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Author Sels, D.; Brosens, F.; Magnus, W. pdf  doi
openurl 
  Title On the path integral representation of the Wigner function and the BarkerMurray ansatz Type A1 Journal article
  Year 2012 Publication Physics letters : A Abbreviated Journal (down) Phys Lett A  
  Volume 376 Issue 6/7 Pages 809-812  
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)  
  Abstract The propagator of the Wigner function is constructed from the WignerLiouville equation as a phase space path integral over a new effective Lagrangian. In contrast to a paper by Barker and Murray (1983) [1], we show that the path integral can in general not be written as a linear superposition of classical phase space trajectories over a family of non-local forces. Instead, we adopt a saddle point expansion to show that the semiclassical Wigner function is a linear superposition of classical solutions for a different set of non-local time dependent forces. As shown by a simple example the specific form of the path integral makes the formulation ideal for Monte Carlo simulation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000301167300005 Publication Date 2012-01-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0375-9601; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.772 Times cited 7 Open Access  
  Notes ; ; Approved Most recent IF: 1.772; 2012 IF: 1.766  
  Call Number UA @ lucian @ c:irua:94006 Serial 2445  
Permanent link to this record
 
 
Author Lamoen, D.; March, N.H. pdf  doi
openurl 
  Title Orientational disorder in some molecular solids in relation to the boson peak in glasses Type A1 Journal article
  Year 2009 Publication Physics letters : A Abbreviated Journal (down) Phys Lett A  
  Volume 373 Issue 7 Pages 799-800  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Orientational disorder in some molecular solids is discussed in relation to the emphasis placed on transverse vibrational modes in glasses as the origin of the observed boson peak in two very recent contributions in Nature Materials. In particular, facts are here presented for (i) CH4, (ii) C60 and (iii) ethanol in their solid phases for (a) specific heat and (b) neutron scattering. The results for ethanol in particular do not fit in with the interpretation of the boson peak in terms of transverse acoustic phonons in disordered systems. Glasses will therefore have to be separated into at least two classes where the physical interpretation of the boson peak is concerned.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000263515500020 Publication Date 2009-01-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0375-9601; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.772 Times cited 3 Open Access  
  Notes Bof Approved Most recent IF: 1.772; 2009 IF: 2.009  
  Call Number UA @ lucian @ c:irua:72917 Serial 2516  
Permanent link to this record
 
 
Author Rouaiguia, L.; Djebli, M.; Peeters, F. doi  openurl
  Title Random charge fluctuation effect on strongly correlated dust particles confined in two dimensions Type A1 Journal article
  Year 2008 Publication Physics letters : A Abbreviated Journal (down) Phys Lett A  
  Volume 372 Issue 24 Pages 4487-4492  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000257203700030 Publication Date 2008-04-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0375-9601; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.772 Times cited 4 Open Access  
  Notes Approved Most recent IF: 1.772; 2008 IF: 2.174  
  Call Number UA @ lucian @ c:irua:69627 Serial 2809  
Permanent link to this record
 
 
Author Kukhlevsky, S.V.; Mechler, M.; Csapo, L.; Janssens, K. doi  openurl
  Title Near-field diffraction of fs and sub-fs pulses: super resolution of NSOM in space and time Type A1 Journal article
  Year 2003 Publication Physics letters : A Abbreviated Journal (down) Phys Lett A  
  Volume 319 Issue Pages 439-447  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000187351800003 Publication Date 2003-11-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0375-9601 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.772 Times cited 10 Open Access  
  Notes Approved Most recent IF: 1.772; 2003 IF: 1.324  
  Call Number UA @ admin @ c:irua:42959 Serial 5744  
Permanent link to this record
 
 
Author Gorlé, C.; Larsson, J.; Emory, M.; Iaccarino, G. pdf  doi
openurl 
  Title The deviation from parallel shear flow as an indicator of linear eddy-viscosity model inaccuracy Type A1 Journal article
  Year 2014 Publication Physics of fluids Abbreviated Journal (down) Phys Fluids  
  Volume 26 Issue 5 Pages 051702  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A marker function designed to indicate in which regions of a generic flow field the results from linear eddy-viscosity turbulence models are plausibly inaccurate is introduced. The marker is defined to identify regions that deviate from parallel shear flow. For two different flow fields it is shown that these regions largely coincide with regions where the prediction of the Reynolds stress divergence is inaccurate. The marker therefore offers a guideline for interpreting results obtained from Reynolds-averaged Navier-Stokes simulations and provides a basis for the further development of turbulence model-form uncertainty quantification methods. (C) 2014 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Woodbury, N.Y. Editor  
  Language Wos 000337103900002 Publication Date 2014-05-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1070-6631;1089-7666; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.232 Times cited 19 Open Access  
  Notes Approved Most recent IF: 2.232; 2014 IF: 2.031  
  Call Number UA @ lucian @ c:irua:118385 Serial 684  
Permanent link to this record
 
 
Author Lemmens, H.; Czank, M.; Van Tendeloo, G.; Amelinckx, S. pdf  doi
openurl 
  Title Defect structure of the low temperature α-cristobalite phase and the cristobalite <-> tridymite transformation in (Si-Ge)O2 Type A1 Journal article
  Year 2000 Publication Physics and chemistry of minerals Abbreviated Journal (down) Phys Chem Miner  
  Volume 27 Issue 6 Pages 386-397  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000087959700004 Publication Date 2002-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0342-1791;1432-2021; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.521 Times cited 5 Open Access  
  Notes Approved Most recent IF: 1.521; 2000 IF: 1.513  
  Call Number UA @ lucian @ c:irua:54725 Serial 622  
Permanent link to this record
 
 
Author van Heurck, C.; Van Tendeloo, G.; Amelinckx, S. doi  openurl
  Title The modulated structure in the melilite CA2ZnGe2O7 Type A1 Journal article
  Year 1992 Publication Physics and chemistry of minerals Abbreviated Journal (down) Phys Chem Miner  
  Volume 8 Issue Pages 441-452  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos A1992HM23200005 Publication Date 2004-08-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0342-1791;1432-2021; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.538 Times cited 19 Open Access  
  Notes Approved CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #  
  Call Number UA @ lucian @ c:irua:4438 Serial 2164  
Permanent link to this record
 
 
Author Petrishcheva, E.; Tiede, L.; Schweinar, K.; Habler, G.; Li, C.; Gault, B.; Abart, R. url  doi
openurl 
  Title Spinodal decomposition in alkali feldspar studied by atom probe tomography Type A1 Journal article
  Year 2020 Publication Physics And Chemistry Of Minerals Abbreviated Journal (down) Phys Chem Miner  
  Volume 47 Issue 7 Pages Unsp 30  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We used atom probe tomography to complement electron microscopy for the investigation of spinodal decomposition in alkali feldspar. To this end, gem-quality alkali feldspar of intermediate composition with a mole fraction of a(K) = 0.43 of the K end-member was prepared from Madagascar orthoclase by ion-exchange with (NaK)Cl molten salt. During subsequent annealing at 550 degrees C and close to ambient pressure the ion-exchanged orthoclase unmixed producing a coherent lamellar intergrowth of Na-rich and K-rich lamellae. The chemical separation was completed, and equilibrium Na-K partitioning between the different lamellae was attained within four days, which was followed by microstructural coarsening. After annealing for 4 days, the wavelength of the lamellar microstructure was approximate to 17 nm and it increased to approximate to 30 nm after annealing for 16 days. The observed equilibrium compositions of the Na-rich and K-rich lamellae are in reasonable agreement with an earlier experimental determination of the coherent solvus. The excess energy associated with compositional gradients at the lamellar interfaces was quantified from the initial wavelength of the lamellar microstructure and the lamellar compositions as obtained from atom probe tomography using the Cahn-Hilliard theory. The capability of atom probe tomography to deliver quantitative chemical compositions at nm resolution opens new perspectives for studying the early stages of exsolution. In particular, it helps to shed light on the phase relations in nm scaled coherent intergrowth.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000540150400001 Publication Date 2020-06-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0342-1791 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.4 Times cited Open Access OpenAccess  
  Notes ; Open access funding provided by Austrian Science Fund (FWF). This project was funded by the FWF Project P28238-N29. KS acknowledges IMPRS-SurMat for funding. Uwe Tezins, Andreas Sturm and Christian Bross are acknowledged for their support at the FIB & APT facilities at MPIE. We gratefully acknowledge the thorough and constructive reviews by Herbert Kroll and Luis Sanchez Munoz, who substantially contributed to improving an earlier version of the manuscript. ; Approved Most recent IF: 1.4; 2020 IF: 1.521  
  Call Number UA @ admin @ c:irua:170208 Serial 6611  
Permanent link to this record
 
 
Author Lamoen, D.; March, N.H. doi  openurl
  Title Gradient expansion and beyond for stress tensor and tangential pressure deficit through a planar liquid-vapour interface Type A1 Journal article
  Year 2000 Publication Physics And Chemistry Of Liquids Abbreviated Journal (down) Phys Chem Liq  
  Volume 38 Issue Pages 495-504  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000087986300011 Publication Date 2007-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.145 Times cited 1 Open Access  
  Notes Approved Most recent IF: 1.145; 2000 IF: 0.267  
  Call Number UA @ lucian @ c:irua:27831 Serial 1362  
Permanent link to this record
 
 
Author Leys, F.E.; March, N.H.; Lamoen, D. doi  openurl
  Title Relativistic virial relations for both homogeneous and spatially varying electron liquids Type A1 Journal article
  Year 2004 Publication Physics And Chemistry Of Liquids Abbreviated Journal (down) Phys Chem Liq  
  Volume 42 Issue Pages 423-431  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000222750800010 Publication Date 2004-07-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record;  
  Impact Factor 1.145 Times cited Open Access  
  Notes Approved Most recent IF: 1.145; 2004 IF: 0.478  
  Call Number UA @ lucian @ c:irua:47379 Serial 2862  
Permanent link to this record
 
 
Author Alonso, J.A.; López, M.J.; March, N.H.; Lamoen, D. doi  openurl
  Title Some properties of a model liquid of C60 buckyballs Type A1 Journal article
  Year 2002 Publication Physics And Chemistry Of Liquids Abbreviated Journal (down) Phys Chem Liq  
  Volume 40 Issue Pages 457  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000178012900008 Publication Date 2004-04-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.145 Times cited 4 Open Access  
  Notes Approved Most recent IF: 1.145; 2002 IF: 0.533  
  Call Number UA @ lucian @ c:irua:41407 Serial 3055  
Permanent link to this record
 
 
Author Matthai, C.C.; March, N.H.; Lamoen, D. pdf  doi
openurl 
  Title Supercooled molecular liquids and the glassy phases of chemically bonded N, P, As, Si and Ge Type A1 Journal article
  Year 2009 Publication Physics and chemistry of liquids Abbreviated Journal (down) Phys Chem Liq  
  Volume 47 Issue 6 Pages 607-613  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Glassy phases which have insulating character exist for a variety of monatomic species. By contrast, until recently, it has been possible to make bulk metallic glasses (BMG) by vitrification only for multicomponent systems. After a relatively brief summary on supercooling of a few molecular liquids, we review some of the recently reported results on molecular assemblies of the series N, P, As and amorphous Si and Ge. Based on these results, we suggest that the transition metals with their directional bonding might be suitable candidates for the production of BMG by vitrification.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000273047400003 Publication Date 2009-11-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.145 Times cited 1 Open Access  
  Notes BoF Approved Most recent IF: 1.145; 2009 IF: 0.580  
  Call Number UA @ lucian @ c:irua:80653 Serial 3376  
Permanent link to this record
 
 
Author Matthai, C.C.; Lamoen, D.; March, N.H. pdf  url
doi  openurl
  Title Melting temperatures and possible precursor plastic phases of CCl4and GeI4as a function of pressure Type A1 Journal article
  Year 2016 Publication Physics and chemistry of liquids Abbreviated Journal (down) Phys Chem Liq  
  Volume 54 Issue 54 Pages 130-134  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The motivation for the present study is to be found in the recent experiments of Fuchizaki and Hamaya on GeI4. They observed a rapid increase in the melting temperature Tm in going from atmospheric pressure to p ~ 2.6 GPa. Tm was found to be largely independent of pressure above this value. In this paper, heuristic arguments are presented to support the idea that until some critical pressure, a crystalline phase of SnI4, CCl4 and GeI4 molecular solids melts into a low density liquid. However, at this critical pressure, a phase boundary intersects Tm(p), separating a low density liquid phase from a high density liquid. The new phase boundary is between the crystal and an amorphous molecular solid with increasing polymerisation as the pressure is increased.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000365724100012 Publication Date 2015-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9104 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.145 Times cited Open Access  
  Notes NHM wishes to thank Professors D. Lamoen and C. Van Alsenoy for making possible the continuing affiliation of Approved Most recent IF: 1.145  
  Call Number c:irua:130190 Serial 4029  
Permanent link to this record
 
 
Author Fredrickx, P.; Schryvers, D.; Janssens, K. openurl 
  Title Nanoscale morphology of a piece of ruby red Kunckel glass Type A1 Journal article
  Year 2002 Publication Physics and chemistry of glasses Abbreviated Journal (down) Phys Chem Glasses  
  Volume 43 Issue 4 Pages 176-183  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Sheffield Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9090 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:40020 Serial 2268  
Permanent link to this record
 
 
Author Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. pdf  doi
openurl 
  Title An electric field tunable energy band gap at silicene/(0001) ZnS interfaces Type A1 Journal article
  Year 2013 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 15 Issue 11 Pages 3702-3705  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The interaction of silicene, the silicon counterpart of graphene, with (0001) ZnS surfaces is investigated theoretically, using first-principles simulations. The charge transfer occurring at the silicene/(0001) ZnS interface leads to the opening of an indirect energy band gap of about 0.7 eV in silicene. Remarkably, the nature (indirect or direct) and magnitude of the energy band gap of silicene can be controlled by an external electric field: the energy gap is predicted to become direct for electric fields larger than about 0.5 V angstrom(-1), and the direct energy gap decreases approximately linearly with the applied electric field. The predicted electric field tunable energy band gap of the silicene/(0001) ZnS interface is very promising for its potential use in nanoelectronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000315165100002 Publication Date 2013-01-29  
  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 74 Open Access  
  Notes Approved Most recent IF: 4.123; 2013 IF: 4.198  
  Call Number UA @ lucian @ c:irua:107702 Serial 94  
Permanent link to this record
 
 
Author Çakir, D.; Sahin, H.; Peeters, F.M. pdf  doi
openurl 
  Title Doping of rhenium disulfide monolayers : a systematic first principles study Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal (down) 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 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  
Permanent link to this record
 
 
Author Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.; Volety, K.; Huyberechts, G.; Paul, J. pdf  doi
openurl 
  Title High throughput first-principles calculations of bixbyite oxides for TCO applications Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 16 Issue 33 Pages 17724-17733  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We present a high-throughput computing scheme based on density functional theory (DFT) to generate a class of oxides and screen them with the aim of identifying those that might be electronically appropriate for transparent conducting oxide (TCO) applications. The screening criteria used are a minimum band gap to ensure sufficient transparency, a band edge alignment consistent with easy n- or p-type dopability, and a minimum thermodynamic phase stability to be experimentally synthesizable. Following this scheme we screened 23 binary and 1518 ternary bixbyite oxides in order to identify promising candidates, which can then be a subject of an in-depth study. The results for the known TCOs are in good agreement with the reported data in the literature. We suggest a list of several new potential TCOs, including both n- and p-type compounds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000341064800041 Publication Date 2014-07-07  
  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 23 Open Access  
  Notes ; We gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project (IWT-n 080023), the FWO-Vlaanderen through project G.0150.13 and a GOA fund from the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation and the Flemish Government (EWI Department). ; Approved Most recent IF: 4.123; 2014 IF: 4.493  
  Call Number UA @ lucian @ c:irua:118263 Serial 1469  
Permanent link to this record
 
 
Author Neyts, E.; Bogaerts, A. doi  openurl
  Title Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study Type A1 Journal article
  Year 2006 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 8 Issue 17 Pages 2066-2071  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000236970300011 Publication Date 2006-03-20  
  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 7 Open Access  
  Notes Approved Most recent IF: 4.123; 2006 IF: 2.892  
  Call Number UA @ lucian @ c:irua:57353 Serial 1625  
Permanent link to this record
 
 
Author Ahenach, J.; Cool, P.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. doi  openurl
  Title Influence of water on the pillaring of montmorillonite with aminopropyltriethoxysilane Type A1 Journal article
  Year 1999 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 1 Issue Pages 3703-3708  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000081765300046 Publication Date 2002-07-26  
  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 10 Open Access  
  Notes Approved Most recent IF: 4.123; 1999 IF: NA  
  Call Number UA @ lucian @ c:irua:28250 Serial 1660  
Permanent link to this record
 
 
Author Aerts, A.; Follens, L.R.A.; Biermans, E.; Bals, S.; Van Tendeloo, G.; Loppinet, B.; Kirschhock, C.E.A.; Martens, J.A. pdf  doi
openurl 
  Title Modelling of synchrotron SAXS patterns of silicalite-1 zeolite during crystallization Type A1 Journal article
  Year 2011 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 13 Issue 10 Pages 4318-4325  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Synchrotron small angle X-ray scattering (SAXS) was used to characterize silicalite-1 zeolite crystallization from TEOS/TPAOH/water clear sol. SAXS patterns were recorded over a broad range of length scales, enabling the simultaneous monitoring of nanoparticles and crystals occurring at various stages of the synthesis. A simple two-population model accurately described the patterns. Nanoparticles were modeled by polydisperse coreshell spheres and crystals by monodisperse oblate ellipsoids. These models were consistent with TEM images. The SAXS results, in conjunction with in situ light scattering, showed that nucleation of crystals occurred in a short period of time. Crystals were uniform in size and shape and became increasingly anisotropic during growth. In the presence of nanoparticles, crystal growth was fast. During crystal growth, the number of nanoparticles decreased gradually but their size was constant. These observations suggested that the nanoparticles were growth units in an aggregative crystal growth mechanism. Crystals grown in the presence of nanoparticles developed a faceted habit and intergrowths. In the final stages of growth, nanoparticles were depleted. Concurrently, the crystal growth rate decreased significantly.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000287584700017 Publication Date 2011-01-24  
  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 22 Open Access  
  Notes Fwo; Iap; Esteem 026019 Approved Most recent IF: 4.123; 2011 IF: 3.573  
  Call Number UA @ lucian @ c:irua:87602 Serial 2155  
Permanent link to this record
 
 
Author Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. pdf  url
doi  openurl
  Title Native point defects in CuIn1-xGaxSe2 : hybrid density functional calculations predict the origin of p- and n-type conductivity Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 16 Issue 40 Pages 22299-22308  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We have performed a first-principles study of the p- and n-type conductivity in CuIn1−xGaxSe2 due to native point defects, based on the HSE06 hybrid functional. Band alignment shows that the band gap becomes larger with x due to the increasing conduction band minimum, rendering it hard to establish n-type conductivity in CuGaSe2. From the defect formation energies, we find that In/GaCu is a shallow donor, while VCu, VIn/Ga and CuIn/Ga act as shallow acceptors. Using the total charge neutrality of ionized defects and intrinsic charge carriers to determine the Fermi level, we show that under In-rich growth conditions InCu causes strongly n-type conductivity in CuInSe2. Under increasingly In-poor growth conditions, the conductivity type in CuInSe2 alters to p-type and compensation of the acceptors by InCu reduces, as also observed in photoluminescence experiments. In CuGaSe2, the native acceptors pin the Fermi level far away from the conduction band minimum, thus inhibiting n-type conductivity. On the other hand, CuGaSe2 shows strong p-type conductivity under a wide range of Ga-poor growth conditions. Maximal p-type conductivity in CuIn1−xGaxSe2 is reached under In/Ga-poor growth conditions, in agreement with charge concentration measurements on samples with In/Ga-poor stoichiometry, and is primarily due to the dominant acceptor CuIn/Ga.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000343072800042 Publication Date 2014-09-05  
  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 43 Open Access  
  Notes ; We gratefully acknowledge financial support from the science fund FWO-Flanders through project G.0150.13. 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). We also like to thank Prof. S. Siebentritt of the University of Luxembourg for a presentation of her work on GIGS during a visit to our research group and for helpful discussions of our results. ; Approved Most recent IF: 4.123; 2014 IF: 4.493  
  Call Number UA @ lucian @ c:irua:120465 Serial 2284  
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Author Verberck, B.; Okazaki, T.; Tarakina, N.V. doi  openurl
  Title Ordered and disordered packing of coronene molecules in carbon nanotubes Type A1 Journal article
  Year 2013 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 15 Issue 41 Pages 18108-18114  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Monte Carlo simulations of coronene molecules in single-walled carbon nanotubes (SWCNTs) and dicoronylene molecules in SWCNTs are performed. Depending on the diameter D of the encapsulating SWCNT, regimes favoring the formation of ordered, one-dimensional (1D) stacks of tilted molecules (D <= 1.7 nm for coronene@SWCNT, 1.5 nm <= D <= 1.7 nm for dicoronylene@SWCNT) and regimes with disordered molecular arrangements and increased translational mobilities enabling the thermally induced polymerization of neighboring molecules resulting in the formation of graphene nanoribbons (GNRs) are observed. The results show that the diameter of the encapsulating nanotube is a crucial parameter for the controlled synthesis of either highly ordered 1D structures or GNR precursors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000325400600045 Publication Date 2013-09-05  
  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 9 Open Access  
  Notes ; B.V. is a Postdoctoral Fellow of the Research Foundation Flanders (FWO-VI). N.V.T. acknowledges funding by the Bavarian Ministry of Sciences, Research and the Arts. ; Approved Most recent IF: 4.123; 2013 IF: 4.198  
  Call Number UA @ lucian @ c:irua:112212 Serial 2502  
Permanent link to this record
 
 
Author Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  Title The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 16 Issue 6 Pages 2588-2596  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract ZnM2O4 (M = Co, Rh, Ir) spinels are considered as a class of potential p-type transparent conducting oxides (TCOs). We report the formation energy of acceptor-like defects using first principles calculations with an advanced hybrid exchange-correlation functional (HSE06) within density functional theory (DFT). Due to the discrepancies between the theoretically obtained band gaps with this hybrid functional and the – scattered – experimental results, we also perform GW calculations to support the validity of the description of these spinels with the HSE06 functional. The considered defects are the cation vacancy and antisite defects, which are supposed to be the leading source of disorder in the spinel structures. We also discuss the band alignments in these spinels. The calculated formation energies indicate that the antisite defects ZnM (Zn replacing M, M = Co, Rh, Ir) and VZn act as shallow acceptors in ZnCo2O4, ZnRh2O4 and ZnIr2O4, which explains the experimentally observed p-type conductivity in those systems. Moreover, our systematic study indicates that the ZnIr antisite defect has the lowest formation energy in the group and it corroborates the highest p-type conductivity reported for ZnIr2O4 among the group of ZnM2O4 spinels. To gain further insight into factors affecting the p-type conductivity, we have also investigated the formation of localized small polarons by calculating the self-trapping energy of the holes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000329926700040 Publication Date 2013-12-03  
  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 47 Open Access  
  Notes Fwo; Goa; Hercules Approved Most recent IF: 4.123; 2014 IF: 4.493  
  Call Number UA @ lucian @ c:irua:114829 Serial 2525  
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Author Sliem, M.A.; Turner, S.; Heeskens, D.; Kalidindi, S.B.; Van Tendeloo, G.; Muhler, M.; Fischer, R.A. pdf  doi
openurl 
  Title Preparation, microstructure characterization and catalytic performance of Cu/ZnO and ZnO/Cu composite nanoparticles for liquid phase methanol synthesis Type A1 Journal article
  Year 2012 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 14 Issue 22 Pages 8170-8178  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Stearate@Cu/ZnO nanocomposite particles with molar ratios of ZnO ∶ Cu = 2 and 5 are synthesized by reduction of the metalorganic Cu precursor [Cu{(OCH(CH3)CH2N(CH3)2)}2] in the presence of stearate@ZnO nanoparticles. In the case of ZnO ∶ Cu = 5, high-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM) combined with electron-energy-loss-spectroscopy (EELS) as well as attenuated total reflection Fourier transform infrared (ATR-IR) spectroscopy are used to localize the small amount of Cu deposited on the surface of 35 nm sized stearate@ZnO particles. For ZnO ∶ Cu = 2, the microstructure of the nanocomposites after catalytic activity testing is characterized by HAADF-STEM techniques. This reveals the construction of large Cu nanoparticles (2050 nm) decorated by small ZnO nanoparticles (35 nm). The catalytic activity of both composites for the synthesis of methanol from syn gas is evaluated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000304102200033 Publication Date 2012-04-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 16 Open Access  
  Notes Fwo Approved Most recent IF: 4.123; 2012 IF: 3.829  
  Call Number UA @ lucian @ c:irua:98377 Serial 2702  
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Author Piedigrosso, P.; Konya, Z.; Colomer, J.-F.; Fonseca, A.; Van Tendeloo, G.; Nagy, J.B. pdf  url
doi  openurl
  Title Production of differently shaped multi-wall carbon nanotubes using various cobalt supported catalysts Type A1 Journal article
  Year 2000 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 2 Issue 1 Pages 163-170  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Catalytic synthesis and transmission electron microscopy (TEM) of multi-wall carbon nanotubes are presented. Silica, zeolite and alumina supported cobalt catalysts were prepared by different methods (impregnation and ion-adsorption precipitation) and were used to produce nanotubes. The synthesis was carried out in a fixed bed flow reactor and the process was optimized in order to produce carbon nanotubes on a gram scale. The influence of various parameters such as the method of catalyst preparation, the nature of the support, cobalt concentration and reaction conditions on the formation of nanotubes was investigated. The carbon deposits were measured and the quality of nanotubes was determined by low and high resolution TEM. Multi-wall straight and coiled nanotubes were found to be fairly regular with an average inner (outer) diameter of 4-7 nm (8-23 nm) and with lengths up to 0.1 mm.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000084333800025 Publication Date 2002-07-26  
  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 53 Open Access  
  Notes Approved Most recent IF: 4.123; 2000 IF: 1.653  
  Call Number UA @ lucian @ c:irua:102889 Serial 2723  
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Author Brito, B.G.A.; Hai, G.-Q.; Teixeira Rabelo, J.N.; Cândido, L. pdf  doi
openurl 
  Title A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 – (M = Li, Na, K, Rb, Cu, Ag and Au) Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 16 Issue 18 Pages 8639-8645  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using fixed-node diffusion quantum Monte Carlo (FN-DMC) simulation we investigate the electron correlation in all-metal aromatic clusters MAl4- (with M = Li, Na, K, Rb, Cu, Ag and Au). The electron detachment energies and electron affinities of the clusters are obtained. The vertical electron detachment energies obtained from the FN-DMC calculations are in very good agreement with the available experimental results. Calculations are also performed within the Hartree-Fock approximation, density-functional theory (DFT), and the couple-cluster (CCSD(T)) method. From the obtained results, we analyse the impact of the electron correlation effects in these bimetallic clusters and find that the correlation of the valence electrons contributes significantly to the detachment energies and electron affinities, varying between 20% and 50% of their total values. Furthermore, we discuss the electron correlation effects on the stability of the clusters as well as the accuracy of the DFT and CCSD(T) calculations in the present systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000334602900052 Publication Date 2014-03-21  
  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 10 Open Access  
  Notes ; This research was supported by CNPq, FAPESP and FAPEG (Brazil). ; Approved Most recent IF: 4.123; 2014 IF: 4.493  
  Call Number UA @ lucian @ c:irua:117247 Serial 2781  
Permanent link to this record
 
 
Author Çakir, D.; Kecik, D.; Sahin, H.; Durgun, E.; Peeters, F.M. pdf  doi
openurl 
  Title Realization of a p-n junction in a single layer boron-phosphide Type A1 Journal article
  Year 2015 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 17 Issue 17 Pages 13013-13020  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional (2D) materials have attracted growing interest due to their potential use in the next generation of nanoelectronic and optoelectronic applications. On the basis of first-principles calculations based on density functional theory, we first investigate the electronic and mechanical properties of single layer boron phosphide (h-BP). Our calculations show that h-BP is a mechanically stable 2D material with a direct band gap of 0.9 eV at the K-point, promising for both electronic and optoelectronic applications. We next investigate the electron transport properties of a p-n junction constructed from single layer boron phosphide (h-BP) using the non-equilibrium Green's function formalism. The n-and p-type doping of BP are achieved by substitutional doping of B with C and P with Si, respectively. C(Si) substitutional doping creates donor (acceptor) states close to the conduction (valence) band edge of BP, which are essential to construct an efficient p-n junction. By modifying the structure and doping concentration, it is possible to tune the electronic and transport properties of the p-n junction which exhibits not only diode characteristics with a large current rectification but also negative differential resistance (NDR). The degree of NDR can be easily tuned via device engineering.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000354195300065 Publication Date 2015-04-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 104 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government and the Bilateral program FWO-TUBITAK (under the Project No. 113T050) between Flanders and Turkey. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. H.S. is supported by a FWO Pegasus Marie Curie-long Fellowship. E.D. acknowledges support from Bilim Akademisi – The Science Academy, Turkey under the BAGEP program. ; Approved Most recent IF: 4.123; 2015 IF: 4.493  
  Call Number c:irua:126394 Serial 2835  
Permanent link to this record
 
 
Author Hermans, I.; Breynaert, E.; Poelman, H.; de Gryse, R.; Liang, D.; Van Tendeloo, G.; Maes, A.; Peeters, J.; Jacobs, P. doi  openurl
  Title Silica-supported chromium oxide: colloids as building blocks Type A1 Journal article
  Year 2007 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 9 Issue 39 Pages 5382-5386  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000249925500022 Publication Date 2007-10-03  
  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 8 Open Access  
  Notes Approved Most recent IF: 4.123; 2007 IF: 3.343  
  Call Number UA @ lucian @ c:irua:66752 Serial 3000  
Permanent link to this record
 
 
Author Schoeters, B.; Neyts, E.C.; Khalilov, U.; Pourtois, G.; Partoens, B. url  doi
openurl 
  Title Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study Type A1 Journal article
  Year 2013 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 15 Issue 36 Pages 15091-15097  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Modeling the oxidation process of silicon nanowires through reactive force field based molecular dynamics simulations suggests that the formation of Si epoxide defects occurs both at the Si/SiOx interface and at the nanowire surface, whereas for flat surfaces, this defect is experimentally observed to occur only at the interface as a result of stress. In this paper, we argue that the increasing curvature stabilizes the defect at the nanowire surface, as suggested by our density functional theory calculations. The latter can have important consequences for the opto-electronic properties of thin silicon nanowires, since the epoxide induces an electronic state within the band gap. Removing the epoxide defect by hydrogenation is expected to be possible but becomes increasingly difficult with a reduction of the diameter of the nanowires.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000323520600029 Publication Date 2013-07-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 3 Open Access  
  Notes ; BS gratefully acknowledges financial support of the IWT, Institute for the Promotion of Innovation by Science and Technology in Flanders, via the SBO project “SilaSol”. This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish government and the Universiteit Antwerpen. ; Approved Most recent IF: 4.123; 2013 IF: 4.198  
  Call Number UA @ lucian @ c:irua:110793 Serial 3130  
Permanent link to this record
 
 
Author Huang, W.; Zhang, X.-B.; Tu, J.; Kong, F.; Ning, Y.; Xu, J.; Van Tendeloo, G. pdf  doi
openurl 
  Title Synthesis and characterization of graphite nanofibers deposited on nickel foams Type A1 Journal article
  Year 2002 Publication Physical chemistry, chemical physics Abbreviated Journal (down) Phys Chem Chem Phys  
  Volume 4 Issue 21 Pages 5325-5329  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Nickel foams were used as catalysts to dissociate acetylene and deposit carbon atoms. Graphite nanofibers with distinct structures were developed at 550degreesC with nickel foams pretreated with hydrogen. HREM observations showed that the graphite layers of the nanofibers were aligned at a certain angle to the fiber axis. It is suggested that hydrogen treatment and metal catalysts have a tremendous impact on the yields and microstructures of the graphite nanofibers. The growth mechanism of these fish-bone graphite nanofibers is also discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000178635300016 Publication Date 2002-10-17  
  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 20 Open Access  
  Notes Approved Most recent IF: 4.123; 2002 IF: 1.838  
  Call Number UA @ lucian @ c:irua:94938 Serial 3411  
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