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Author Bekaert, J.; Aperis, A.; Partoens, B.; Oppeneer, P.M.; Milošević, M.V.
  Title Evolution of multigap superconductivity in the atomically thin limit : strain-enhanced three-gap superconductivity in monolayer MgB2 Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 9 Pages 094510
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Starting from first principles, we show the formation and evolution of superconducting gaps in MgB2 at its ultrathin limit. Atomically thin MgB2 is distinctly different from bulk MgB2 in that surface states become comparable in electronic density to the bulklike sigma and pi bands. Combining the ab initio electron-phonon coupling with the anisotropic Eliashberg equations, we showthat monolayer MgB2 develops three distinct superconducting gaps, on completely separate parts of the Fermi surface due to the emergent surface contribution. These gaps hybridize nontrivially with every extra monolayer added to the film owing to the opening of additional coupling channels. Furthermore, we reveal that the three-gap superconductivity in monolayer MgB2 is robust over the entire temperature range that stretches up to a considerably high critical temperature of 20 K. The latter can be boosted to >50K under biaxial tensile strain of similar to 4%, which is an enhancement that is stronger than in any other graphene-related superconductor known to date.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000410166800008 Publication Date 2017-09-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited (up) 56 Open Access
  Notes ; This work was supported by TOPBOF-UAntwerp, Research Foundation-Flanders (FWO), the Swedish Research Council (VR), and the Rontgen-Angstrom Cluster. The first-principles calculations have been carried out on the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Centre (VSC), supported financially by the Hercules Foundation and the Flemish Government (EWI Department). Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:145623 Serial 4741
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Author Bulska, E.; Wysocka, I.A.; Wierzbicka, M.H.; Proost, K.; Janssens, K.; Falkenberg, G.
  Title In vivo investigation of the distribution and the local speciation of selenium in Allium cepa L. by means of microscopic X-ray absorption near-edge structure spectroscopy and confocal microscopic X-ray fluorescence analysis Type A1 Journal article
  Year 2006 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 78 Issue 22 Pages 7616-7624
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000242021400003 Publication Date 2006-10-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.32 Times cited (up) 56 Open Access
  Notes Approved Most recent IF: 6.32; 2006 IF: 5.646
  Call Number UA @ admin @ c:irua:60714 Serial 5659
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Author Bafekry, A.; Shayesteh, S.F.; Ghergherehchi, M.; Peeters, F.M.
  Title Tuning the bandgap and introducing magnetism into monolayer BC3 by strain/defect engineering and adatom/molecule adsorption Type A1 Journal article
  Year 2019 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 126 Issue 14 Pages 144304
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using first-principles calculations, we study the structural, electronic, and optical properties of pristine BC3. Our results show that BC3 is a semiconductor which can be useful in optoelectronic device applications. Furthermore, we found that the electronic properties of BC3 can be modified by strain and the type of edge states. With increasing thickness, the indirect bandgap decreases from 0.7 eV (monolayer) to 0.27 eV (bulk). Upon uniaxial tensile strain along the armchair and zigzag directions, the bandgap slightly decreases, and with increasing uniaxial strain, the bandgap decreases, and when reaching -8%, a semiconductor-to-metal transition occurs. By contrast, under biaxial strain, the bandgap increases to 1.2 eV in +8% and decreases to zero in -8%. BC3 nanoribbons with different widths exhibit magnetism at the zigzag edges, while, at the armchair edges, they become semiconductor, and the bandgap is in the range of 1.0-1.2 eV. Moreover, we systematically investigated the effects of adatoms/molecule adsorption and defects on the structural, electronic, and magnetic properties of BC3. The adsorption of various adatoms and molecules as well as topological defects (vacancies and Stone-Wales defects) can modify the electronic properties. Using these methods, one can tune BC3 into a metal, half-metal, ferromagnetic-metal, and dilute-magnetic semiconductor or preserve its semiconducting character. Published under license by AIP Publishing.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000503995300019 Publication Date 2019-10-10
  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; WoS citing articles
  Impact Factor 2.068 Times cited (up) 56 Open Access
  Notes Approved Most recent IF: 2.068
  Call Number UA @ admin @ c:irua:165160 Serial 6328
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Author Belik, A.A.; Abakumov, A.M.; Tsirlin, A.A.; Hadermann, J.; Kim, J.; Van Tendeloo, G.; Takayama-Muromachi, E.
  Title Article Structure and magnetic properties of BiFe0.75Mn0.25O3 perovskite prepared at ambient and high pressure Type A1 Journal article
  Year 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 23 Issue 20 Pages 4505-4514
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Solid solutions of BiFe1xMnxO3 (0.0 ≤ x ≤ 0.4) were prepared at ambient pressure and at 6 GPa. The ambient-pressure (AP) phases crystallize in space group R3c similarly to BiFeO3. The high-pressure (HP) phases crystallize in space group R3c for x = 0.05 and in space group Pnma for 0.15 ≤ x ≤ 0.4. The structure of HP-BiFe0.75Mn0.25O3 was investigated using synchrotron X-ray powder diffraction, electron diffraction, and transmission electron microscopy. HP-BiFe0.75Mn0.25O3 has a PbZrO3-related √2ap × 4ap × 2√2ap (ap is the parameter of the cubic perovskite subcell) superstructure with a = 5.60125(9) Å, b = 15.6610(2) Å, and c = 11.2515(2) Å similar to that of Bi0.82La0.18FeO3. A remarkable feature of this structure is the unconventional octahedral tilt system, with the primary ab0a tilt superimposed on pairwise clockwise and counterclockwise rotations around the b-axis according to the oioi sequence (o stands for out-of-phase tilt, and i stands for in-phase tilt). The (FeMn)O6 octahedra are distorted, with one longer metaloxygen bond (2.222.23 Å) that can be attributed to a compensation for covalent BiO bonding. Such bonding results in the localization of the lone electron pair on Bi3+ cations, as confirmed by electron localization function analysis. The relationship between HP-BiFe0.75Mn0.25O3 and antiferroelectric structures of PbZrO3 and NaNbO3 is discussed. On heating in air, HP-BiFe0.75Mn0.25O3 irreversibly transforms to AP-BiFe0.75Mn0.25O3 starting from about 600 K. Both AP and HP phases undergo an antiferromagnetic ordering at TN ≈ 485 and 520 K, respectively, and develop a weak net magnetic moment at low temperatures. Additionally, ceramic samples of AP-BiFe0.75Mn0.25O3 show a peculiar phenomenon of magnetization reversal.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000295897400015 Publication Date 2011-09-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited (up) 57 Open Access
  Notes Approved Most recent IF: 9.466; 2011 IF: 7.286
  Call Number UA @ lucian @ c:irua:93581 Serial 151
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Author Stambula, S.; Gauquelin, N.; Bugnet, M.; Gorantla, S.; Turner, S.; Sun, S.; Liu, J.; Zhang, G.; Sun, X.; Botton, G.A.
  Title Chemical structure of nitrogen-doped graphene with single platinum atoms and atomic clusters as a platform for the PEMFC electrode Type A1 Journal article
  Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 118 Issue 8 Pages 3890-3900
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A platform for producing stabilized Pt atoms and clusters through the combination of an N-doped graphene support and atomic layer deposition (ALD) for the Pt catalysts was investigated using transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM). It was determined, using imaging and spectroscopy techniques, that a wide range of N-dopant types entered the graphene lattice through covalent bonds without largely damaging its structure. Additionally and most notably, Pt atoms and atomic clusters formed in the absence of nanoparticles. This work provides a new strategy for experimentally producing stable atomic and subnanometer cluster catalysts, which can greatly assist the proton exchange membrane fuel cell (PEMFC) development by producing the ultimate surface area to volume ratio catalyst.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000332188100004 Publication Date 2014-02-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited (up) 57 Open Access
  Notes Fwo Approved Most recent IF: 4.536; 2014 IF: 4.772
  Call Number UA @ lucian @ c:irua:115571 Serial 352
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Author Orlova, N.V.; Shanenko, A.A.; Milošević, M.V.; Peeters, F.M.; Vagov, A.V.; Axt, V.M.
  Title Ginzburg-Landau theory for multiband superconductors : microscopic derivation Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 87 Issue 13 Pages 134510-134518
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract A procedure to derive the Ginzburg-Landau (GL) theory from the multiband BCS Hamiltonian is developed in a general case with an arbitrary number of bands and arbitrary interaction matrix. It combines the standard Gor'kov truncation and a subsequent reconstruction in order to match accuracies of the obtained terms. This reconstruction recovers the phenomenological GL theory as obtained from the Landau model of phase transitions but offers explicit microscopic expressions for the relevant parameters. Detailed calculations are presented for a three-band system treated as a prototype multiband superconductor. It is demonstrated that the symmetry in the coupling matrix may lead to the chiral ground state with the phase frustration, typical for systems with broken time-reversal symmetry. DOI: 10.1103/PhysRevB.87.134510
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000317586700002 Publication Date 2013-04-16
  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 (up) 57 Open Access
  Notes ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). A.A.S. acknowledges useful discussions with D. Neilson. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
  Call Number UA @ lucian @ c:irua:108464 Serial 1344
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Author Masir, M.R.; Moldovan, D.; Peeters, F.M.
  Title Pseudo magnetic field in strained graphene : revisited Type A1 Journal article
  Year 2013 Publication Solid state communications Abbreviated Journal Solid State Commun
  Volume 175 Issue Pages 76-82
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We revisit the theory of the pseudo magnetic field as induced by strain in graphene using the tight- binding approach. A systematic expansion of the hopping parameter and the deformation of the lattice vectors is presented from which we obtain an expression for the pseudo magnetic field for low energy electrons. We generalize and discuss previous results and propose a novel effective Hamiltonian. The contributions of the different terms to the pseudo field expression are investigated for a model triaxial strain profile and are compared with the full solution. Our work suggests that the previous proposed pseudo magnetic field expression is valid up to reasonably high strain (15%) and there is no K-dependent pseudo-magnetic field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000329538200010 Publication Date 2013-04-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.554 Times cited (up) 57 Open Access
  Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EURO- CORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem programme of the Flemish government. Approved Most recent IF: 1.554; 2013 IF: 1.698
  Call Number UA @ lucian @ c:irua:114805 Serial 2737
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Author van Daele, B.; Van Tendeloo, G.; Ruythooren, W.; Derluyn, J.; Leys, M.; Germain, M.
  Title The role of Al on Ohmic contact formation on n-type GaN and AlGaN/GaN Type A1 Journal article
  Year 2005 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 87 Issue 6 Pages 061905,1-3
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
  Language Wos 000231016900019 Publication Date 2005-08-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited (up) 57 Open Access
  Notes Approved Most recent IF: 3.411; 2005 IF: 4.127
  Call Number UA @ lucian @ c:irua:54808 Serial 2910
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Author Idrissi, H.; Wang, B.; Colla, M.S.; Raskin, J.P.; Schryvers, D.; Pardoen, T.
  Title Ultrahigh strain hardening in thin palladium films with nanoscale twins Type A1 Journal article
  Year 2011 Publication Advanced materials Abbreviated Journal Adv Mater
  Volume 23 Issue 18 Pages 2119-2122
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanocrystalline Pd thin films containing coherent growth twin boundaries are deformed using on-chip nanomechanical testing. A large work-hardening capacity is measured. The origin of the observed behavior is unraveled using transmission electron microscopy and shows specific dislocations and twin boundaries interactions. The results indicate the potential for large strength and ductility balance enhancement in Pd films, as needed in membranes for H technologies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000291164200013 Publication Date 2011-04-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0935-9648; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 19.791 Times cited (up) 57 Open Access
  Notes Iap Approved Most recent IF: 19.791; 2011 IF: 13.877
  Call Number UA @ lucian @ c:irua:90103 Serial 3794
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Author Yang, Z.; Altantzis, T.; Zanaga, D.; Bals, S.; Van Tendeloo, G.; Pileni, M.-P.
  Title Supracrystalline Colloidal Eggs: Epitaxial Growth and Freestanding Three-Dimensional Supracrystals in Nanoscaled Colloidosomes Type A1 Journal article
  Year 2016 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume 138 Issue 138 Pages 3493-3500
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The concept of template-confined chemical reactions allows the synthesis of complex molecules that would hardly be producible through conventional method. This idea was developed to produce high quality nanocrystals more than 20 years ago. However, template-mediated assembly of colloidal nanocrystals is still at an elementary level, not only because of the limited templates suitable for colloidal assemblies, but also because of the poor control over the assembly of nanocrystals within a confined space. Here, we report the design of a new system called “supracrystalline colloidal eggs” formed by controlled assembly of nanocrystals into complex colloidal supracrystals through superlattice-matched epitaxial overgrowth along the existing colloidosomes. Then, with this concept, we extend the supracrystalline growth to lattice-mismatched binary nanocrystal superlattices, in order to reach anisotropic superlattice growths, yielding freestanding binary nanocrystal supracrystals that could not be produced previously.
  Address CEA/IRAMIS , CEA Saclay F-91191 Gif-sur-Yvette, France
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000372477700034 Publication Date 2016-02-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.858 Times cited (up) 57 Open Access OpenAccess
  Notes The research leading to these results has been supported by an Advanced Grant of the European Research Council under Grant 267129. The authors appreciate financial support by the European Union under the Framework 7 program under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). The authors thank Dr. P. A. Albouy for the SAXS measurement.; esteem2_ta Approved Most recent IF: 13.858
  Call Number c:irua:131923 c:irua:131923 Serial 4018
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Author Altantzis, T.; Coutino-Gonzalez, E.; Baekelant, W.; Martinez, G.T.; Abakumov, A.M.; Van Tendeloo, G.; Roeffaers, M.B.J.; Bals, S.; Hofkens, J.
  Title Direct Observation of Luminescent Silver Clusters Confined in Faujasite Zeolites Type A1 Journal article
  Year 2016 Publication ACS nano Abbreviated Journal Acs Nano
  Volume 10 Issue 10 Pages 7604-7611
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract One of the ultimate goals in the study of metal clusters is the correlation between the atomic-scale organization and their physicochemical properties. However, direct observation of the atomic organization of such minuscule metal clusters is heavily hindered by radiation damage imposed by the different characterization techniques. We present direct evidence of the structural arrangement, at an atomic level, of luminescent silver species stabilized in faujasite (FAU) zeolites using aberration-corrected scanning transmission electron microscopy. Two different silver clusters were identified in Ag-FAU zeolites, a trinuclear silver species associated with green emission and a tetranuclear silver species related to yellow emission. By combining direct imaging with complementary information obtained from X-ray powder diffraction and Rietveld analysis, we were able to elucidate the main differences at an atomic scale between luminescent (heat-treated) and nonluminescent (cation-exchanged) Ag-FAU zeolites. It is expected that such insights will trigger the directed synthesis of functional metal nanocluster-zeolite composites with tailored luminescent properties.
  Address RIES, Hokkaido University , N20W10, Kita-Ward Sapporo 001-0020, Japan
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000381959100043 Publication Date 2016-07-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.942 Times cited (up) 57 Open Access OpenAccess
  Notes The authors gratefully acknowledge financial support from the Belgian Federal government (Belspo through the IAP-VI/27 and IAP-VII/05 programs), the European Union’s Seventh Framework Programme (FP7/2007-2013 under grant agreement no. 310651 SACS and no. 312483-ESTEEM2), the Flemish government in the form of long-term structural funding “Methusalem” grant METH/15/04 CASAS2, the Hercules foundation (HER/11/14), the “Strategisch Initiatief Materialen” SoPPoM program, and the Fund for Scientific Research Flanders (FWO) grants G.0349.12 and G.0B39.15. S.B. acknowledges funding from ERC Starting Grant COLOURATOMS (335078). The authors thank Prof. S. Van Aert for helpful discussions, Dr. T. De Baerdemaeker for XRD measurements, Mr. B. Dieu for the preparation of graphical material, and UOP Antwerp for the kind donation of zeolite samples.; esteem2jra4; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942
  Call Number c:irua:134576 c:irua:134576 Serial 4102
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Author Peeters, H.; Keulemans, M.; Nuyts, G.; Vanmeert, F.; Li, C.; Minjauw, M.; Detavernier, C.; Bals, S.; Lenaerts, S.; Verbruggen, S.W.
  Title Plasmonic gold-embedded TiO2 thin films as photocatalytic self-cleaning coatings Type A1 Journal article
  Year 2020 Publication Applied Catalysis B-Environmental Abbreviated Journal Appl Catal B-Environ
  Volume 267 Issue 267 Pages 118654
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Transparent photocatalytic TiO2 thin films hold great potential in the development of self-cleaning glass sur-

faces, but suffer from a poor visible light response that hinders the application under actual sunlight. To alleviate this problem, the photocatalytic film can be modified with plasmonic nanoparticles that interact very effectively with visible light. Since the plasmonic effect is strongly concentrated in the near surroundings of the nano- particle surface, an approach is presented to embed the plasmonic nanostructures in the TiO2 matrix itself, rather than deposit them loosely on the surface. This way the interaction interface is maximised and the plasmonic effect can be fully exploited. In this study, pre-fabricated gold nanoparticles are made compatible with the organic medium of a TiO2 sol-gel coating suspension, resulting in a one-pot coating suspension. After spin coating, homogeneous, smooth, highly transparent and photoactive gold-embedded anatase thin films are ob- tained.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000518865300002 Publication Date 2020-01-18
  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 22.1 Times cited (up) 57 Open Access OpenAccess
  Notes H.P. is grateful to the Research Foundation Flanders (FWO) for an aspirant PhD scholarship. Approved Most recent IF: 22.1; 2020 IF: 9.446
  Call Number EMAT @ emat @c:irua:165616 Serial 5446
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Author Tirumalasetty, G.K.; van Huis, M.A.; Fang, C.M.; Xu, Q.; Tichelaar, F.D.; Hanlon, D.N.; Sietsma, J.; Zandbergen, H.W.
  Title Characterization of NbC and (Nb, Ti)N nanoprecipitates in TRIP assisted multiphase steels Type A1 Journal article
  Year 2011 Publication Acta materialia Abbreviated Journal Acta Mater
  Volume 59 Issue 19 Pages 7406-7415
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Multiphase steels utilising composite strengthening may be further strengthened via grain refinement or precipitation by the addition of microalloying elements. In this study a Nb microalloyed steel comprising martensite, bainite and retained austenite has been studied. By means of transmission electron microscopy (TEM) we have investigated the size distribution and the structural properties of (Nb, Ti)N and NbC precipitates, their occurrence in the various steel phases, and their relationship with the Fe matrix. (Nb, Ti)N precipitates were found in ferrite, martensite, and bainite, while NbC precipitates were found only in ferrite. All NbC precipitates were found to be small (520 nm in size) and to have a face centred cubic (fcc) crystal structure with lattice parameter a = 4.36 ± 0.05 Å. In contrast, the (Nb, Ti)N precipitates were found to have a broader size range (5150 nm) and to have a fcc crystal structure with lattice parameter a = 8.09 ± 0.05 Å. While the NbC precipitates were found to be randomly oriented, the (Nb, Ti)N precipitates have a well-defined NishiyamaWasserman orientation relationship with the ferrite matrix. An analysis of the lattice mismatch suggests that the latter precipitates have a high potential for effective strengthening. Density functional theory calculations were performed for various stoichiometries of NbCx and NbxTiyNz phases and the comparison with experimental data indicates that both the carbides and nitrides are deficient in C and N content.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000296405200026 Publication Date 2011-09-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1359-6454; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.301 Times cited (up) 58 Open Access
  Notes Approved Most recent IF: 5.301; 2011 IF: 3.755
  Call Number UA @ lucian @ c:irua:93297 Serial 328
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Author Tso, H.C.; Vasilopoulos, P.; Peeters, F.M.
  Title Coulomb coupling between spatially separated electron and hole layers: generalized random-phase approximation Type A1 Journal article
  Year 1993 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 70 Issue Pages 2146-2149
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract http://dx.doi.org/doi:10.1103/PhysRevLett.70.2146
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos A1993KV97400024 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.512 Times cited (up) 58 Open Access
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #
  Call Number UA @ lucian @ c:irua:5786 Serial 531
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Author Çakir, D.; Sahin, H.; Peeters, F.M.
  Title Doping of rhenium disulfide monolayers : a systematic first principles study Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 16 Issue 31 Pages 16771-16779
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The absence of a direct-to-indirect band gap transition in ReS2 when going from the monolayer to bulk makes it special among the other semiconducting transition metal dichalcogenides. The functionalization of this promising layered material emerges as a necessity for the next generation technological applications. Here, the structural, electronic, and magnetic properties of substitutionally doped ReS2 monolayers at either the S or Re site were systematically studied by using first principles density functional calculations. We found that substitutional doping of ReS2 depends sensitively on the growth conditions of ReS2. Among the large number of non-metallic atoms, namely H, B, C, Se, Te, F, Br, Cl, As, P. and N, we identified the most promising candidates for n-type and p-type doping of ReS2. While Cl is an ideal candidate for n-type doping, P appears to be the most promising candidate for p-type doping of the ReS2 monolayer. We also investigated the doping of ReS2 with metal atoms, namely Mo, W, Ti, V. Cr, Co, Fe, Mn, Ni, Cu, Nb, Zn, Ru, Os and Pt. Mo, Nb, Ti, and V atoms are found to be easily incorporated in a single layer of ReS2 as substitutional impurities at the Re site for all growth conditions considered in this work. Tuning chemical potentials of dopant atoms energetically makes it possible to dope ReS2 with Fe, Co, Cr, Mn, W, Ru, and Os at the Re site. We observe a robust trend for the magnetic moments when substituting a Re atom with metal atoms such that depending on the electronic configuration of dopant atoms, the net magnetic moment of the doped ReS2 becomes either 0 or 1 mu(B). Among the metallic dopants, Mo is the best candidate for p-type doping of ReS2 owing to its favorable energetics and promising electronic properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000340075700048 Publication Date 2014-07-02
  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 (up) 58 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. 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. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; Approved Most recent IF: 4.123; 2014 IF: 4.493
  Call Number UA @ lucian @ c:irua:118742 Serial 752
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Author Ding, F.; Akopian, N.; Li, B.; Perinetti, U.; Govorov, A.; Peeters, F.M.; Bufon, C.C.; Deneke, C.; Chen, Y.H.; Rastelli, A.; Schmidt, O.G.; Zwiller, V.
  Title Gate controlled Aharonov-Bohm-type oscillations from single neutral excitons in quantum rings Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 82 Issue 7 Pages 8
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000280813100005 Publication Date 2010-08-11
  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 (up) 58 Open Access
  Notes ; We acknowledge L. P. Kouwenhoven and Z. G. Wang for support, L. Wang, V. Fomin, S. Kiravittaya, M. Tadic, Wen-Hao Chang, I. Sellers, A. Avetisyan, and C. Pryor for fruitful discussions and the financial support of NWO (VIDI), the CAS-MPG program, the DFG (FOR730), BMBF (Grant No. 01BM459), NSFC (Grant No. 60625402), and Flemish Science Foundation (FWO-V1). Access to the TEM of B. Rellinghaus is acknowledged. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
  Call Number UA @ lucian @ c:irua:83992 Serial 1321
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Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.
  Title Magnetopolaron effect on shallow donor states in GaAs Type A1 Journal article
  Year 1993 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 48 Issue 8 Pages 5202-5216
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos A1993LV38500026 Publication Date 2002-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.736 Times cited (up) 58 Open Access
  Notes Approved CHEMISTRY, MULTIDISCIPLINARY 56/163 Q2 # CRYSTALLOGRAPHY 6/26 Q1 #
  Call Number UA @ lucian @ c:irua:5749 Serial 1923
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Author Van Tendeloo, G.; Amelinckx, S.; de Boer, J.L.; van Smaalen, S.; Verheijen, M.A.; Meekes, H.; Meijer, G.
  Title Structural phase transitions in C70 Type A1 Journal article
  Year 1993 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
  Volume 21 Issue 3 Pages 329-334
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Cubic as well as hexagonal single crystals of C70 have been grown and investigated by electron diffraction, electron microscopy and X-ray diffraction. Several phase transitions have been detected and crystallographic models are proposed. Hexagonal crystals, stable at room temperature with c/a = 1.63 will undergo two transitions, upon cooling. First the c/a ratio will increase to 1.82 owing to c-axis allignment of the molecules; at a lower temperature the molecules will orientationally order, resulting in a monoclinic structure.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Paris Editor
  Language Wos A1993KL31700013 Publication Date 2007-07-26
  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 2.095 Times cited (up) 58 Open Access
  Notes Approved
  Call Number UA @ lucian @ c:irua:6789 Serial 3252
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Author Bals, S.; Goris, B.; Liz-Marzan, L.M.; Van Tendeloo, G.
  Title Three-dimensional characterization of noble-metal nanoparticles and their assemblies by electron tomography Type A1 Journal article
  Year 2014 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
  Volume 53 Issue 40 Pages 10600-10610
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract New developments in the field of nanomaterials drive the need for quantitative characterization techniques that yield information down to the atomic scale. In this Review, we focus on the three-dimensional investigations of metal nanoparticles and their assemblies by electron tomography. This technique has become a versatile tool to understand the connection between the properties and structure or composition of nanomaterials. The different steps of an electron tomography experiment are discussed and we show how quantitative three-dimensional information can be obtained even at the atomic scale.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000342761500006 Publication Date 2014-08-11
  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 (up) 58 Open Access OpenAccess
  Notes 267867 Plasmaquo; 246791 Countatoms; 335078 Colouratom; 262348 Esmi; Fwo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 11.994; 2014 IF: 11.261
  Call Number UA @ lucian @ c:irua:121093 Serial 3646
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Author Leenaerts, O.; Partoens, B.; Peeters, F.M.
  Title Tunable double Dirac cone spectrum in bilayer \alpha-graphyne Type A1 Journal article
  Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 103 Issue 1 Pages 013105-4
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Monolayer alpha-graphyne was recently proposed as a new all-carbon material having an electronic spectrum consisting of Dirac cones. Based on a first-principles investigation of bilayer alpha-graphyne, we show that the electronic band structure is qualitatively different from its monolayer form and depends crucially on the stacking mode of the two layers. Two stable stacking modes are found: a configuration with a gapless parabolic band structure, similar to AB stacked bilayer graphene, and another one which exhibits a doubled Dirac-cone spectrum. The latter can be tuned by an electric field with a gap opening rate of 0.3 eA. (C) 2013 AIP Publishing LLC.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
  Language Wos 000321497200032 Publication Date 2013-07-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited (up) 58 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the NOI-BOF of the University of Antwerp, and the ESF EuroGRAPHENE project CONGRAN. ; Approved Most recent IF: 3.411; 2013 IF: 3.515
  Call Number UA @ lucian @ c:irua:109821 Serial 3740
Permanent link to this record
 

 
Author Marmorkos, I.K.; Matulis, A.; Peeters, F.M.
  Title Vortex structure around a magnetic dot in planar superconductors Type A1 Journal article
  Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 53 Issue Pages 2677-2685
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos A1996TV39300081 Publication Date 2002-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.736 Times cited (up) 58 Open Access
  Notes Approved INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 #
  Call Number UA @ lucian @ c:irua:15804 Serial 3893
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Author van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title Two-dimensional hexagonal tin : ab initio geometry, stability, electronic structure and functionalization Type A1 Journal article
  Year 2014 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 1 Issue Pages 021004
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We study the structural, mechanical and electronic properties of the two-dimensional (2D) allotrope of tin: tinene/stanene using first-principles calculation within density functional theory, implemented in a set of computer codes. Continuing the trend of the group-IV 2D materials graphene, silicene and germanene; tinene is predicted to have a honeycomb lattice with lattice parameter of a(0) = 4.62 angstrom and a buckling of d(0) = 0.92 angstrom. The electronic dispersion shows a Dirac cone with zero gap at the Fermi energy and a Fermi velocity of v(F) = 0.97 x 10(6) m s(-1); including spin-orbit coupling yields a bandgap of 0.10 eV. The monolayer is thermally stable up to 700 K, as indicated by first-principles molecular dynamics, and has a phonon dispersion without imaginary frequencies. We explore applied electric field and applied strain as functionalization mechanisms. Combining these two mechanisms allows for an induced bandgap up to 0.21 eV, whilst retaining the linear dispersion, albeit with degraded electronic transport parameters.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication Bristol Editor
  Language Wos 000353650400004 Publication Date 2014-08-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited (up) 58 Open Access
  Notes Approved Most recent IF: 6.937; 2014 IF: NA
  Call Number UA @ lucian @ c:irua:134432 Serial 4530
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Author Lu, Y.; Cheng, X.; Tian, G.; Zhao, H.; He, L.; Hu, J.; Wu, S.-M.; Dong, Y.; Chang, G.-G.; Lenaerts, S.; Siffert, S.; Van Tendeloo, G.; Li, Z.-F.; Xu, L.-L.; Yang, X.-Y.; Su, B.-L.
  Title Hierarchical CdS/m-TiO 2 /G ternary photocatalyst for highly active visible light-induced hydrogen production from water splitting with high stability Type A1 Journal article
  Year 2018 Publication Nano energy Abbreviated Journal Nano Energy
  Volume 47 Issue Pages 8-17
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Hierarchical semiconductors are the most important photocatalysts, especially for visible light-induced hydrogen production from water splitting. We demonstrate herein a hierarchical electrostatic assembly approach to hierarchical CdS/m-TiO2/G ternary photocatalyst, which exhibits high photoactivity and excellent photostability (more than twice the activity of pure CdS while 82% of initial photoactivity remained after 15 recycles during 80 h irradiation). The ternary nanojunction effect of the photocatalyst has been investigated from orbitals hybrid, bonding energy to atom-stress distortion and nano-interface fusion. And a coherent separation mechanism of charge carriers in the ternary system has been proposed at an atomic/nanoscale. This work offers a promising way to inhibit the photocorrosion of CdS and, more importantly, provide new insights for the design of ternary nanostructured photocatalysts with an ideal heterojunction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000430057000002 Publication Date 2018-02-14
  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 12.343 Times cited (up) 58 Open Access Not_Open_Access
  Notes This work supported by National Key R&D Program of China (2017YFC1103800), Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52), National Natural Science Foundation of China (U1663225, U1662134, 51472190, 51611530672, 21711530705, 51503166, 51602236, 21706199), International Science & Technology Cooperation Program of China (2015DFE52870), Natural Science Foundation of Hubei Province (2016CFA033, 2017CFB487), Open 22 Project Program of State Key Laboratory of Petroleum Pollution Control (PPC2016007) CNPC Research Institute of Safety and Environmental Technology., China Postdoctoral Science Foundation (2016M592400), Fundamental Research Funds for the Central Universities (WUT: 2017IVB012). Approved Most recent IF: 12.343
  Call Number EMAT @ lucian @c:irua:150720 Serial 4925
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Author Groenendijk, D.J.; Autieri, C.; van Thiel, T.C.; Brzezicki, W.; Hortensius, J.R.; Afanasiev, D.; Gauquelin, N.; Barone, P.; van den Bos, K.H.W.; van Aert, S.; Verbeeck, J.; Filippetti, A.; Picozzi, S.; Cuoco, M.; Caviglia, A.D.
  Title Berry phase engineering at oxide interfaces Type A1 Journal article
  Year 2020 Publication Abbreviated Journal Phys. Rev. Research
  Volume 2 Issue 2 Pages 023404
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Three-dimensional strontium ruthenate (SrRuO3) is an itinerant ferromagnet that features Weyl points acting as sources of emergent magnetic fields, anomalous Hall conductivity, and unconventional spin dynamics. Integrating SrRuO3 in oxide heterostructures is potentially a novel route to engineer emergent electrodynamics, but its electronic band topology in the two-dimensional limit remains unknown. Here we show that ultrathin SrRuO3 exhibits spin-polarized topologically nontrivial bands at the Fermi energy. Their band anticrossings show an enhanced Berry curvature and act as competing sources of emergent magnetic fields. We control their balance by designing heterostructures with symmetric (SrTiO3/SrRuO3/SrTiO3 and SrIrO3/SrRuO3/SrIrO3) and asymmetric interfaces (SrTiO3/SrRuO3/SrIrO3). Symmetric structures exhibit an interface-tunable single-channel anomalous Hall effect, while ultrathin SrRuO3 embedded in asymmetric structures shows humplike features consistent with multiple Hall contributions. The band topology of two-dimensional SrRuO3 proposed here naturally accounts for these observations and harmonizes a large body of experimental results.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000603642700008 Publication Date 2020-06-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2643-1564 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited (up) 58 Open Access OpenAccess
  Notes Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Fonds Wetenschappelijk Onderzoek; European Research Council; Horizon 2020, 677458 770887 731473 ; Fondazione Cariplo, 2013-0726 ; Narodowe Centrum Nauki, 2016/23/B/ST3/00839 ; Fundacja na rzecz Nauki Polskiej; Universiteit Antwerpen; Vlaamse regering; Approved Most recent IF: NA
  Call Number EMAT @ emat @c:irua:172462 Serial 6401
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Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers Type A1 Journal article
  Year 1992 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 96 Issue 10 Pages 7633-7645
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos A1992HU55700047 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.952 Times cited (up) 59 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:4195 Serial 1206
Permanent link to this record
 

 
Author Deo, P.S.; Schweigert, V.A.; Peeters, F.M.
  Title Hysteresis in mesoscopic superconducting disks: the Bean-Livingston barrier Type A1 Journal article
  Year 1999 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 59 Issue Pages 6039-6042
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000079254300016 Publication Date 2002-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited (up) 59 Open Access
  Notes Approved Most recent IF: 3.836; 1999 IF: NA
  Call Number UA @ lucian @ c:irua:24156 Serial 1545
Permanent link to this record
 

 
Author Schapotschnikow, P.; van Huis, M.A.; Zandbergen, H.W.; Vanmaekelbergh, D.; Vlugt, T.J.H.
  Title Morphological transformations and fusion of PbSe nanocrystals studied using atomistic simulations Type A1 Journal article
  Year 2010 Publication Nano letters Abbreviated Journal Nano Lett
  Volume 10 Issue 10 Pages 3966-3971
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Molecular dynamics simulations are performed on capped and uncapped PbSe nanocrystals, employing newly developed classical interaction potentials. Here, we show that two uncapped nanocrystals fuse efficiently via direct surface attachment, even if they are initially misaligned. In sharp contrast to the general belief, interparticle dipole interactions do not play a significant role in this oriented attachment process. Furthermore, it is shown that presumably polar, capped PbSe{111} facets are never fully Pb- or Se-terminated.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington Editor
  Language Wos 000282727600028 Publication Date 2010-09-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.712 Times cited (up) 59 Open Access
  Notes Approved Most recent IF: 12.712; 2010 IF: 12.219
  Call Number UA @ lucian @ c:irua:84902 Serial 2205
Permanent link to this record
 

 
Author Yusupov, M.; Bogaerts, A.; Huygh, S.; Snoeckx, R.; van Duin, A.C.T.; Neyts, E.C.
  Title Plasma-induced destruction of bacterial cell wall components : a reactive molecular dynamics simulation Type A1 Journal article
  Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 117 Issue 11 Pages 5993-5998
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Nonthermal atmospheric pressure plasmas are gaining increasing attention for biomedical applications. However, very little fundamental information on the interaction mechanisms between the plasma species and biological cells is currently available. We investigate the interaction of important plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, with bacterial peptidoglycan by means of reactive molecular dynamics simulations, aiming for a better understanding of plasma disinfection. Our results show that OH, O, O3, and H2O2 can break structurally important bonds of peptidoglycan (i.e., CO, CN, or CC bonds), which consequently leads to the destruction of the bacterial cell wall. The mechanisms behind these breakups are, however, dependent on the impinging plasma species, and this also determines the effectiveness of the cell wall destruction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000316773000056 Publication Date 2013-02-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited (up) 59 Open Access
  Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
  Call Number UA @ lucian @ c:irua:107154 Serial 2636
Permanent link to this record
 

 
Author Zhu, J.-J.; Badalyan, S.M.; Peeters, F.M.
  Title Plasmonic excitations in Coulomb-coupled N-layer graphene structures Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 87 Issue 8 Pages 085401-85408
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We study Dirac plasmons and their damping in spatially separated N-layer graphene structures at finite doping and temperatures. The plasmon spectrum consists of one optical excitation with square-root dispersion and N – 1 acoustical excitations with linear dispersion, which are undamped at zero temperature and finite doping within a triangular energy region outside the electron-hole continuum. In the long-wavelength limit the energy and weight of the optical plasmon modes increase, respectively, as the square root and linearly with N in agreement with recent experimental findings. The energy and weight of the upper-lying acoustical branches also increase with N. This increase is strongest for the uppermost acoustical mode, and we find that its energy can exceed at some value of momentum the plasmon energy in an individual graphene sheet. Meanwhile, the energy of the low-lying acoustical branches decreases weakly with N as compared with the single acoustical mode in double-layer graphene structures. Our numerical calculations provide a detailed understanding of the overall behavior of the wave-vector dependence of the optical and acoustical multilayer plasmon modes and show how their dispersion and damping are modified as a function of temperature, interlayer spacing, and inlayer carrier density in (un)balanced graphene multilayer structures. DOI: 10.1103/PhysRevB.87.085401
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000314682900005 Publication Date 2013-02-05
  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 (up) 59 Open Access
  Notes ; This work was supported by the ESF-Eurocores program EuroGRAPHENE (CONGRAN project) and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2013 IF: 3.664
  Call Number UA @ lucian @ c:irua:107671 Serial 2645
Permanent link to this record
 

 
Author Bafekry, A.; Shayesteh, S.F.; Peeters, F.M.
  Title Introducing novel electronic and magnetic properties in C3N nanosheets by defect engineering and atom substitution Type A1 Journal article
  Year 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 21 Issue 37 Pages 21070-21083
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using first-principles calculations the effect of topological defects, vacancies, Stone-Wales and anti-site and substitution of atoms, on the structure and electronic properties of monolayer C3N are investigated. Vacancy defects introduce localized states near the Fermi level and a local magnetic moment. While pristine C3N is an indirect semiconductor with a 0.4 eV band gap, with substitution of O, S and Si atoms for C, it remains a semiconductor with a band gap in the range 0.25-0.75 eV, while it turns into a metal with H, Cl, B, P, Li, Na, K, Be and Mg substitution. With F substitution, it becomes a dilute-magnetic semiconductor, while with Ca substitution it is a ferromagnetic-metal. When replacing the N host atom, C3N turns into: a metal (H, O, S, C, Si, P, Li and Be), ferromagnetic-metal (Mg), half-metal (Ca) and spin-glass semiconductor (Na and K). Moreover, the effects of charging and strain on the electronic properties of Na atom substitution in C3N are investigated. We found that the magnetic moment decreases or increases depending on the type and size of strain (tensile or compression). Our study shows how the band gap and magnetism in monolayer C3N can be tuned by introducing defects and atom substitution. The so engineered C3N can be a good candidate for future low dimensional devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000489984200050 Publication Date 2019-09-09
  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 (up) 59 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:163732 Serial 5418
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