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Author Sels, D.; Brosens, F.; Magnus, W. doi  openurl
  Title Wigner distribution functions for complex dynamical systems : a path integral approach Type A1 Journal article
  Year 2013 Publication Physica: A : theoretical and statistical physics Abbreviated Journal Physica A  
  Volume 392 Issue 2 Pages 326-335  
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)  
  Abstract Starting from Feynmans Lagrangian description of quantum mechanics, we propose a method to construct explicitly the propagator for the Wigner distribution function of a single system. For general quadratic Lagrangians, only the classical phase space trajectory is found to contribute to the propagator. Inspired by Feynmans and Vernons influence functional theory we extend the method to calculate the propagator for the reduced Wigner function of a system of interest coupled to an external system. Explicit expressions are obtained when the external system consists of a set of independent harmonic oscillators. As an example we calculate the propagator for the reduced Wigner function associated with the CaldeiraLegett model.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000311135200004 Publication Date 2012-09-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0378-4371; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.243 Times cited 9 Open Access (up)  
  Notes ; ; Approved Most recent IF: 2.243; 2013 IF: 1.722  
  Call Number UA @ lucian @ c:irua:101414 Serial 3921  
Permanent link to this record
 

 
Author Nelissen, K.; Partoens, B.; van den Broeck, C. doi  openurl
  Title Work and dissipation in 2D clusters Type A1 Journal article
  Year 2009 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 88 Issue 3 Pages 30001-30001,6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We show by extensive numerical simulations, that far-from-equilibrium experiments on dusty plasmas and on dipole particles in a circular cavity are good candidates for the verification of the Jarzynski equality, the Crooks relation and, to a lesser extent, of the recently obtained microscopic expression for the dissipated work.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000271961400001 Publication Date 2009-11-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 2 Open Access (up)  
  Notes Approved Most recent IF: 1.957; 2009 IF: 2.893  
  Call Number UA @ lucian @ c:irua:86925 Serial 3922  
Permanent link to this record
 

 
Author Cornil, D.; Li, H.; Wood, C.; Pourtois, G.; Bredas, J.-L.; Cornil, J. doi  openurl
  Title Work-function modification of Au and Ag surfaces upon deposition of self-assembled monolayers : influence of the choice of the theoretical approach and the thiol decomposition scheme Type A1 Journal article
  Year 2013 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem  
  Volume 14 Issue 13 Pages 2939-2946  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We have characterized theoretically the work-function modifications of the (111) surfaces of gold and silver upon deposition of self-assembled monolayers based on methanethiol and trifluoromethanethiol. A comparative analysis is made between the experimental results and those obtained from two widely used approaches based on density functional theory. The contributions to the total work-function modifications are estimated on the basis of two decomposition schemes of the thiol molecules that have been proposed in the literature. The contributions are found to differ significantly between the two approaches, as do the corresponding adsorption energies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000324316000014 Publication Date 2013-07-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1439-4235; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.075 Times cited 9 Open Access (up)  
  Notes Approved Most recent IF: 3.075; 2013 IF: 3.360  
  Call Number UA @ lucian @ c:irua:112278 Serial 3923  
Permanent link to this record
 

 
Author Bittencourt, C.; Hitchock, A.P.; Ke, X.; Van Tendeloo, G.; Ewels, C.P.; Guttmann, P. pdf  url
doi  openurl
  Title X-ray absorption spectroscopy by full-field X-ray microscopy of a thin graphite flake: Imaging and electronic structure via the carbon K-edge Type A1 Journal article
  Year 2012 Publication Beilstein journal of nanotechnology Abbreviated Journal Beilstein J Nanotech  
  Volume 3 Issue Pages 345-350  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract We demonstrate that near-edge X-ray-absorption fine-structure spectra combined with full-field transmission X-ray microscopy can be used to study the electronic structure of graphite flakes consisting of a few graphene layers. The flake was produced by exfoliation using sodium cholate and then isolated by means of density-gradient ultracentrifugation. An image sequence around the carbon K-edge, analyzed by using reference spectra for the in-plane and out-of-plane regions of the sample, is used to map and spectrally characterize the flat and folded regions of the flake. Additional spectral features in both π and σ regions are observed, which may be related to the presence of topological defects. Doping by metal impurities that were present in the original exfoliated graphite is indicated by the presence of a pre-edge signal at 284.2 eV.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000303243400001 Publication Date 2012-04-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2190-4286; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.127 Times cited 15 Open Access (up)  
  Notes Approved Most recent IF: 3.127; 2012 IF: 2.374  
  Call Number UA @ lucian @ c:irua:97703 Serial 3924  
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Author Guda, A.A.; Smolentsev, N.; Verbeeck, J.; Kaidashev, E.M.; Zubavichus, Y.; Kravtsova, A.N.; Polozhentsev, O.E.; Soldatov, A.V. pdf  doi
openurl 
  Title X-ray and electron spectroscopy investigation of the coreshell nanowires of ZnO:Mn Type A1 Journal article
  Year 2011 Publication Solid state communications Abbreviated Journal Solid State Commun  
  Volume 151 Issue 19 Pages 1314-1317  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract ZnO/ZnO:Mn coreshell nanowires were studied by means of X-ray absorption spectroscopy of the Mn K- and L2,3-edges and electron energy loss spectroscopy of the O K-edge. The combination of conventional X-ray and nanofocused electron spectroscopies together with advanced theoretical analysis turned out to be fruitful for the clear identification of the Mn phase in the volume of the coreshell structures. Theoretical simulations of spectra, performed using the full-potential linear augmented plane wave approach, confirm that the shell of the nanowires, grown by the pulsed laser deposition method, is a real dilute magnetic semiconductor with Mn2+ atoms at the Zn sites, while the core is pure ZnO.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000295492200003 Publication Date 2011-06-30  
  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 12 Open Access (up)  
  Notes We acknowledge the Helmholtz-Zentrum Berlin – Electron storage ring BESSY-II for provision of synchrotron radiation at the Russian-German beamline and financial support. This research was supported by the Russian Ministry to education and science (RPN 2.1.1. 5932 grant and RPN 2.1.1.6758 grant). N.S. and A.G. would like to thank the Russian Ministry of Education for providing the fellowships of President of Russian Federation to study abroad. We would like to thank the UGINFO computer center of Southern federal university for providing the computer time. Approved Most recent IF: 1.554; 2011 IF: 1.649  
  Call Number UA @ lucian @ c:irua:92831 Serial 3925  
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Author Conard, T.; de Witte, H.; Loo, R.; Verheyen, P.; Vandervorst, W.; Caymax, M.; Gijbels, R. doi  openurl
  Title XPS and TOFSIMS studies of shallow Si/Si1-xGex/Si layers Type A1 Journal article
  Year 1999 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films  
  Volume 343/344 Issue Pages 583-586  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam : Elsevier Editor  
  Language Wos 000081103100149 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.879 Times cited 1 Open Access (up)  
  Notes Approved Most recent IF: 1.879; 1999 IF: 1.101  
  Call Number UA @ lucian @ c:irua:24934 Serial 3926  
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Author de Witte, H.; Conard, T.; Sporken, R.; Gouttebaron, R.; Magnee, R.; Vandervorst, W.; Caudano, R.; Gijbels, R. openurl 
  Title XPS study of ion induced oxidation of silicon with and without oxygen flooding Type P3 Proceeding
  Year 2000 Publication Abbreviated Journal  
  Volume Issue Pages 73-76  
  Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Elsevier Place of Publication Amsterdam Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:34079 Serial 3927  
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Author Carvalho, J.C.N.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M. url  doi
openurl 
  Title Yukawa particles confined in a channel and subject to a periodic potential : ground state and normal modes Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 83 Issue 9 Pages 094109-094109,12  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We consider a classical system of two-dimensional (2D) charged particles, interacting through a repulsive Yukawa potential exp(-r/λ)/r, and confined in a parabolic channel that limits the motion of the particles in the y direction. Along the x direction, the particles are subject to a periodic potential. The ground-state configurations and the normal-mode spectra of the system are obtained as a function of the periodicity and strength of the periodic potential (V0) and density. An interesting set of tunable ground-state configurations are found, with first- or second-order structural transitions between them. A configuration with particles aligned, perpendicular to the x direction, in each minimum of the periodic potential is obtained for V0 larger than some critical value that has a power-law dependence on the density. The phonon spectrum of different configurations was also calculated. A localization of the modes into a small frequency interval is observed for sufficiently large strength of the periodic potential, and a tunable gap in the phonon spectrum is found as a function of V0.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000288119700001 Publication Date 2011-03-08  
  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 9 Open Access (up)  
  Notes ; This work was supported by the Brazilian agencies CNPq and FUNCAP (PRONEX-Grant), and the bilateral projects between Flanders and Brazil and the Flemish Science Foundation (FWO-VI) and CNPq. ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:88779 Serial 3928  
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Author Vandenberghe, W.; Sorée, B.; Magnus, W.; Groeseneken, G. doi  openurl
  Title Zener tunneling in semiconductors under nonuniform electric fields Type A1 Journal article
  Year 2010 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 107 Issue 5 Pages 054520,1-054520,7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recently, a renewed interest in Zener tunneling has arisen because of its increasing impact on semiconductor device performance at nanometer dimensions. In this paper we evaluate the tunnel probability under the action of a nonuniform electric field using a two-band model and arrive at significant deviations from the commonly used Kanes model, valid for weak uniform fields only. A threshold on the junction bias where Kanes model for Zener tunneling breaks down is determined. Comparison with Kanes model particularly shows that our calculation yields a higher tunnel probability for intermediate electric fields and a lower tunnel probability for high electric fields. When performing a current calculation comparing to the WKB approximation for the case of an abrupt p-n junction significant differences concerning the shape of the I-V curve are demonstrated.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000275657500136 Publication Date 2010-03-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 22 Open Access (up)  
  Notes ; William Vandenberghe gratefully acknowledges the support of a Ph. D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). These authors acknowledge the support from IMEC's Industrial Affiliation Program and the authors would like to thank Anne Verhulst for useful comments. ; Approved Most recent IF: 2.068; 2010 IF: 2.079  
  Call Number UA @ lucian @ c:irua:82450 Serial 3929  
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Author Kremer, S.P.B.; Kirschhock, C.E.A.; Aerts, A.; Aerts, C.A.; Houthoofd, K.J.; Grobet, P.J.; Jacobs, P.A.; Lebedev, O.I.; Van Tendeloo, G.; Martens, J.A. pdf  doi
openurl 
  Title Zeotile-2: a microporous analogue of MCM-48 Type A1 Journal article
  Year 2005 Publication Solid state sciences Abbreviated Journal Solid State Sci  
  Volume 7 Issue 7 Pages 861-867  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000230259500006 Publication Date 2005-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1293-2558; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.811 Times cited 10 Open Access (up)  
  Notes Approved Most recent IF: 1.811; 2005 IF: 1.708  
  Call Number UA @ lucian @ c:irua:54702 Serial 3931  
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Author Afanasov, I.M.; Van Tendeloo, G. doi  openurl
  Title Zirconia-modified exfoliated graphite Type A1 Journal article
  Year 2011 Publication Inorganic materials Abbreviated Journal Inorg Mater+  
  Volume 47 Issue 6 Pages 603-608  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Zirconia has been incorporated into exfoliated graphite (EG) through the anodic polarization in the natural graphite-ZrO(NO3)2-HNO3-H2O system, followed by flash heating. The thermal properties of the oxidized graphites employed as precursors to EG have been studied by thermogravimetry in combination with differential scanning calorimetry, and the distribution of ZrO2 particles in the EG has been assessed by scanning and transmission electron microscopy. Conditions are described for the preparation of EG with bulk densities in the range 1.34.7 g/l and ZrO2 contents in the range 434 wt %.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000291698100008 Publication Date 2011-05-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1685;1608-3172; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 0.62 Times cited Open Access (up)  
  Notes Approved Most recent IF: 0.62; 2011 IF: 0.414  
  Call Number UA @ lucian @ c:irua:90447 Serial 3933  
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Author Seftel, E.M.; Popovici, E.; Mertens, M.; de Witte, K.; Van Tendeloo, G.; Cool, P.; Vansant, E.F. doi  openurl
  Title Zn-Al layered double hydroxides: synthesis, characterization and photocatalytic application Type A1 Journal article
  Year 2008 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat  
  Volume 113 Issue 1/3 Pages 296-304  
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000257362100035 Publication Date 2007-12-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.615 Times cited 154 Open Access (up)  
  Notes Approved Most recent IF: 3.615; 2008 IF: 2.555  
  Call Number UA @ lucian @ c:irua:68281 Serial 3934  
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Author Bekermann, D.; Gasparotto, A.; Barreca, D.; Devi, A.; Fischer, R.A.; Kete, M.; Štangar, U.L.; Lebedev, O.I.; Maccato, C.; Tondello, E.; Van Tendeloo, G. pdf  doi
openurl 
  Title ZnO nanorod arrays by plasma-enhanced CVD for light-activated functional applications Type A1 Journal article
  Year 2010 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem  
  Volume 11 Issue 11 Pages 2337-2340  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Switch of the surface properties: Supported ZnO nanorod arrays with tailored roughness and aspect ratios are successfully synthesized by plasma-enhanced chemical vapor deposition. Such nanostructures exhibit significant superhydrophilic and photocatalytic properties tunable as a function of their morphological organization (see picture). This renders them promising building blocks for the fabrication of stimuli-responsive materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000281061500008 Publication Date 2010-06-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1439-4235;1439-7641; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.075 Times cited 38 Open Access (up)  
  Notes Esteem 026019 Approved Most recent IF: 3.075; 2010 IF: 3.340  
  Call Number UA @ lucian @ c:irua:84594 Serial 3935  
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Author Esken, D.; Noei, H.; Wang, Y.; Wiktor, C.; Turner, S.; Van Tendeloo, G.; Fischer, R.A. pdf  doi
openurl 
  Title ZnO@ZIF-8 : stabilization of quantum confined ZnO nanoparticles by a zinc methylimidazolate framework and their surface structural characterization probed by CO2 adsorption Type A1 Journal article
  Year 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem  
  Volume 21 Issue 16 Pages 5907-5915  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The microporous and activated zeolitic imidazolate framework (Zn(MeIM)2; MeIM = imidazolate-2-methyl; ZIF-8) was loaded with the MOCVD precursor diethyl zinc [Zn(C2H5)2]. Exposure of ZIF-8 to the vapour of the volatile organometallic molecule resulted in the formation of the inclusion compound [Zn(C2H5)2]0.38@ZIF-8 revealing two precursor molecules per cavity. In a second step the obtained material was treated with oxygen (5 vol% in argon) at various temperatures (oxidative annealing) to achieve the composite material ZnO0.35@ZIF-8. The new material was characterized with powder XRD, FT-IR, UV-vis, solid state NMR, elemental analysis, N2 sorption measurements, and transmission electron microscopy. The data give evidence for the presence of nano-sized ZnO particles stabilized by ZIF-8 showing a blue-shift of the UV-vis absorption caused by quantum size effect (QSE). The surface structure and reactivity of embedded ZnO nanoparticles were characterized via carbon dioxide adsorption at different temperatures monitored by ultra-high vacuum FTIR techniques. It was found that the surface of ZnO nanoparticles is dominated by polar OZnO and ZnZnO facets as well as by defect sites, which all exhibit high reactivity towards CO2 activation forming various adsorbed carbonate and chemisorbed CO2δ− species.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000289260000012 Publication Date 2011-03-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 76 Open Access (up)  
  Notes Esteem 026019 Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:88641 Serial 3936  
Permanent link to this record
 

 
Author Vannier, R.-N.; Théry, O.; Kinowski, C.; Huvé, M.; Van Tendeloo, G.; Suard, E.; Abraham, F. pdf  doi
openurl 
  Title Zr substituted bismuth uranate Type A1 Journal article
  Year 1999 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem  
  Volume 9 Issue Pages 435-443  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000078572900019 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 4 Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:29714 Serial 3937  
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Author Schoeters, B. openurl 
  Title An ab initio study of the properties of doped semiconducting nanwires Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:128354 Serial 4133  
Permanent link to this record
 

 
Author Aierken, Y.; Leenaerts, O.; Peeters, F.M. pdf  url
doi  openurl
  Title A first-principles study of stable few-layer penta-silicene Type A1 Journal article
  Year 2016 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 18 Issue 18 Pages 18486-18492  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recently penta-graphene was proposed as a stable two-dimensional carbon allotrope consisting of a single layer of interconnected carbon pentagons [Zhang et al., PNAS, 2015, 112, 2372]. Its silicon counterpart, penta-silicene, however, is not stable. In this work, we show that multilayers of penta-silicene form stable materials with semiconducting or metallic properties, depending on the stacking mode. We demonstrate their dynamic stability through their phonon spectrum and using molecular dynamics. A particular type of bilayer penta-silicene is found to have lower energy than all of the known hexagonal silicene bilayers and forms therefore the most stable bilayer silicon material predicted so far. The electronic and mechanical properties of these new silicon allotropes are studied in detail and their behavior under strain is investigated. We demonstrate that strain can be used to tune its band gap.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000379486200077 Publication Date 2016-06-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 42 Open Access (up)  
  Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government-department EWI. ; Approved Most recent IF: 4.123  
  Call Number UA @ lucian @ c:irua:134942 Serial 4132  
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Author Verreck, D.; Van de Put, M.L.; Verhulst, A.S.; Sorée, B.; Magnus, W.; Dabral, A.; Thean, A.; Groeseneken, G. url  doi
openurl 
  Title 15-band spectral envelope function formalism applied to broken gap tunnel field-effect transistors Type P1 Proceeding
  Year 2015 Publication 18th International Workshop On Computational Electronics (iwce 2015) Abbreviated Journal  
  Volume Issue Pages  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract A carefully chosen heterostructure can significantly boost the performance of tunnel field-effect transistors (TFET). Modelling of these hetero-TFETs requires a quantum mechanical (QM) approach with an accurate band structure to allow for a correct description of band-to-band-tunneling. We have therefore developed a fully QM 2D solver, combining for the first time a full zone 15-band envelope function formalism with a spectral approach, including a heterostructure basis set transformation. Simulations of GaSb/InAs broken gap TFETs illustrate the wide body capabilities and transparant transmission analysis of the formalism.  
  Address  
  Corporate Author Thesis  
  Publisher Ieee Place of Publication New york Editor  
  Language Wos 000380398200055 Publication Date 2015-10-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-0-692-51523-5 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:134998 Serial 4131  
Permanent link to this record
 

 
Author Paolella, A.; Turner, S.; Bertoni, G.; Hovington, P.; Flacau, R.; Boyer, C.; Feng, Z.; Colombo, M.; Marras, S.; Prato, M.; Manna, L.; Guerfi, A.; Demopoulos, G.P.; Armand, M.; Zaghib, K.; url  doi
openurl 
  Title Accelerated removal of Fe-antisite defects while nanosizing hydrothermal LiFePO4 with Ca2+ Type A1 Journal article
  Year 2016 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 16 Issue 16 Pages 2692-2697  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Based on neutron powder diffraction (NPD) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), we show that calcium ions help eliminate the Fe-antisite defects by controlling the nucleation and evolution of the LiFePO4 particles during their hydrothermal synthesis. This Ca-regulated formation of LiFePO4 particles has an overwhelming impact on the removal of their iron antisite defects during the subsequent carbon coating step since (i) almost all the Fe-antisite defects aggregate at the surface of the LiFePO4 crystal when the crystals are small enough and (ii) the concomitant increase of the surface area, which further exposes the Fe-antisite defects. Our results not only justify a low-cost, efficient and reliable hydrothermal synthesis method for LiFePO4 but also provide a promising alternative viewpoint on the mechanism controlling the nanosizing of LiFePO4, which leads to improved electrochemical performances.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000374274600084 Publication Date 2016-03-11  
  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 30 Open Access (up)  
  Notes Approved Most recent IF: 12.712  
  Call Number UA @ lucian @ c:irua:133600 Serial 4134  
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Author Meledina, M. openurl 
  Title Advanced electron microscopy characterization of catalysts Type Doctoral thesis
  Year 2016 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:133788 Serial 4135  
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Author Arsoski, V.V.; Čukarić, N.A.; Tadic, M.Z.; Peeters, F.M. pdf  url
doi  openurl
  Title An efficient finite-difference scheme for computation of electron states in free-standing and core-shell quantum wires Type A1 Journal article
  Year 2015 Publication Computer physics communications Abbreviated Journal Comput Phys Commun  
  Volume 197 Issue 197 Pages 17-26  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electron states in axially symmetric quantum wires are computed by means of the effective-mass Schrodinger equation, which is written in cylindrical coordinates phi, rho, and z. We show that a direct discretization of the Schrodinger equation by central finite differences leads to a non-symmetric Hamiltonian matrix. Because diagonalization of such matrices is more complex it is advantageous to transform it in a symmetric form. This can be done by the Liouville-like transformation proposed by Rizea et al. (2008), which replaces the wave function psi(rho) with the function F(rho) = psi(rho)root rho and transforms the Hamiltonian accordingly. Even though a symmetric Hamiltonian matrix is produced by this procedure, the computed wave functions are found to be inaccurate near the origin, and the accuracy of the energy levels is not very high. In order to improve on this, we devised a finite-difference scheme which discretizes the Schrodinger equation in the first step, and then applies the Liouville-like transformation to the difference equation. Such a procedure gives a symmetric Hamiltonian matrix, resulting in an accuracy comparable to the one obtained with the finite element method. The superior efficiency of the new finite-difference scheme (FDM) is demonstrated for a few p-dependent one-dimensional potentials which are usually employed to model the electron states in free-standing and core shell quantum wires. The new scheme is compared with the other FDM schemes for solving the effective-mass Schrodinger equation, and is found to deliver energy levels with much smaller numerical error for all the analyzed potentials. It also gives more accurate results than the scheme of Rizea et al., except for the ground state of an infinite rectangular potential in freestanding quantum wires. Moreover, the PT symmetry is invoked to explain similarities and differences between the considered FDM schemes. (C) 2015 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000362919500003 Publication Date 2015-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0010-4655 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.936 Times cited 4 Open Access (up)  
  Notes ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia (project III 45003) and the Fonds Wetenschappelijk Onderzoek (Belgium). ; Approved Most recent IF: 3.936; 2015 IF: 3.112  
  Call Number UA @ lucian @ c:irua:129412 Serial 4139  
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Author Zhong, R.; Peng, L.; de Clippel, F.; Gommes, C.; Goderis, B.; Ke, X.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. pdf  doi
openurl 
  Title An eco-friendly soft template synthesis of mesostructured silica-carbon nanocomposites for acid catalysis Type A1 Journal article
  Year 2015 Publication ChemCatChem Abbreviated Journal Chemcatchem  
  Volume 7 Issue 7 Pages 3047-3058  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The synthesis of ordered mesoporous silica-carbon composites was explored by employing TEOS and sucrose as the silica and carbon precursor respectively, and the triblock copolymer F127 as a structure-directing agent via an evaporation-induced self-assembly (EISA) process. It is demonstrated that the synthesis procedures allow for control of the textural properties and final composition of these silica-carbon nanocomposites via adjustment of the effective SiO2/C weight ratio. Characterization by SAXS, N-2 physisorption, HRTEM, TGA, and C-13 and Si-29 solid-state MAS NMR show a 2D hexagonal mesostructure with uniform large pore size ranging from 5.2 to 7.6nm, comprising of separate carbon phases in a continuous silica phase. Ordered mesoporous silica and non-ordered porous carbon can be obtained by combustion of the pyrolyzed nanocomposites in air or etching with HF solution, respectively. Sulfonic acid groups can be readily introduced to such kind of silica-carbon nanocomposites by a standard sulfonation procedure with concentrated sulfuric acid. Excellent acid-catalytic activities and selectivities for the dimerization of styrene to produce 1,3-diphenyl-1-butene and dimerization of -methylstyrene to unsaturated dimers were demonstrated with the sulfonated materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000361189400037 Publication Date 2015-09-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1867-3880; 1867-3899 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.803 Times cited 13 Open Access (up)  
  Notes Approved Most recent IF: 4.803; 2015 IF: 4.556  
  Call Number UA @ lucian @ c:irua:127836 Serial 4138  
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Author Moors, K.; Sorée, B.; Magnus, W. url  openurl
  Title Analytic solution of Ando's surface roughness model with finite domain distribution functions Type P1 Proceeding
  Year 2015 Publication 18th International Workshop On Computational Electronics (iwce 2015) Abbreviated Journal  
  Volume Issue Pages  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract Ando's surface roughness model is applied to metallic nanowires and extended beyond small roughness size and infinite barrier limit approximations for the wavefunction overlaps, such as the Prange-Nee approximation. Accurate and fast simulations can still be performed without invoking these overlap approximations by averaging over roughness profiles using finite domain distribution functions to obtain an analytic solution for the scattering rates. The simulations indicate that overlap approximations, while predicting a resistivity that agrees more or less with our novel approach, poorly estimate the underlying scattering rates. All methods show that a momentum gap between left- and right-moving electrons at the Fermi level, surpassing a critical momentum gap, gives rise to a substantial decrease in resistivity.  
  Address  
  Corporate Author Thesis  
  Publisher Ieee Place of Publication New york Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-0-692-51523-5 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:134996 Serial 4140  
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Author Chaves, A.; Low, T.; Avouris, P.; Çakir, D.; Peeters, F.M. url  doi
openurl 
  Title Anisotropic exciton Stark shift in black phosphorus Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 155311  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We calculate the excitonic spectrum of few-layer black phosphorus by direct diagonalization of the effective mass Hamiltonian in the presence of an applied in-plane electric field. The strong attractive interaction between electrons and holes in this system allows one to investigate the Stark effect up to very high ionizing fields, including also the excited states. Our results show that the band anisotropy in black phosphorus becomes evident in the direction-dependent field-induced polarizability of the exciton.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000353459200005 Publication Date 2015-04-27  
  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 88 Open Access (up)  
  Notes ; Discussions with J. M. Pereira Jr. and J. S. de Souza are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq) through the PQ and Science Without Borders programs, the Flemish Science Foundation (FWO-Vl), the Methusalem programme of the Flemish government, and the Bilateral program (CNPq-FWO) between Flanders and Brazil. ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number UA @ lucian @ c:irua:132506 Serial 4141  
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Author Somers, W. openurl 
  Title Atomic scale simulations of the interactions of plasma species on nickel catalyst surfaces Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:127915 Serial 4142  
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Author Guidini, A.; Flammia, L.; Milošević, M.V.; Perali, A. pdf  doi
openurl 
  Title BCS-BEC crossover in quantum confined superconductors Type A1 Journal article
  Year 2016 Publication Journal of superconductivity and novel magnetism Abbreviated Journal J Supercond Nov Magn  
  Volume 29 Issue 29 Pages 711-715  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ultranarrow superconductors are in the strong quantum confinement regime with formation of multiple coherent condensates associated with the many subbands of the electronic structure. Here, we analyze the multiband BCS-BEC crossover induced by the chemical potential tuned close to a subband bottom, in correspondence of a superconducting shape resonance. The evolution of the condensate fraction and of the pair correlation length in the ground state as functions of the chemical potential demonstrates the tunability of the BCS-BEC crossover for the condensate component of the selected subband. The extension of the crossover regime increases when the pairing strength and/or the characteristic energy of the interaction get larger. Our results indicate the coexistence of large and small Cooper pairs in the crossover regime, leading to the optimal parameter configuration for high transition temperature superconductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000371089500034 Publication Date 2015-12-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1557-1939 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.18 Times cited 12 Open Access (up)  
  Notes ; We acknowledge A. Bianconi and A.A. Shanenko for useful discussions. A.P. acknowledges financial support from the University of Camerino under the project FAR “Control and enhancement of superconductivity by engineering materials at the nanoscale”. M.V.M. acknowledges support from the Research Foundation – Flanders (FWO) and the Special Research Funds of the University of Antwerp (BOF-UA). A.P. and M.V.M. acknowledge the collaboration within the MultiSuper International Network (http://www.multisuper.org) for exchange of ideas and suggestions. ; Approved Most recent IF: 1.18  
  Call Number UA @ lucian @ c:irua:132287 Serial 4143  
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Author Bacaksiz, C.; Cahangirov, S.; Rubio, A.; Senger, R.T.; Peeters, F.M.; Sahin, H. url  doi
openurl 
  Title Bilayer SnS2 : tunable stacking sequence by charging and loading pressure Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 125403  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Employing density functional theory-based methods, we investigate monolayer and bilayer structures of hexagonal SnS2, which is a recently synthesized monolayer metal dichalcogenide. Comparison of the 1H and 1T phases of monolayer SnS2 confirms the ground state to be the 1T phase. In its bilayer structure we examine different stacking configurations of the two layers. It is found that the interlayer coupling in bilayer SnS2 is weaker than that of typical transition-metal dichalcogenides so that alternative stacking orders have similar structural parameters and they are separated with low energy barriers. A possible signature of the stacking order in the SnS2 bilayer has been sought in the calculated absorbance and reflectivity spectra. We also study the effects of the external electric field, charging, and loading pressure on the characteristic properties of bilayer SnS2. It is found that (i) the electric field increases the coupling between the layers at its preferred stacking order, so the barrier height increases, (ii) the bang gap value can be tuned by the external E field and under sufficient E field, the bilayer SnS2 can become a semimetal, (iii) the most favorable stacking order can be switched by charging, and (iv) a loading pressure exceeding 3 GPa changes the stacking order. The E-field tunable band gap and easily tunable stacking sequence of SnS2 layers make this 2D crystal structure a good candidate for field effect transistor and nanoscale lubricant applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000371405000005 Publication Date 2016-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 38 Open Access (up)  
  Notes ; The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). C.B., H.S., and R.T.S. acknowledge support from TUBITAK Project No. 114F397. H.S. is supported by an FWO Pegasus Marie Curie Fellowship. S.C. and A.R. acknowledge financial support from the Marie Curie grant FP7-PEOPLE-2013-IEF Project No. 628876, the European Research Council (ERC-2010-AdG-267374), and Spanish grant Grupos Consolidados (IT578-13). S.C. acknowledges support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 115F388. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:132345 Serial 4144  
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Author Kurttepeli, M. url  openurl
  Title Carbon based materials and hybrid nanostructures investigated by advanced transmission electron microscopy Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:130502 Serial 4145  
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Author Hawrylak, P.; Peeters, F.; Ensslin, K. pdf  doi
openurl 
  Title Carbononics : integrating electronics, photonics and spintronics with graphene quantum dots Preface Type Editorial
  Year 2016 Publication Physica status solidi: rapid research letters Abbreviated Journal Phys Status Solidi-R  
  Volume 10 Issue 10 Pages 11-12  
  Keywords Editorial; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Wiley-v c h verlag gmbh Place of Publication Weinheim Editor  
  Language Wos 000368814500002 Publication Date 2016-01-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1862-6254 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.032 Times cited 7 Open Access (up)  
  Notes ; ; Approved Most recent IF: 3.032  
  Call Number UA @ lucian @ c:irua:131600 Serial 4146  
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Author Galvan-Moya; Misko, V.R.; Peeters, F.M. url  doi
openurl 
  Title Chainlike transitions in Wigner crystals : sequential versus nonsequential Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 064112  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The structural transitions of the ground state of a system of repulsively interacting particles confined in a quasi-one-dimensional channel, and the effect of the interparticle interaction as well as the functional form of the confinement potential on those transitions are investigated. Although the nonsequential ordering of transitions (non-SOT), i.e., the 1 – 2 – 4 – 3 – 4 – 5 – 6 – ... sequence of chain configurations with increasing density, is widely robust as predicted in a number of theoretical studies, the sequential ordering of transitions (SOT), i.e., the 1 – 2 – 3 – 4 – 5 – 6 – ... chain, is found as the ground state for long-ranged interparticle interaction and hard-wall-like confinement potentials. We found an energy barrier between every two different phases around its transition point, which plays an important role in the preference of the system to follow either a SOT or a non-SOT. However, that preferential transition requires also the stability of the phases during the transition. Additionally, we analyze the effect of a small structural disorder on the transition between the two phases around its transition point. Our results show that a small deformation of the triangular structure changes dramatically the picture of the transition between two phases, removing in a considerable region the non-SOT in the system. This feature could explain the fact that the non-SOT is, up to now, not observed in experimental systems, and suggests a more advanced experimental setup to detect the non-SOT.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000359859400003 Publication Date 2015-08-21  
  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 3 Open Access (up)  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Odysseus and Methusalem programmes of the Flemish government. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC). ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number UA @ lucian @ c:irua:127753 Serial 4148  
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