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Author Su, Y.; Prestat, E.; Hu, C.; Puthiyapura, V.K.; Neek-Amal, M.; Xiao, H.; Huang, K.; Kravets, V.G.; Haigh, S.J.; Hardacre, C.; Peeters, F.M.; Nair, R.R. pdf  doi
openurl 
  Title Self-limiting growth of two-dimensional palladium between graphene oxide layers Type A1 Journal article
  Year 2019 Publication Nano letters Abbreviated Journal (down) Nano Lett  
  Volume 19 Issue 7 Pages 4678-4683  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The ability of different materials to display self-limiting growth has recently attracted an enormous amount of attention because of the importance of nanoscale materials in applications for catalysis, energy conversion, (opto)-electronics, and so forth. Here, we show that the electrochemical deposition of palladium (Pd) between graphene oxide (GO) sheets result in the self-limiting growth of 5-nm-thick Pd nanosheets. The self-limiting growth is found to be a consequence of the strong interaction of Pd with the confining GO sheets, which results in the bulk growth of Pd being energetically unfavorable for larger thicknesses. Furthermore, we have successfully carried out liquid exfoliation of the resulting Pd-GO laminates to isolate Pd nanosheets and have demonstrated their high efficiency in continuous flow catalysis and electrocatalysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000475533900060 Publication Date 2019-06-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 17 Open Access  
  Notes ; This work was supported by the Royal Society, Engineering and Physical Sciences Research Council, U.K. (EP/S019367/1, EP/P025021/1, EP/K016946/1, and EP/ P009050/1), Graphene Flagship, and European Research Council (contract 679689 and EvoluTEM). We thank Dr. Sheng Zheng and Dr. K. S. Vasu at the University of Manchester for assisting us with sample preparation and characterization. The authors acknowledge the use of the facilities at the Henry Royce Institute for Advanced Materials and associated support services. V.K.P. and C.H. are grateful for the resources and support provided via membership in the UK Catalysis Hub Consortium and funding by EPSRC (Portfolio grants EP/K014706/2, EP/K014668/1, EP/K014854/1, EP/K014714/1, and EP/I019693/1). F.M.P. and M.N.-A. acknowledge the support from the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 12.712  
  Call Number UA @ admin @ c:irua:161245 Serial 5426  
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Author Sreepal, V.; Yagmurcukardes, M.; Vasu, K.S.; Kelly, D.J.; Taylor, S.F.R.; Kravets, V.G.; Kudrynskyi, Z.; Kovalyuk, Z.D.; Patane, A.; Grigorenko, A.N.; Haigh, S.J.; Hardacre, C.; Eaves, L.; Sahin, H.; Geim, A.K.; Peeters, F.M.; Nair, R.R. url  doi
openurl 
  Title Two-dimensional covalent crystals by chemical conversion of thin van der Waals materials Type A1 Journal article
  Year 2019 Publication Nano letters Abbreviated Journal (down) Nano Lett  
  Volume 19 Issue 9 Pages 6475-6481  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Most of the studied two-dimensional (2D) materials have been obtained by exfoliation of van der Waals crystals. Recently, there has been growing interest in fabricating synthetic 2D crystals which have no layered bulk analogues. These efforts have been focused mainly on the surface growth of molecules in high vacuum. Here, we report an approach to making 2D crystals of covalent solids by chemical conversion of van der Waals layers. As an example, we used 2D indium selenide (InSe) obtained by exfoliation and converted it by direct fluorination into indium fluoride (InF3), which has a nonlayered, rhombohedral structure and therefore cannot possibly be obtained by exfoliation. The conversion of InSe into InF3 is found to be feasible for thicknesses down to three layers of InSe, and the obtained stable InF3 layers are doped with selenium. We study this new 2D material by optical, electron transport, and Raman measurements and show that it is a semiconductor with a direct bandgap of 2.2 eV, exhibiting high optical transparency across the visible and infrared spectral ranges. We also demonstrate the scalability of our approach by chemical conversion of large-area, thin InSe laminates obtained by liquid exfoliation, into InF3 films. The concept of chemical conversion of cleavable thin van der Waals crystals into covalently bonded noncleavable ones opens exciting prospects for synthesizing a wide variety of novel atomically thin covalent crystals.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000486361900083 Publication Date 2019-08-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 32 Open Access  
  Notes ; This work was supported by the Royal Society, the European Research Council (contract 679689 and EvoluTEM 715502), and Engineering and Physical Sciences Research Council, U.K. (EP/N013670/1), The authors acknowledge the use of the facilities at the Henry Royce Institute for Advanced Materials and associated support services. H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 117F095. M.Y. acknowledges the Flemish Science Foundation (FWO-Vl) for a postdoctoral fellowship. S.J.H. and D.J.K. acknowledge support from EPSRC (EP/P009050/1) and the NowNANO CDT. ; Approved Most recent IF: 12.712  
  Call Number UA @ admin @ c:irua:162818 Serial 5431  
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Author Andelkovic, M.; Milovanović, S.P.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Double moiré with a twist : supermoiré in encapsulated graphene Type A1 Journal article
  Year 2020 Publication Nano Letters Abbreviated Journal (down) Nano Lett  
  Volume 20 Issue 2 Pages 979  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract A periodic spatial modulation, as created by a moire pattern, has been extensively studied with the view to engineer and tune the properties of graphene. Graphene encapsulated by hexagonal boron nitride (hBN) when slightly misaligned with the top and bottom hBN layers experiences two interfering moire patterns, resulting in a so-called supermoire (SM). This leads to a lattice and electronic spectrum reconstruction. A geometrical construction of the nonrelaxed SM patterns allows us to indicate qualitatively the induced changes in the electronic properties and to locate the SM features in the density of states and in the conductivity. To emphasize the effect of lattice relaxation, we report band gaps at all Dirac-like points in the hole doped part of the reconstructed spectrum, which are expected to be enhanced when including interaction effects. Our result is able to distinguish effects due to lattice relaxation and due to the interfering SM and provides a clear picture on the origin of recently experimentally observed effects in such trilayer heterostuctures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000514255400021 Publication Date 2020-01-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.8 Times cited 48 Open Access OpenAccess  
  Notes ; This work was funded by FLAGERA project TRANS2DTMD and the Flemish Science Foundation (FWO-Vl) through a postdoc fellowship for S.P.M. The authors acknowledge useful discussions with W. Zihao and K. Novoselov. ; Approved Most recent IF: 10.8; 2020 IF: 12.712  
  Call Number UA @ admin @ c:irua:168685 Serial 6490  
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Author Bekaert, J.; Khestanova, E.; Hopkinson, D.G.; Birkbeck, J.; Clark, N.; Zhu, M.; Bandurin, D.A.; Gorbachev, R.; Fairclough, S.; Zou, Y.; Hamer, M.; Terry, D.J.; Peters, J.J.P.; Sanchez, A.M.; Partoens, B.; Haigh, S.J.; Milošević, M.V.; Grigorieva, I., V pdf  url
doi  openurl
  Title Enhanced superconductivity in few-layer TaS₂ due to healing by oxygenation Type A1 Journal article
  Year 2020 Publication Nano Letters Abbreviated Journal (down) Nano Lett  
  Volume 20 Issue 5 Pages 3808-3818  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract When approaching the atomically thin limit, defects and disorder play an increasingly important role in the properties of two-dimensional (2D) materials. While defects are generally thought to negatively affect superconductivity in 2D materials, here we demonstrate the contrary in the case of oxygenation of ultrathin tantalum disulfide (TaS2). Our first-principles calculations show that incorporation of oxygen into the TaS2 crystal lattice is energetically favorable and effectively heals sulfur vacancies typically present in these crystals, thus restoring the electronic band structure and the carrier density to the intrinsic characteristics of TaS2. Strikingly, this leads to a strong enhancement of the electron-phonon coupling, by up to 80% in the highly oxygenated limit. Using transport measurements on fresh and aged (oxygenated) few-layer TaS2, we found a marked increase of the superconducting critical temperature (T-c) upon aging, in agreement with our theory, while concurrent electron microscopy and electron-energy loss spectroscopy confirmed the presence of sulfur vacancies in freshly prepared TaS2 and incorporation of oxygen into the crystal lattice with time. Our work thus reveals the mechanism by which certain atomic-scale defects can be beneficial to superconductivity and opens a new route to engineer T-c in ultrathin materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000535255300114 Publication Date 2020-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.8 Times cited 16 Open Access  
  Notes ; This work was supported by Research Foundation-Flanders (FWO). J.Be. acknowledges support of a postdoctoral fellowship of the FWO. The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. S.J.H., D.H., and S.F. would like to thank the Engineering and Physical Sciences Research Council (EPSRC) U.K (grants EP/R031711/1, EP/P009050/1 and the Graphene NOWNANO CDT) and the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement ERC-2016-STG-EvoluTEM-715502, the Hetero2D Synergy grant and EC-FET Graphene Flagship) for funding. We thank Diamond Light Source for access and support in use of the electron Physical Science Imaging Centre (Instrument E02 and proposal numbers EM19315 and MG21597) that contributed to the results presented here. ; Approved Most recent IF: 10.8; 2020 IF: 12.712  
  Call Number UA @ admin @ c:irua:170264 Serial 6507  
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Author Wang, H.; Su, L.; Yagmurcukardes, M.; Chen, J.; Jiang, Y.; Li, Z.; Quan, A.; Peeters, F.M.; Wang, C.; Geim, A.K.; Hu, S. pdf  doi
openurl 
  Title Blue energy conversion from holey-graphene-like membranes with a high density of subnanometer pores Type A1 Journal article
  Year 2020 Publication Nano Letters Abbreviated Journal (down) Nano Lett  
  Volume 20 Issue 12 Pages 8634-8639  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Blue energy converts the chemical potential difference from salinity gradients into electricity via reverse electrodialysis and provides a renewable source of clean energy. To achieve high energy conversion efficiency and power density, nanoporous membrane materials with both high ionic conductivity and ion selectivity are required. Here, we report ion transport through a network of holey-graphene-like sheets made by bottom-up polymerization. The resulting ultrathin membranes provide controlled pores of <10 angstrom in diameter with an estimated density of about 10(12) cm(-2). The pores' interior contains NH2 groups that become electrically charged with varying pH and allow tunable ion selectivity. Using the holey-graphene-like membranes, we demonstrate power outputs reaching hundreds of watts per square meter. The work shows a viable route toward creating membranes with high-density angstrom-scale pores, which can be used for energy generation, ion separation, and related technologies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000599507100032 Publication Date 2020-11-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.8 Times cited 43 Open Access  
  Notes ; The authors acknowledge supported from National Key Research and Development Program of China (2019YFA0705400, 2018YFA0209500), and National Natural Science Foundation of China (21972121, 21671162). M. Y. acknowledges the Flemish Science Foundation (FWO-Vl) postdoctoral fellowship. ; Approved Most recent IF: 10.8; 2020 IF: 12.712  
  Call Number UA @ admin @ c:irua:175048 Serial 6685  
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Author Villarreal, R.; Lin, P.-C.; Faraji, F.; Hassani, N.; Bana, H.; Zarkua, Z.; Nair, M.N.; Tsai, H.-C.; Auge, M.; Junge, F.; Hofsaess, H.C.; De Gendt, S.; De Feyter, S.; Brems, S.; Ahlgren, E.H.; Neyts, E.C.; Covaci, L.; Peeters, F.M.; Neek-Amal, M.; Pereira, L.M.C. url  doi
openurl 
  Title Breakdown of universal scaling for nanometer-sized bubbles in graphene Type A1 Journal article
  Year 2021 Publication Nano Letters Abbreviated Journal (down) Nano Lett  
  Volume 21 Issue 19 Pages 8103-8110  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We report the formation of nanobubbles on graphene with a radius of the order of 1 nm, using ultralow energy implantation of noble gas ions (He, Ne, Ar) into graphene grown on a Pt(111) surface. We show that the universal scaling of the aspect ratio, which has previously been established for larger bubbles, breaks down when the bubble radius approaches 1 nm, resulting in much larger aspect ratios. Moreover, we observe that the bubble stability and aspect ratio depend on the substrate onto which the graphene is grown (bubbles are stable for Pt but not for Cu) and trapped element. We interpret these dependencies in terms of the atomic compressibility of the noble gas as well as of the adhesion energies between graphene, the substrate, and trapped atoms.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000709549100026 Publication Date 2021-09-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 24 Open Access OpenAccess  
  Notes Approved Most recent IF: 12.712  
  Call Number UA @ admin @ c:irua:184137 Serial 6857  
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Author Achari, A.; Bekaert, J.; Sreepal, V.; Orekhov, A.; Kumaravadivel, P.; Kim, M.; Gauquelin, N.; Pillai, P.B.; Verbeeck, J.; Peeters, F.M.; Geim, A.K.; Milošević, M.V.; Nair, R.R. url  doi
openurl 
  Title Alternating superconducting and charge density wave monolayers within bulk 6R-TaS₂ Type A1 Journal article
  Year 2022 Publication Nano letters Abbreviated Journal (down) Nano Lett  
  Volume 22 Issue 15 Pages 6268-6275  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Van der Waals (vdW) heterostructures continue to attract intense interest as a route of designing materials with novel properties that cannot be found in nature. Unfortunately, this approach is currently limited to only a few layers that can be stacked on top of each other. Here, we report a bulk vdW material consisting of superconducting 1H TaS2 monolayers interlayered with 1T TaS2 monolayers displaying charge density waves (CDW). This bulk vdW heterostructure is created by phase transition of 1T-TaS2 to 6R at 800 degrees C in an inert atmosphere. Its superconducting transition (T-c) is found at 2.6 K, exceeding the T-c of the bulk 2H phase. Using first-principles calculations, we argue that the coexistence of superconductivity and CDW within 6R-TaS2 stems from amalgamation of the properties of adjacent 1H and 1T monolayers, where the former dominates the superconducting state and the latter the CDW behavior.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000831832100001 Publication Date 2022-07-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.8 Times cited 12 Open Access OpenAccess  
  Notes This work was supported by the Royal Society, the Leverhulme Trust (PLP-2018-220), the Engineering and Physical Sciences Research Council (EP/N005082/1), and European Research Council (contract 679689). The authors acknowledge the use of the facilities at the Henry Royce Institute and associated support services. J.B. is a postdoctoral fellow of Research Foundation-Flanders (FWO-Vlaanderen). Computational resources were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Governmentdepartment EWI. This work was also performed under a transnational access provision funded by the European Union under the Horizon 2020 programme within a contract for Integrating Activities for Advanced Communities No 823717 − ESTEEM3; esteem3reported; esteem3jra Approved Most recent IF: 10.8  
  Call Number UA @ admin @ c:irua:189495 Serial 7077  
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Author Gobato, Y.G.; de Brito, C.S.; Chaves, A.; Prosnikov, M.A.; Wozniak, T.; Guo, S.; Barcelos, I.D.; Milošević, M.V.; Withers, F.; Christianen, P.C.M. pdf  url
doi  openurl
  Title Distinctive g-factor of Moire-confined excitons in van der Waals heterostructures Type A1 Journal article
  Year 2022 Publication Nano letters Abbreviated Journal (down) Nano Lett  
  Volume 22 Issue 21 Pages 8641-8641  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We investigated the valley Zeeman splitting of excitonic peaks in the microphotoluminescence (mu PL) spectra of high-quality hBN/WS2/MoSe2/hBN heterostructures under perpendicular magnetic fields up to 20 T. We identify two neutral exciton peaks in the mu PL spectra; the lower-energy peak exhibits a reduced g-factor relative to that of the higher energy peak and much lower than the recently reported values for interlayer excitons in other van der Waals (vdW) heterostructures. We provide evidence that such a discernible g-factor stems from the spatial confinement of the exciton in the potential landscape created by the moire pattern due to lattice mismatch or interlayer twist in heterobilayers. This renders magneto-mu PL an important tool to reach a deeper understanding of the effect of moire patterns on excitonic confinement in vdW heterostructures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000877287800001 Publication Date 2022-10-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.8 Times cited 3 Open Access OpenAccess  
  Notes Approved Most recent IF: 10.8  
  Call Number UA @ admin @ c:irua:192166 Serial 7298  
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Author Cai, J.; Griffin, E.; Guarochico-Moreira, V.; Barry, D.; Xin, B.; Huang, S.; Geim, A.K.; Peeters, F.M.; Lozada-Hidalgo, M. url  doi
openurl 
  Title Photoaccelerated water dissociation across one-atom-thick electrodes Type A1 Journal article
  Year 2022 Publication Nano letters Abbreviated Journal (down) Nano Lett  
  Volume 22 Issue 23 Pages 9566-9570  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Recent experiments demonstrated that interfacial water dissociation (H2O ⇆ H+ + OH-) could be accelerated exponentially by an electric field applied to graphene electrodes, a phenomenon related to the Wien effect. Here we report an order-of-magnitude acceleration of the interfacial water dissociation reaction under visible-light illumination. This process is accompanied by spatial separation of protons and hydroxide ions across one-atom-thick graphene and enhanced by strong interfacial electric fields. The found photoeffect is attributed to the combination of graphene's perfect selectivity with respect to protons, which prevents proton-hydroxide recombination, and to proton transport acceleration by the Wien effect, which occurs in synchrony with the water dissociation reaction. Our findings provide fundamental insights into ion dynamics near atomically thin proton-selective interfaces and suggest that strong interfacial fields can enhance and tune very fast ionic processes, which is of relevance for applications in photocatalysis and designing reconfigurable materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000892112200001 Publication Date 2022-11-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.8 Times cited 3 Open Access OpenAccess  
  Notes Approved Most recent IF: 10.8  
  Call Number UA @ admin @ c:irua:192759 Serial 7330  
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Author Yan, X.F.; Chen, Q.; Li, L.L.; Guo, H.Z.; Peng, J.Z.; Peeters, F.M. pdf  url
doi  openurl
  Title High performance piezotronic spin transistors using molybdenum disulfide nanoribbon Type A1 Journal article
  Year 2020 Publication Nano Energy Abbreviated Journal (down) Nano Energy  
  Volume 75 Issue Pages 104953  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract 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  
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Author Bercx, M.; Slap, L.; Partoens, B.; Lamoen, D. pdf  url
doi  openurl
  Title First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes Type A1 Journal article
  Year 2019 Publication MRS advances Abbreviated Journal (down) MRS Adv.  
  Volume 4 Issue 14 Pages 813-820  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Lithium-rich layered oxides such as Li<sub>2</sub>MnO<sub>3</sub>have shown great potential as cathodes in Li-ion batteries, mainly because of their large capacities. However, these materials still suffer from structural degradation as the battery is cycled, reducing the average voltage and capacity of the cell. The voltage fade is believed to be related to the migration of transition metals into the lithium layer, linked to the formation of O-O dimers with a short bond length, which in turn is driven by the presence of oxygen holes due to the participation of oxygen in the redox process. We investigate the formation of O-O dimers for partially charged O1-Li<sub>2</sub>MnO<sub>3</sub>using a first-principles density functional theory approach by calculating the reaction energy and kinetic barriers for dimer formation. Next, we perform similar calculations for partially charged O1-Li<sub>2</sub>IrO<sub>3</sub>, a Li-rich material for which the voltage fade was not observed during cycling. When we compare the stability of the oxygen framework, we conclude that the formation of O-O dimers is both thermodynamically and kinetically viable for O1-Li<sub>0.5</sub>MnO<sub>3</sub>. For O1-Li<sub>0.5</sub>IrO<sub>3</sub>, we observe that the oxygen lattice is much more stable, either returning to its original state when perturbed, or resulting in a structure with an O-O dimer that is much higher in energy. This can be explained by the mixed redox process for Li<sub>2</sub>IrO<sub>3</sub>, which is also shown from the calculated magnetic moments. The lack of O-O dimer formation in O1-Li<sub>0.5</sub>IrO<sub>3</sub>provides valuable insight as to why Li<sub>2</sub>IrO<sub>3</sub>does not demonstrate a voltage fade as the battery is cycled, which can be used to design Li-rich battery cathodes with an improved cycling performance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000466846700004 Publication Date 2019-02-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2059-8521 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 3 Open Access Not_Open_Access: Available from 22.02.2020  
  Notes We acknowledge the financial support of FWO-Vlaanderen through project G040116N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. Approved Most recent IF: NA  
  Call Number EMAT @ emat @UA @ admin @ c:irua:160121 Serial 5179  
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Author Baelus, B.J.; Peeters, F.M. doi  openurl
  Title Multiply connected mesoscopic superconductors Type A1 Journal article
  Year 2003 Publication Modern physics letters B T2 – 3rd International Conference on Modern Problems in Superconductivity, SEP 09-14, 2002, YALTA, UKRAINE Abbreviated Journal (down) Mod Phys Lett B  
  Volume 17 Issue 10-12 Pages 527-536  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Multiply connected mesoscopic: superconductors are considered within the framework of the nonlinear Ginzburg-Landau theory. The two coupled nonlinear equations are solved numerically and we investigated the properties of a superconducting ring, two concentric rings, and an asymmetric ring. We find that (i) for a mesoscopic superconducting ring the flux through the hole is not quantized, (ii) two concentric mesoscopic superconducting rings are magnetically coupled and the interaction energy increases with increasing sample thickness, and (iii) in asymmetric rings, a stationary phase slip state is predicted.  
  Address  
  Corporate Author Thesis  
  Publisher World scientific publ co pte ltd Place of Publication Singapore Editor  
  Language Wos 000184303900016 Publication Date 2003-07-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0217-9849;1793-6640; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 0.617 Times cited Open Access  
  Notes Approved Most recent IF: 0.617; 2003 IF: 0.461  
  Call Number UA @ lucian @ c:irua:103810 Serial 2236  
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Author Leenaerts, O.; Partoens, B.; Peeters, F.M. doi  openurl
  Title Adsorption of small molecules on graphene Type A1 Journal article
  Year 2009 Publication Microelectronics journal Abbreviated Journal (down) Microelectron J  
  Volume 40 Issue 4/5 Pages 860-862  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing molecules. We explain these mechanisms through the density of states of the system and the molecular orbitals of the adsorbates, and demonstrate the possible difficulties in calculating the charge transfer from first principles between a graphene sheet and a molecule. Our results are in good agreement with experiment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000265870200058 Publication Date 2008-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.163 Times cited 116 Open Access  
  Notes Approved Most recent IF: 1.163; 2009 IF: 0.778  
  Call Number UA @ lucian @ c:irua:77030 Serial 65  
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Author Li, B.; Partoens, B.; Peeters, F.M.; Magnus, W. pdf  doi
openurl 
  Title Dielectric mismatch effect on coupled impurity states in a freestanding nanowire Type A1 Journal article
  Year 2009 Publication Microelectronics journal Abbreviated Journal (down) Microelectron J  
  Volume 40 Issue 3 Pages 446-448  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We studied the coupled impurity states in a freestanding semiconductor nanowire (NW), within the effective mass approximation and including the effect of the dielectric mismatch, by using finite element method. Bonding and anti-bonding states are found and their energies converge with increasing distance di between the two impurities. The dependence of the binding energy on the wire radius R and the distance di between the two impurities is investigated, and we compare it with the result of a freestanding NW that contains a single impurity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000264694700017 Publication Date 2008-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.163 Times cited 4 Open Access  
  Notes Approved Most recent IF: 1.163; 2009 IF: 0.778  
  Call Number UA @ lucian @ c:irua:76410 Serial 690  
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Author Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M. doi  openurl
  Title Neutral shallow donors near a metallic interface Type A1 Journal article
  Year 2009 Publication Microelectronics journal Abbreviated Journal (down) Microelectron J  
  Volume 40 Issue 4/5 Pages 753-755  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of a metallic gate on the bound states of a shallow donor located near the gate is studied. We calculate the energy spectrum as a function of the distance between the metallic gate and the donor and find an anti-crossing behavior in the energy levels for certain distances. We show how a transverse electric field can tune the average position of the electron with respect to the metallic gate and the impurity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000265870200024 Publication Date 2009-02-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.163 Times cited 1 Open Access  
  Notes Approved Most recent IF: 1.163; 2009 IF: 0.778  
  Call Number UA @ lucian @ c:irua:77029 Serial 2296  
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Author Milton Pereira, J.; Vasilopoulos, P.; Peeters, F.M. doi  openurl
  Title Resonant tunneling in graphene microstructures Type A1 Journal article
  Year 2008 Publication Microelectronics journal Abbreviated Journal (down) Microelectron J  
  Volume 39 Issue 3-4 Pages 534-536  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000255600600055 Publication Date 2007-08-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.163 Times cited 9 Open Access  
  Notes Approved Most recent IF: 1.163; 2008 IF: 0.859  
  Call Number UA @ lucian @ c:irua:68850 Serial 2892  
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Author Mlinar, V.; Peeters, F.M. doi  openurl
  Title Theoretical study of InAs/GaAs quantum dots grown on [11k] substrates in the presence of a magnetic field Type A1 Journal article
  Year 2006 Publication Microelectronics journal Abbreviated Journal (down) Microelectron J  
  Volume 37 Issue 12 Pages 1427-1429  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000242907400002 Publication Date 2006-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.163 Times cited Open Access  
  Notes Approved Most recent IF: 1.163; 2006 IF: 0.651  
  Call Number UA @ lucian @ c:irua:62325 Serial 3612  
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Author Mlinar, V.; Peeters, F.M. doi  openurl
  Title Tuning of the optical properties of (11k) grown InAs quantum dots by the capping layer Type A1 Journal article
  Year 2008 Publication Microelectronics journal Abbreviated Journal (down) Microelectron J  
  Volume 39 Issue 3-4 Pages 359-361  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000255600600013 Publication Date 2007-09-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.163 Times cited Open Access  
  Notes Approved Most recent IF: 1.163; 2008 IF: 0.859  
  Call Number UA @ lucian @ c:irua:68849 Serial 3753  
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Author Janssens, K.L.; Partoens, B.; Peeters, F.M. doi  openurl
  Title Type II quantum dots in magnetic fields: excitonic behaviour Type A1 Journal article
  Year 2003 Publication Microelectronics journal Abbreviated Journal (down) Microelectron J  
  Volume 34 Issue Pages 347-350  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000183607400007 Publication Date 2003-04-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.163 Times cited 1 Open Access  
  Notes Approved Most recent IF: 1.163; 2003 IF: 0.565  
  Call Number UA @ lucian @ c:irua:62450 Serial 3790  
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Author Lujan, G.S.; Magnus, W.; Sorée, B.; Ragnarsson, L.A.; Trojman, L.; Kubicek, S.; De Gendt, S.; Heyns, A.; De Meyer, K. pdf  doi
openurl 
  Title Barrier permeation effects on the inversion layer subband structure and its applications to the electron mobility Type A1 Journal article
  Year 2005 Publication Microelectronic engineering Abbreviated Journal (down) Microelectron Eng  
  Volume 80 Issue Pages 82-85  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The electron wave functions in the inversion layer are analyzed in the case where the dielectric barriers are not infinite. This forces the electron concentration closer to the interface silicon/oxide and reduces the subband energy. This treatment of the inversion layer is extended to the calculation of the electron mobility degradation due to remote Coulomb scattering on a high-k dielectric stacked transistor. The subband energy reduction leads to a decrease of the scattering charge needed to explain the experimental results. This model can also fit better the experimental data when compared with the case where no barrier permeation is considered.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000231517000021 Publication Date 2005-06-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 1 Open Access  
  Notes Approved Most recent IF: 1.806; 2005 IF: 1.347  
  Call Number UA @ lucian @ c:irua:102729 Serial 222  
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Author Pourtois, G.; Lauwers, A.; Kittl, J.; Pantisano, L.; Sorée, B.; De Gendt, S.; Magnus, W.; Heyns, A.; Maex, K. pdf  doi
openurl 
  Title First-principle calculations on gate/dielectric interfaces : on the origin of work function shifts Type A1 Journal article
  Year 2005 Publication Microelectronic engineering Abbreviated Journal (down) Microelectron Eng  
  Volume 80 Issue Pages 272-279  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The impact of interfacial chemistry occurring at dielectric/gate interface of P-MOS and N-MOS devices is reviewed through a quick literature survey. A specific emphasis is put on the way the bond polarization that occurs between a dielectric and a metal substrate impacts on the gate work function. First-principle simulations are then used to study the work function changes induced by dopant aggregation in nickel monosilicide metal gates. It is shown that the changes are a natural consequence of the variation of the interface polarization.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000231517000062 Publication Date 2005-06-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 31 Open Access  
  Notes Approved Most recent IF: 1.806; 2005 IF: 1.347  
  Call Number UA @ lucian @ c:irua:95095 Serial 1199  
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Author Peeters, F.M.; Schweigert, V.A.; Deo, P.S. doi  openurl
  Title Mesoscopic superconducting disks: fluxoids in a box Type A1 Journal article
  Year 1999 Publication Microelectronic engineering Abbreviated Journal (down) Microelectron Eng  
  Volume 47 Issue Pages 393-395  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000081403600093 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 1 Open Access  
  Notes Approved Most recent IF: 1.806; 1999 IF: 0.815  
  Call Number UA @ lucian @ c:irua:27028 Serial 2002  
Permanent link to this record
 

 
Author Peeters, F.M.; Reijniers, J.; Badalian, S.M.; Vasilopoulos, P. doi  openurl
  Title Snake orbits in hybrid semiconductor/ferromagnetic devices Type A1 Journal article
  Year 1999 Publication Microelectronic engineering Abbreviated Journal (down) Microelectron Eng  
  Volume 47 Issue Pages 405-407  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000081403600096 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 6 Open Access  
  Notes Approved Most recent IF: 1.806; 1999 IF: 0.815  
  Call Number UA @ lucian @ c:irua:27030 Serial 3046  
Permanent link to this record
 

 
Author Pathangi, H.; Cherman, V.; Khaled, A.; Sorée, B.; Groeseneken, G.; Witvrouw, A. doi  openurl
  Title Towards CMOS-compatible single-walled carbon nanotube resonators Type A1 Journal article
  Year 2013 Publication Microelectronic engineering Abbreviated Journal (down) Microelectron Eng  
  Volume 107 Issue Pages 219-222  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We report a totally CMOS-compatible fabrication technique to assemble horizontally suspended single-walled carbon nanotube (SWCNT) resonators. Individual SWCNTs are assembled in parallel at multiple sites by a technique called dielectrophoresis. The mechanical resonance frequencies of the suspended SWCNTs are in the range of 2035 MHz as determined from the piezoresistive response of the resonators during electrostatic actuation. The resistance of the suspended SWCNT either remains unchanged or increases or decreases significantly as a function of the actuation frequency. This can be explained by the effect the nanotube chirality has on the piezoresistive gauge factor.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000319855800040 Publication Date 2012-07-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 6 Open Access  
  Notes ; ; Approved Most recent IF: 1.806; 2013 IF: 1.338  
  Call Number UA @ lucian @ c:irua:109260 Serial 3685  
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Author Moors, K.; Sorée, B.; Magnus, W. doi  openurl
  Title Resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering Type A1 Journal article
  Year 2017 Publication Microelectronic engineering Abbreviated Journal (down) Microelectron Eng  
  Volume 167 Issue 167 Pages 37-41  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract A modeling approach, based on an analytical solution of the semiclassical multi-subband Boltzmann transport equation, is presented to study resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering. While taking into account the detailed statistical properties of grains, roughness and barrier material as well as the metallic band structure and quantum mechanical aspects of scattering and confinement, the model does not rely on phenomenological fitting parameters. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000390746000008 Publication Date 2016-10-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 6 Open Access  
  Notes ; ; Approved Most recent IF: 1.806  
  Call Number UA @ lucian @ c:irua:140354 Serial 4460  
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Author de Backer, J.W.; Vos, W.G.; Gorlé, C.D.; Germonpré, P.; Partoens, B.; Wuyts, F.L.; Parizel, P.M.; de Backer, W. doi  openurl
  Title Flow analyses in the lower airways: patient-specific model and boundary conditions Type A1 Journal article
  Year 2008 Publication Medical engineering and physics Abbreviated Journal (down) Med Eng Phys  
  Volume 30 Issue 7 Pages 872-879  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)  
  Abstract Computational fluid dynamics (CFD) is increasingly applied in the respiratory domain. The ability to simulate the flow through a bifurcating tubular system has increased the insight into the internal flow dynamics and the particular characteristics of respiratory flows such as secondary motions and inertial effects. The next step in the evolution is to apply the technique to patient-specific cases, in order to provide more information about pathological airways. This study presents a patient-specific approach where both the geometry and the boundary conditions (BC) are based on individual imaging methods using computed tomography (CT). The internal flow distribution of a 73-year-old female suffering from chronic obstructive pulmonary disease (COPD) is assessed. The validation is performed through the comparison of lung ventilation with gamma scintigraphy. The results show that in order to obtain agreement within the accuracy limits of the gamma scintigraphy scan, both the patient-specific geometry and the BC (driving pressure) play a crucial role. A minimal invasive test (CT scan) supplied enough information to perform an accurate CFD analysis. In the end it was possible to capture the pathological features of the respiratory system using the imaging and computational fluid dynamics techniques. This brings the introduction of this new technique in the clinical practice one step closer.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000259768300009 Publication Date 2007-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1350-4533; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.819 Times cited 82 Open Access  
  Notes Approved Most recent IF: 1.819; 2008 IF: 2.216  
  Call Number UA @ lucian @ c:irua:71693 Serial 1224  
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Author Ludu, A.; Milošević, M.V.; Peeters, F.M. pdf  doi
openurl 
  Title Vortex states in axially symmetric superconductors in applied magnetic field Type A1 Journal article
  Year 2012 Publication Sn – 0378-4754 Abbreviated Journal (down) Math Comput Simulat  
  Volume 82 Issue 7 Pages 1258-1270  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We solve analytically the linearized Ginzburg-Landau (GL) equation in the presence of an uniform magnetic field with cylindrical boundary conditions. The solution of the non-linear GL equation is provided as an expansion in the basis of linearized solutions. We present examples of the resulting vortex structure for a solid and perforated superconducting cylinder. (C) 2012 IMACS. Published by Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000303097000009 Publication Date 2012-02-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0378-4754; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.218 Times cited 1 Open Access  
  Notes ; ; Approved Most recent IF: 1.218; 2012 IF: 0.836  
  Call Number UA @ lucian @ c:irua:98300 Serial 3887  
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Author Reyntjens, P.D.; Tiwari, S.; van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. url  doi
openurl 
  Title Ab-initio study of magnetically intercalated platinum diselenide : the impact of platinum vacancies Type A1 Journal article
  Year 2021 Publication Materials Abbreviated Journal (down) Materials  
  Volume 14 Issue 15 Pages 4167  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We study the magnetic properties of platinum diselenide (PtSe2) intercalated with Ti, V, Cr, and Mn, using first-principle density functional theory (DFT) calculations and Monte Carlo (MC) simulations. First, we present the equilibrium position of intercalants in PtSe2 obtained from the DFT calculations. Next, we present the magnetic groundstates for each of the intercalants in PtSe2 along with their critical temperature. We show that Ti intercalants result in an in-plane AFM and out-of-plane FM groundstate, whereas Mn intercalant results in in-plane FM and out-of-plane AFM. V intercalants result in an FM groundstate both in the in-plane and the out-of-plane direction, whereas Cr results in an AFM groundstate both in the in-plane and the out-of-plane direction. We find a critical temperature of <0.01 K, 111 K, 133 K, and 68 K for Ti, V, Cr, and Mn intercalants at a 7.5% intercalation, respectively. In the presence of Pt vacancies, we obtain critical temperatures of 63 K, 32 K, 221 K, and 45 K for Ti, V, Cr, and Mn-intercalated PtSe2, respectively. We show that Pt vacancies can change the magnetic groundstate as well as the critical temperature of intercalated PtSe2, suggesting that the magnetic groundstate in intercalated PtSe2 can be controlled via defect engineering.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000682047700001 Publication Date 2021-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1996-1944 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.654 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.654  
  Call Number UA @ admin @ c:irua:180540 Serial 6966  
Permanent link to this record
 

 
Author Veljkovic, D.; Tadić, M.; Peeters, F.M. openurl 
  Title Intersublevel absorption in stacked n-type doped self-assembled quantum dots Type A1 Journal article
  Year 2005 Publication Materials science forum Abbreviated Journal (down) Mater Sci Forum  
  Volume 494 Issue Pages 37-42  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The intersublevel absorption in n-doped InAs/GaAs self-assembled quantum-dot molecules composed of three quantum dots is theoretically considered. The transition matrix elements and the transition energies are found to vary considerably with the spacer thickness. For s polarized light, decreasing the thickness of the spacer between the dots brings about crossings between the transition matrix elements, but the overall absorption is not affected by the variation of the spacer thickness. For p-polarized light and thick spacers, there are no available transitions in the single quantum dot, but a few of them emerge as a result of the electron state splitting in the stacks of coupled quantum dots, which leads to a considerable increase of the transition matrix elements, exceeding by an order of magnitude values of the matrix elements for s-polarized light.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0255-5476; 1662-9752 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:94746 Serial 1715  
Permanent link to this record
 

 
Author Partoens, B.; Matulis, A.; Peeters, F.M. openurl 
  Title Magnetoplasma excitations in vertically coupled quantum dot systems Type A1 Journal article
  Year 1999 Publication Materials science forum Abbreviated Journal (down) Mater Sci Forum  
  Volume 297/298 Issue Pages 225-228  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000080081600043 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0255-5476; 1662-9752 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:24176 Serial 1920  
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