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Author Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R.
  Title Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule Type A1 Journal article
  Year 1994 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 222 Issue Pages 517-523
  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 A1994NN02600016 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 (down) 1.897 Times cited 14 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:10255 Serial 36
Permanent link to this record
 
 
Author Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R.
  Title Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules Type A1 Journal article
  Year 1994 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 226 Issue 5/6 Pages 475-483
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1994PE00500008 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 (down) 1.897 Times cited 46 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:10256 Serial 37
Permanent link to this record
 
 
Author Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical Type A1 Journal article
  Year 1996 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 252 Issue 5/6 Pages 398-404
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X(2) Sigma(+) and first excited A(2) Pi states of the SiN radical have been calculated at the complete active space SCF (CASSCF), multireference CI (MRCI) and coupled cluster (CCSD(T)) levels using Dunning's correlation-consistent basis sets. The excitation energy of the A(2) Pi State has also been computed at these theoretical levels. Dipole moments of SiN in the X(2) Sigma(+) and A(2) Pi states are given. Our study shows that core correlation must be considered in order to obtain satisfactory accuracy for the spectroscopic constants.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1996UJ45000017 Publication Date 2003-05-12
  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 (down) 1.897 Times cited 28 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:12328 Serial 40
Permanent link to this record
 
 
Author Lamoen, D.; Parrinello, M.
  Title Geometry and electronic structure of porphyrines and porphyrazines Type A1 Journal article
  Year 1996 Publication Chemical Physics Letters Abbreviated Journal Chem Phys Lett
  Volume 248 Issue Pages 309
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1996TR41900002 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 (down) 1.897 Times cited 46 Open Access
  Notes Approved CHEMISTRY, PHYSICAL 88/144 Q3 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 19/35 Q3 #
  Call Number UA @ lucian @ c:irua:15821 Serial 1329
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title On the structure, stability and infrared spectrum of B2N, B2N+, B2N-, BO, B2O and B2N2 Type A1 Journal article
  Year 1992 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 193 Issue 4 Pages 243-250
  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 A1992HZ32800007 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 (down) 1.897 Times cited 42 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:4194 Serial 2455
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title Potential energy surface of B4 and the total atomization energies of B2, B3 and B4 Type A1 Journal article
  Year 1992 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 189 Issue 6 Pages 529-536
  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 A1992HF18100008 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 (down) 1.897 Times cited 50 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:4193 Serial 2685
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title The rotational partition function of the symmetric top and the effect of K doubling thereon Type A1 Journal article
  Year 1991 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 187 Issue Pages 375-386
  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 A1991GX46000006 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 (down) 1.897 Times cited 6 Open Access
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 38/271 Q1 # METALLURGY & METALLURGICAL ENGINEERING 2/73 Q1 #
  Call Number UA @ lucian @ c:irua:713 Serial 2931
Permanent link to this record
 
 
Author Michel, K.H.
  Title Sequence of orientational phase transitions in solid C60 Type A1 Journal article
  Year 1992 Publication 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 (down) 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 Martin, J.M.L.; François, J.P.; Gijbels, R.; Almlöf, J.
  Title Structure and infrared spectroscopy of the C11 molecule Type A1 Journal article
  Year 1991 Publication 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 (down) 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.
  Title The structure, energetics, and harmonic vibrations of B3N Type A1 Journal article
  Year 1993 Publication 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 (down) 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.
  Title Structures and thermochemistry of B3N3 and B4N4 Type A1 Journal article
  Year 1995 Publication 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 (down) 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.
  Title The study of carbon nanotubes produced by catalytic method Type A1 Journal article
  Year 1994 Publication 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 (down) 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 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.
  Title The study of carbon nanotubules produced by catalytic method Type A1 Journal article
  Year 1994 Publication 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 (down) 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 Neyts, E.C.; Bogaerts, A.
  Title Combining molecular dynamics with Monte Carlo simulations : implementations and applications Type A1 Journal article
  Year 2013 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
  Volume 132 Issue 2 Pages 1320-12
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000318294700010 Publication Date 2012-12-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.89 Times cited 27 Open Access
  Notes Approved Most recent IF: 1.89; 2013 IF: 2.143
  Call Number UA @ lucian @ c:irua:104725 Serial 404
Permanent link to this record
 
 
Author Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K.
  Title Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies Type A1 Journal article
  Year 2012 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
  Volume 131 Issue 7 Pages 1238
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000307274300003 Publication Date 2012-07-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.89 Times cited 5 Open Access
  Notes Approved Most recent IF: 1.89; 2012 IF: 2.233
  Call Number UA @ lucian @ c:irua:101139 Serial 2935
Permanent link to this record
 
 
Author Lemberge, P.; Deraedt, I.; Janssens, K.; van Espen, P.
  Title Quantitative analysis of 16-17th century archaeological glass vessels using PLS regression of EPXMA and μ-XRF data Type A1 Journal article
  Year 2000 Publication Journal of chemometrics Abbreviated Journal J Chemometr
  Volume 14 Issue Pages 751-763
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000090065100026 Publication Date 2002-09-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0886-9383 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.884 Times cited Open Access
  Notes Approved Most recent IF: 1.884; 2000 IF: 2.081
  Call Number UA @ admin @ c:irua:32405 Serial 5793
Permanent link to this record
 
 
Author Radaelli, P.G.; Marezio, M.; Tholence, J.L.; de Brion, S.; Santoro, A.; Huang, Q.; Capponi, J.J.; Chaillout, C.; Krekels, T.; Van Tendeloo, G.
  Title Crystal structure of the double Hg-layer copper oxide superconductor (Hg, Pr)2Ba2(Y, Ca)Cu2O8-\delta as a function of doping Type A1 Journal article
  Year 1995 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
  Volume 56 Issue 10 Pages 1471-1478
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos A1995RR95600025 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3697 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.853 Times cited 16 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:13323 Serial 573
Permanent link to this record
 
 
Author Radaelli, P.G.; Marezio, M.; Tholence, J.L.; Debrion, S.; Santoro, A.; Huang, Q.; Capponi, J.J.; Chaillout, C.; Krekels, T.; Van Tendeloo, G.
  Title Crystal-structure of the double-hg-layer copper-oxide superconductor (Hg,Pr)2Ba2(Y,Ca)Cu2O8-\deltaas a function of doping Type A1 Journal article
  Year 1995 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
  Volume 56 Issue 10 Pages 1471-1478
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The crystal structure of the newly discovered double-Hg-layer copper oxide superconductor (Hg, Pr)(2)Ba-2(Y, Ca)Cu2O8-delta was studied as a function of chemical doping using neutron and electron diffraction and high-resolution transmission electron microscopy (HREM). Rietveld refinements of the structural parameters from neutron powder diffraction data indicate that the oxygen site O3 on the mercury plane is highly defective, being both partially occupied and displaced from the high-symmetry position. The variable concentration of oxygen vacancies partially compensates for the cation doping and, together with the O3 displacement field, makes some of the Hg atoms acquire an unusual pyramidal coordination. HREM images confirm that the structure is of the '2212' type, with very few defects. In some grains, faint superstructure reflections were evidenced by electron diffraction, suggesting that both the oxygen vacancies and the O3 displacement field may order at least on a local scale.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos A1995RR95600025 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3697; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 1.853 Times cited 16 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:104423 Serial 574
Permanent link to this record
 
 
Author Neyts, E.; Shibuta, Y.; Bogaerts, A.
  Title Bond switching regimes in nickel and nickel-carbon nanoclusters Type A1 Journal article
  Year 2010 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 488 Issue 4/6 Pages 202-205
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Understanding the fundamental dynamics in carbon nanotube (CNT) catalysts is of primary importance to understand CNT nucleation. This Letter reports on calculated bond switching (BS) rates in pure and carbon containing nickel nanoclusters. The rates are analyzed in terms of their temperature dependent spatial distribution and the mobility of the cluster atoms. The BS mechanism is found to change from vibrational to diffusional at around 900 K, with a corresponding strong increase in activation energy. Furthermore, the BS activation energy is observed to decrease as the carbon content in the cluster increases, resulting in an effective liquification of the cluster.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000275751900020 Publication Date 2010-02-15
  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 (down) 1.815 Times cited 20 Open Access
  Notes Approved Most recent IF: 1.815; 2010 IF: 2.282
  Call Number UA @ lucian @ c:irua:80998 Serial 248
Permanent link to this record
 
 
Author Ning, Y.; Zhang, X.; Wang, Y.; Sun, Y.; Shen, L.; Yang, X.; Van Tendeloo, G.
  Title Bulk production of multi-wall carbon nanotube bundles on sol-gel prepared catalyst Type A1 Journal article
  Year 2002 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 366 Issue 5/6 Pages 555-560
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000179484300017 Publication Date 2002-12-03
  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 (down) 1.815 Times cited 41 Open Access
  Notes Approved Most recent IF: 1.815; 2002 IF: 2.526
  Call Number UA @ lucian @ c:irua:54776 Serial 262
Permanent link to this record
 
 
Author Colomer, J.-F.; Benoit, J.-M.; Stephan, C.; Lefrant, S.; Van Tendeloo, G.; Nagy, J.B.
  Title Characterization of single-wall carbon nanotubes produced by CCVD method Type A1 Journal article
  Year 2001 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 345 Issue Pages 11-17
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000171066300003 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 (down) 1.815 Times cited 45 Open Access
  Notes Approved Most recent IF: 1.815; 2001 IF: 2.364
  Call Number UA @ lucian @ c:irua:54775 Serial 332
Permanent link to this record
 
 
Author Willems, I.; Konya, Z.; Colomer, J.F.; Van Tendeloo, G.; Nagaraju, N.; Fonseca, A.; Nagy, J.B.
  Title Control of the outer diameter of thin carbon nanotubes synthesized by catalytic decomposition of hydrocarbons Type A1 Journal article
  Year 2000 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 317 Issue 1-2 Pages 71-76
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Multi-wall carbon nanotubes have been produced by the catalytic decomposition of acetylene. Go-Mo, Co-V and Co-Fe mixtures supported either on zeolite or corundum alumina were used as catalysts. When Fe or V is added to Co, the carbon deposit increases. The nanotubes were characterized by both low and high resolution TEM. From histograms representing the outer diameter distributions, it is clear that the outer diameter of the nanotubes can be controlled by choosing the appropriate catalyst. (C) 2000 Elsevier Science B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000085128300013 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 (down) 1.815 Times cited 130 Open Access
  Notes Approved Most recent IF: 1.815; 2000 IF: 2.364
  Call Number UA @ lucian @ c:irua:103956 Serial 499
Permanent link to this record
 
 
Author Li, Y.; Zhang, X.; Shen, L.; Luo, J.; Tao, X.; Liu, F.; Xu, G.; Wang, Y.; Geise, H.J.; Van Tendeloo, G.
  Title Controlling the diameters in large-scale synthesis of single-walled carbon nanotubes by catalytic decomposition of CH4 Type A1 Journal article
  Year 2004 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 398 Issue 1-3 Pages 276-282
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract High-quality single-walled carbon nanotubes (SWNTs) are synthesized in gram amount on Fe-Mo/MgO catalysts by catalytic decomposition of CH4 in H-2 or N-2. Raman data reveal that the as-prepared SATNTs have a diameter of about 0.74-1.29 nm. It is found that the diameter of the as-prepared SWNTs can be controlled mainly by adjusting the molar ratio of Fe-Mo versus the MgO support. Several other factors that potentially influence the growth of SWNTs have been studied in detail. The experimental results show that the nature of the catalyst determines the diameter of the as-prepared SWNTs. (C) 2004 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000224720300050 Publication Date 2004-10-12
  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 (down) 1.815 Times cited 45 Open Access
  Notes Approved Most recent IF: 1.815; 2004 IF: 2.438
  Call Number UA @ lucian @ c:irua:103720 Serial 507
Permanent link to this record
 
 
Author Bittencourt, C.; Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Drube, W.; Erni, R.; Van Tendeloo, G.
  Title Decorating carbon nanotubes with nickel nanoparticles Type A1 Journal article
  Year 2007 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 436 Issue 4/6 Pages 368-372
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000245302000013 Publication Date 2007-01-28
  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 (down) 1.815 Times cited 78 Open Access
  Notes Ia-Sfs; Pai 5/1 Approved Most recent IF: 1.815; 2007 IF: 2.207
  Call Number UA @ lucian @ c:irua:64310 Serial 611
Permanent link to this record
 
 
Author Colomer, J.F.; Stephan, C.; Lefrant, S.; Van Tendeloo, G.; Willems, I.; Konya, Z.; Fonseca, A.; Laurent, C.; Nagy, J.B.
  Title Large-scale synthesis of single-wall carbon nanotubes by catalytic chemical vapor deposition (CCVD) method Type A1 Journal article
  Year 2000 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 317 Issue 1-2 Pages 83-89
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The large-scale production of single-wall carbon nanotubes (SWNTs) is reported. Large quantities of SWNTs can be synthesised by catalytic decomposition of methane over well-dispersed metal particles supported on MgO at 1000 degrees C. The thus produced SWNTs can be separated easily from the support by a simple acidic treatment to obtain a product with high yields (70-80%) of SWNTs. Because the typical synthesis time is 10 min, 1 g of SWNTs can be synthesised per day by this method. The SWNTs are characterized by high-resolution transmission electron microscopy and by Raman spectroscopy, showing the quality and the quantity of products. (C) 2000 Elsevier Science B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000085128300015 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 (down) 1.815 Times cited 344 Open Access
  Notes Approved Most recent IF: 1.815; 2000 IF: 2.364
  Call Number UA @ lucian @ c:irua:103957 Serial 1782
Permanent link to this record
 
 
Author Georgieva, V.; Todorov, I.T.; Bogaerts, A.
  Title Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential Type A1 Journal article
  Year 2010 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 485 Issue 4/6 Pages 315-319
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract A molecular dynamics (MD) study of MgxAlyOz thin films grown by magnetron sputtering is presented using an ionic model and comparing two potential sets with formal and partial charges. The applicability of the model and the reliability of the potential sets for the simulation of thin film growth are discussed. The formal charge potential set was found to reproduce the thin film structure in close agreement with the structure of the experimentally grown thin films. Graphical abstract A molecular dynamics study of growth of MgxAlyOz thin films is presented using an ionic model and comparing two potential sets with formal and partial charges. The simulation results with the formal charge potential set showed a transition in the film from a crystalline to an amorphous structure, when the Mg metal content decreases below 50% in very close agreement with the structure of the experimentally deposited films.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000273782600010 Publication Date 2010-01-05
  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 (down) 1.815 Times cited 16 Open Access
  Notes Approved Most recent IF: 1.815; 2010 IF: 2.282
  Call Number UA @ lucian @ c:irua:80023 Serial 2170
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Author Bittencourt, C.; Ke, X.; Van Tendeloo, G.; Tagmatarchis, N.; Guttmann, P.
  Title NEXAFS spectromicroscopy of suspended carbon nanohorns Type A1 Journal article
  Year 2013 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 587 Issue Pages 85-87
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We demonstrate that near-edge X-ray-absorption fine-structure spectroscopy combined with full-field transmission X-ray microscopy can be used to study the electronic structure of suspended carbon nanohorns. Based on reports of electronic structure calculations additional spectral features observed in the π region of the NEXAFS spectrum recorded on the carbon nanohorns were associated to the presence of the pentagonal rings and the folding of the graphene sheet.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000326104500016 Publication Date 2013-09-18
  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 (down) 1.815 Times cited 4 Open Access
  Notes Fp7; Countatoms; Approved Most recent IF: 1.815; 2013 IF: 1.991
  Call Number UA @ lucian @ c:irua:111592 Serial 2339
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Author Shariat, M.; Shokri, B.; Neyts, E.C.
  Title On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition Type A1 Journal article
  Year 2013 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 590 Issue Pages 131-135
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Despite significant progress in single walled carbon nanotube (SWCNT) production by plasma enhanced chemical vapor deposition (PECVD), the growth mechanism in this method is not clearly understood. We employ reactive molecular dynamics simulations to investigate how plasma-based deposition allows growth at low temperature. We first investigate the SWCNT growth mechanism at low and high temperatures under conditions similar to thermal CVD and PECVD. We then show how ion bombardment during the nucleation stage increases the carbon solubility in the catalyst at low temperature. Finally, we demonstrate how moderate energy ions sputter amorphous carbon allowing for SWCNT growth at 500 K. (C) 2013 Elsevier B. V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000327721000024 Publication Date 2013-10-27
  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 (down) 1.815 Times cited 14 Open Access
  Notes Approved Most recent IF: 1.815; 2013 IF: 1.991
  Call Number UA @ lucian @ c:irua:112775 Serial 2439
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Author Adjizian, J.J.; De Marco, P.; Suarez-Martinez, I.; El Mel, A.A.; Snyders, R.; Gengler, R.Y.N.; Rudolf, P.; Ke, X.; Van Tendeloo, G.; Bittencourt, C.; Ewels, C.P.;
  Title Platinum and palladium on carbon nanotubes : experimental and theoretical studies Type A1 Journal article
  Year 2013 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 571 Issue Pages 44-48
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Pristine and oxygen plasma functionalised carbon nanotubes (CNTs) were studied after the evaporation of Pt and Pd atoms. High resolution transmission electron microscopy shows the formation of metal nanoparticles at the CNT surface. Oxygen functional groups grafted by the plasma functionalization act as nucleation sites for metal nanoparticles. Analysis of the C1s core level spectra reveals that there is no covalent bonding between the Pt or Pd atoms and the CNT surface. Unlike other transition metals such as titanium and copper, neither Pd nor Pt show strong oxygen interaction or surface oxygen scavenging behaviour.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000319109900007 Publication Date 2013-04-06
  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 (down) 1.815 Times cited 23 Open Access
  Notes Countatoms; Cost Approved Most recent IF: 1.815; 2013 IF: 1.991
  Call Number UA @ lucian @ c:irua:108706 Serial 2650
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Author Bittencourt, C.; Hecq, M.; Felten, A.; Pireaux, J.J.; Ghijsen, J.; Felicissimo, M.P.; Rudolf, P.; Drube, W.; Ke, X.; Van Tendeloo, G.
  Title Platinumcarbon nanotube interaction Type A1 Journal article
  Year 2008 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 462 Issue 4/6 Pages 260-264
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The interaction between evaporated Pt and pristine or oxygen-plasma-treated multiwall carbon nanotubes (CNTs) is investigated. Pt is found to nucleate at defect sites, whether initially present or introduced by oxygen plasma treatment. The plasma treatment induces a uniform dispersion of Pt nanoparticles at the CNT surface. The absence of additional features in the C 1s core level spectrum indicates that no mixed PtC phase is formed. The formation of COPt bonds at the cluster-CNT interface is suggested to reduce the electronic interaction between Pt nanoparticles and the CNT surface.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000258830900025 Publication Date 2008-07-30
  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 (down) 1.815 Times cited 62 Open Access
  Notes Pai Approved Most recent IF: 1.815; 2008 IF: 2.169
  Call Number UA @ lucian @ c:irua:76489 Serial 2652
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