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Author Michel, K.H. doi  openurl
  Title Sequence of orientational phase transitions in solid C60 Type A1 Journal article
  Year 1992 Publication (down) Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 193 Issue Pages 478-480  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1992HZ32900006 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 14 Open Access  
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #  
  Call Number UA @ lucian @ c:irua:2971 Serial 2985  
Permanent link to this record
 
 
Author Massobrio, C.; Djimbi, D.M.; Matsubara, M.; Scipioni, R.; Boero, M. doi  openurl
  Title Stability of Ge12C48 and Ge20C40 heterofullerenes : a first principles molecular dynamics study Type A1 Journal article
  Year 2013 Publication (down) Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 556 Issue Pages 163-167  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract By using first-principles molecular dynamics, we address the issue of structural stability for the C-60 Ge-m(m) family of doped heterofullerenes through a set of calculations targeting C48Ge12 and C40Ge20. Three kinds of theoretical tools are employed: (a) static structural optimization, (b) a bonding analysis based on localized orbitals (Wannier wavefunctions and centers) and (c) first-principles molecular dynamics at finite temperature. This latter tool allows concluding that the segregated form of C40Ge20 is less stable than its Si-based counterpart. However, the non-segregated forms of C40Ge20 and C40Si20 have comparable stabilities at finite temperatures. (C) 2012 Elsevier B. V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000313644100032 Publication Date 2012-11-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.815 Times cited 3 Open Access  
  Notes Approved Most recent IF: 1.815; 2013 IF: 1.991  
  Call Number UA @ lucian @ c:irua:110085 Serial 3132  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.; Almlöf, J. doi  openurl
  Title Structure and infrared spectroscopy of the C11 molecule Type A1 Journal article
  Year 1991 Publication (down) Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 187 Issue Pages 367-386  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1991GX46000005 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 42 Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:718 Serial 3281  
Permanent link to this record
 
 
Author Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title The structure, energetics, and harmonic vibrations of B3N Type A1 Journal article
  Year 1993 Publication (down) Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 201 Issue Pages 54-58  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1993KF37900010 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 20 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:6145 Serial 3302  
Permanent link to this record
 
 
Author Martin, J.M.L.; El-Yazal, J.; François, J.P.; Gijbels, R. doi  openurl
  Title Structures and thermochemistry of B3N3 and B4N4 Type A1 Journal article
  Year 1995 Publication (down) Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 232 Issue Pages 289-294  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1995QC33700018 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 35 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:12278 Serial 3320  
Permanent link to this record
 
 
Author Ivanov, V.; Nagy, J.B.; Lambin, P.; Lucas, A.; Zhang, X.B.; Zhang, X.F.; Bernaerts, D.; Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J. openurl 
  Title The study of carbon nanotubes produced by catalytic method Type A1 Journal article
  Year 1994 Publication (down) Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 223 Issue Pages 329-335  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1994NT08000011 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 405 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:10002 Serial 3326  
Permanent link to this record
 
 
Author Bittencourt, C.; Ke, X.; Van Tendeloo, G.; Thiess, S.; Drube, W.; Ghijsen, J.; Ewels, C.P. pdf  doi
openurl 
  Title Study of the interaction between copper and carbon nanotubes Type A1 Journal article
  Year 2012 Publication (down) Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 535 Issue Pages 80-83  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Copper deposited by thermal evaporation onto pristine and oxygen plasma treated carbon nanotubes (CNTs) diffuse over the CNT surface, coalescing and forming crystalline islands. The nucleation sites of the islands are preferentially defects, and more homogeneous island dispersion was observed at the CNT oxygen functionalized surface. The presence of weakly bound oxygen atoms at the CNT surface induces the formation of CuO bonds at the Cu/CNT interface, as described through density functional calculations. Exposure to air allows further oxidation to facetted crystalline Cu2O. Oxygen plasma pre-treatment represents a promising route for homogenous disperse Cu2O nanoparticle decoration of CNTs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000303437900015 Publication Date 2012-03-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.815 Times cited 27 Open Access  
  Notes Approved Most recent IF: 1.815; 2012 IF: 2.145  
  Call Number UA @ lucian @ c:irua:97704 Serial 3336  
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Author Du, G.H.; Van Tendeloo, G. pdf  doi
openurl 
  Title Cu(OH)2 nanowires, CuO nanowires and CuO nanobelts Type A1 Journal article
  Year 2004 Publication (down) Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 393 Issue 1/3 Pages 64-69  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000222887700012 Publication Date 2004-06-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.815 Times cited 145 Open Access  
  Notes Iuap P5/01 Approved Most recent IF: 1.815; 2004 IF: 2.438  
  Call Number UA @ lucian @ c:irua:54777 Serial 3525  
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Author Ivanov, V.; Nagy, J.B.; Lambin, P.; Lucas, A.; Zhang, X.B.; Zhang, X.F.; Bernaerts, D.; Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J. pdf  doi
openurl 
  Title The study of carbon nanotubules produced by catalytic method Type A1 Journal article
  Year 1994 Publication (down) Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 223 Issue 4 Pages 329-335  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Catalytic methods for the production of carbon nanotubules have been developed based on the decomposition of acetylene on well-dispersed metal particles strongly adsorbed on a support. Cobalt on silica was found to be the best catalyst-support combination for the production of graphitic tubules. The method for the catalyst preparation and the reaction conditions were optimized. Straight and coiled carbon tubules were obtained with inner and outer diameter of 3-7 and 15-20 nm, respectively, and up to 30 mum in length. These nanotubules were not coated by amorphous carbon. Traces of amorphous carbon could be removed by hydrogen. High resolution electron microscopy images and electron diffraction patterns of the straight nanotubules were similar to those obtained by the arc-discharge method. Coiled nanotubules were revealed by TEM to be regular polygonized helices where the bends are caused by pairs of pentagon-heptagon carbon rings among the hexagonal network.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1994NT08000011 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 405 Open Access  
  Notes Approved PHYSICS, APPLIED 47/145 Q2 #  
  Call Number UA @ lucian @ c:irua:99869 Serial 3595  
Permanent link to this record
 
 
Author Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M. doi  openurl
  Title Thermal behavior of Si-doped fullerenes vs their structural stability at T = 0 K : a density functional study Type A1 Journal article
  Year 2011 Publication (down) Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 510 Issue 1/3 Pages 14-17  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We establish the topological conditions underlying the thermal stability of C30Si30 clusters. Two topologies have been considered: a segregated one, where Si and C atoms lie on neighboring and yet, separated parts of the cage, and a non-segregated one, where the number of SiC bonds is maximized. The segregated network is energetically favored against the non-segregated one, both structures being fully relaxed at T = 0 K. Conversely, the non-segregated structure is the only one stable at finite temperatures, regardless of the nature of the local states (d or p) included in the KleynmanBylander construction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000291478400002 Publication Date 2011-05-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.815 Times cited 14 Open Access  
  Notes Approved Most recent IF: 1.815; 2011 IF: 2.337  
  Call Number UA @ lucian @ c:irua:90453 Serial 3625  
Permanent link to this record
 
 
Author Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C. pdf  url
doi  openurl
  Title The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes Type A1 Journal article
  Year 2017 Publication (down) Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 687 Issue Pages 188-193  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000412453700030 Publication Date 2017-09-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.815 Times cited 2 Open Access Not_Open_Access: Available from 01.11.2019  
  Notes ; This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The computational resources and services used in this work were provided by the Vlaams Supercomputer Centrum (VSC) and the HPC infrastructure of the University of Antwerp. ; Approved Most recent IF: 1.815  
  Call Number UA @ lucian @ c:irua:146646 Serial 4795  
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Author Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title On the relative stabilities of the linear and triangular forms of B3N Type A1 Journal article
  Year 1993 Publication (down) Chemical physics Abbreviated Journal Chem Phys  
  Volume 178 Issue Pages 77-82  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1993MP94200006 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0301-0104; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.652 Times cited 9 Open Access  
  Notes Approved CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #  
  Call Number UA @ lucian @ c:irua:6150 Serial 2453  
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Author Verheijen, M.A.; Meekes, H.; Meijer, G.; Bennema, P.; de Boer, J.L.; van Smaalen, S.; Van Tendeloo, G.; Amelinckx, S.; Muto, S.; van Landuyt, J. doi  openurl
  Title The structure of different phases of pure C70 crystals Type A1 Journal article
  Year 1992 Publication (down) Chemical physics Abbreviated Journal Chem Phys  
  Volume 166 Issue Pages 287-297  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1992JQ46300026 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0301-0104; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.652 Times cited 168 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:4104 Serial 3309  
Permanent link to this record
 
 
Author Bafekry, A.; Ghergherehchi, M.; Shayesteh, S.F.; Peeters, F.M. pdf  doi
openurl 
  Title Adsorption of molecules on C3N nanosheet : a first-principles calculations Type A1 Journal article
  Year 2019 Publication (down) Chemical physics Abbreviated Journal Chem Phys  
  Volume 526 Issue 526 Pages 110442  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using first-principles calculations we investigate the interaction of various molecules, including H-2, N-2, CO, CO2, H2O, H2S, NH3, CH4 with a C3N nanosheet. Due to the weaker interaction between H-2, N-2, CO, CO2, H2O, H2S, NH3, and CH4 molecules with C3N, the adsorption energy is small and does not yield any significant distortion of the C3N lattice and the molecules are physisorbed. Calculated charge transfer shows that these molecules act as weak donors. However, adsorption of O-2, NO, NO2 and SO2 molecules are chemisorbed, they receive electrons from C3N and act as a strong acceptor. They interact strongly through hybridizing its frontier orbitals with the p-orbital of C3N, modifying the electronic structure of C3N. Our theoretical studies indicate that C3N-based sensor has a high potential for O-2, NO, NO2 and SO2 molecules detection.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000481606000006 Publication Date 2019-07-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0301-0104 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.767 Times cited 52 Open Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). In addition, this work was supported by the FLAG-ERA project 2DTRANS and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 1.767  
  Call Number UA @ admin @ c:irua:161779 Serial 5405  
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