publication Date 2020-05-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2211-2855 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 17.6 Times cited 20 Open Access
  Notes ; This work was supported by Hunan Provincial Natural Science Foundation of China (Nos. 2015JJ2040, 2018JJ2078), Scientific Research Fund of Hunan Provincial Education Department (19A106), and the Funeral Service Foundation (FWO-VI). ; Approved Most recent IF: 17.6; 2020 IF: 12.343
  Call Number UA @ admin @ c:irua:171123 Serial 6535
Permanent link to this record
 

 
Author Çakir, D.; Kecik, D.; Sahin, H.; Durgun, E.; Peeters, F.M.
  Title Realization of a p-n junction in a single layer boron-phosphide Type A1 Journal article
  Year 2015 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 17 Issue 17 Pages 13013-13020
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Two-dimensional (2D) materials have attracted growing interest due to their potential use in the next generation of nanoelectronic and optoelectronic applications. On the basis of first-principles calculations based on density functional theory, we first investigate the electronic and mechanical properties of single layer boron phosphide (h-BP). Our calculations show that h-BP is a mechanically stable 2D material with a direct band gap of 0.9 eV at the K-point, promising for both electronic and optoelectronic applications. We next investigate the electron transport properties of a p-n junction constructed from single layer boron phosphide (h-BP) using the non-equilibrium Green's function formalism. The n-and p-type doping of BP are achieved by substitutional doping of B with C and P with Si, respectively. C(Si) substitutional doping creates donor (acceptor) states close to the conduction (valence) band edge of BP, which are essential to construct an efficient p-n junction. By modifying the structure and doping concentration, it is possible to tune the electronic and transport properties of the p-n junction which exhibits not only diode characteristics with a large current rectification but also negative differential resistance (NDR). The degree of NDR can be easily tuned via device engineering.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000354195300065 Publication Date 2015-04-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 104 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government and the Bilateral program FWO-TUBITAK (under the Project No. 113T050) between Flanders and Turkey. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid 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. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. H.S. is supported by a FWO Pegasus Marie Curie-long Fellowship. E.D. acknowledges support from Bilim Akademisi – The Science Academy, Turkey under the BAGEP program. ; Approved Most recent IF: 4.123; 2015 IF: 4.493
  Call Number c:irua:126394 Serial 2835
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Author Zalalutdinov, M.K.; Robinson, J.T.; Fonseca, J.J.; LaGasse, S.W.; Pandey, T.; Lindsay, L.R.; Reinecke, T.L.; Photiadis, D.M.; Culbertson, J.C.; Cress, C.D.; Houston, B.H.
  Title Acoustic cavities in 2D heterostructures Type A1 Journal article
  Year 2021 Publication Nature Communications Abbreviated Journal Nat Commun
  Volume 12 Issue 1 Pages 3267
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract (up) Two-dimensional (2D) materials offer unique opportunities in engineering the ultrafast spatiotemporal response of composite nanomechanical structures. In this work, we report on high frequency, high quality factor (Q) 2D acoustic cavities operating in the 50-600GHz frequency (f) range with f x Q up to 1 x 10(14). Monolayer steps and material interfaces expand cavity functionality, as demonstrated by building adjacent cavities that are isolated or strongly-coupled, as well as a frequency comb generator in MoS2/h-BN systems. Energy dissipation measurements in 2D cavities are compared with attenuation derived from phonon-phonon scattering rates calculated using a fully microscopic ab initio approach. Phonon lifetime calculations extended to low frequencies (<1THz) and combined with sound propagation analysis in ultrathin plates provide a framework for designing acoustic cavities that approach their fundamental performance limit. These results provide a pathway for developing platforms employing phonon-based signal processing and for exploring the quantum nature of phonons. Here, authors report on acoustic cavities in 2D materials operating in the 50-600GHz range and show that quality factors approach the limit set by lattice anharmonicity. Functionality expanded by heterogeneities (steps and interfaces) is demonstrated through coupled cavities and frequency comb generation.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000660772400004 Publication Date 2021-06-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.124 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 12.124
  Call Number UA @ admin @ c:irua:179597 Serial 6968
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Author Tang, C.S.; Zeng, S.; Wu, J.; Chen, S.; Naradipa, M.A.; Song, D.; Milošević, M.V.; Yang, P.; Diao, C.; Zhou, J.; Pennycook, S.J.; Breese, M.B.H.; Cai, C.; Venkatesan, T.; Ariando, A.; Yang, M.; Wee, A.T.S.; Yin, X.
  Title Detection of two-dimensional small polarons at oxide interfaces by optical spectroscopy Type A1 Journal article
  Year 2023 Publication Applied physics reviews Abbreviated Journal
  Volume 10 Issue 3 Pages 031406-31409
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Two-dimensional (2D) perovskite oxide interfaces are ideal systems to uncover diverse emergent properties, such as the arising polaronic properties from short-range charge-lattice interactions. Thus, a technique to detect this quasiparticle phenomenon at the buried interface is highly coveted. Here, we report the observation of 2D small-polarons at the LaAlO3/SrTiO3 conducting interface using high-resolution spectroscopic ellipsometry. First-principles investigations show that interfacial electron-lattice coupling mediated by the longitudinal phonon mode facilitates the formation of these polarons. This study resolves the long-standing question by attributing the formation of interfacial 2D small polarons to the significant mismatch between experimentally measured interfacial carrier density and theoretical values. Our study sheds light on the complexity of broken periodic lattice-induced quasi-particle effects and its relationship with exotic phenomena at complex oxide interfaces. Meanwhile, this work establishes spectroscopic ellipsometry as a useful technique to detect and locate optical evidence of polaronic states and other emerging quantum properties at the buried interface.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001038283300001 Publication Date 2023-09-06
  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 15 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 15; 2023 IF: 13.667
  Call Number UA @ admin @ c:irua:198433 Serial 8847
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Author Duran, T.A.; Yayak, Y.O.; Aydin, H.; Peeters, F.M.; Yagmurcukardes, M.
  Title A perspective on the state-of-the-art functionalized 2D materials Type A1 Journal article
  Year 2023 Publication Journal of applied physics Abbreviated Journal
  Volume 134 Issue 12 Pages 120901-120929
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract (up) Two-dimensional (2D) ultra-thin materials are more crucial than their bulk counterparts for the covalent functionalization of their surface owing to atomic thinness, large surface-to-volume ratio, and high reactivity of surface atoms having unoccupied orbitals. Since the surface of a 2D material is composed of atoms having unoccupied orbitals, covalent functionalization enables one to improve or precisely modify the properties of the ultra-thin materials. Chemical functionalization of 2D materials not only modifies their intrinsic properties but also makes them adapted for nanotechnology applications. Such engineered materials have been used in many different applications with their improved properties. In the present Perspective, we begin with a brief history of functionalization followed by the introduction of functionalized 2D materials. Our Perspective is composed of the following sections: the applications areas of 2D graphene and graphene oxide crystals, transition metal dichalcogenides, and in-plane anisotropic black phosphorus, all of which have been widely used in different nanotechnology applications. Finally, our Perspectives on the future directions of applications of functionalized 2D materials are given. The present Perspective sheds light on the current progress in nanotechnological applications of engineered 2D materials through surface functionalization.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001087770500008 Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.2 Times cited Open Access
  Notes Approved Most recent IF: 3.2; 2023 IF: 2.068
  Call Number UA @ admin @ c:irua:201281 Serial 9000
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