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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. | ||||
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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 | 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 | ||
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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). | ||||
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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 | 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 | ||
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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) | ||||
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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 | 1.897 | Times cited | 14 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:10255 | Serial | 36 | ||
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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 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. | ||||
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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 | 1.897 | Times cited | 46 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:10256 | Serial | 37 | ||
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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. | ||||
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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 | 1.897 | Times cited | 28 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:12328 | Serial | 40 | ||
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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); | ||||
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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 | 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 | ||
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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 | |||||
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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 | 1.897 | Times cited | 42 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:4194 | Serial | 2455 | ||
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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 | |||||
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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 | 1.897 | Times cited | 50 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:4193 | Serial | 2685 | ||
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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 | |||||
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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 | 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 | |||||
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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 | ||
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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 | |||||
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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 | ||
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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 | |||||
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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 | ||
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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 | |||||
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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 | ||
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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. | ||||
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 | |||||
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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 | ||
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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. | ||||
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. | ||||
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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 | ||
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Author | Cui, W.; Hu, Z.-Y.; Unocic, R.R.; Van Tendeloo, G.; Sang, X. | ||||
Title | Atomic defects, functional groups and properties in MXenes | Type | A1 Journal article | ||
Year | 2021 | Publication | Chinese Chemical Letters | Abbreviated Journal | Chinese Chem Lett |
Volume | 32 | Issue | 1 | Pages | 339-344 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | MXenes, a new family of functional two-dimensional (2D) materials, have shown great potential for an extensive variety of applications within the last decade. Atomic defects and functional groups in MXenes are known to have a tremendous influence on the functional properties. In this review, we focus on recent progress in the characterization of atomic defects and functional group chemistry in MXenes, and how to control them to directly influence various properties (e.g., electron transport, Li' adsorption, hydrogen evolution reaction (HER) activity, and magnetism) of 2D MXenes materials. Dynamic structural transformations such as oxidation and growth induced by atomic defects in MXenes are also discussed. The review thus provides perspectives on property optimization through atomic defect engineering, and bottom-up synthesis methods based on defect-assisted homoepitaxial growth of MXenes. (C) 2020 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000618541800057 | Publication Date | 2020-04-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1001-8417 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.932 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 1.932 | |||
Call Number | UA @ admin @ c:irua:177568 | Serial | 6777 | ||
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Author | Gillie, L.J.; Palmer, H.M.; Wright, A.J.; Hadermann, J.; Van Tendeloo, G.; Greaves, C. | ||||
Title | Crystallographic and magnetic structures of Y0.8Sr2.2Mn2GaO8-\delta: a new vacancy-ordered perovskite structure | Type | A1 Journal article | ||
Year | 2004 | Publication | The journal of physics and chemistry of solids | Abbreviated Journal | J Phys Chem Solids |
Volume | 65 | Issue | Pages | 87-93 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000188127400014 | Publication Date | 2003-10-16 | |
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 | 2.059 | Times cited | 15 | Open Access | |
Notes | Approved | Most recent IF: 2.059; 2004 IF: 0.988 | |||
Call Number | UA @ lucian @ c:irua:43875 | Serial | 585 | ||
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Author | Bernaerts, D.; Amelinckx, S.; Van Tendeloo, G.; van Landuyt, J. | ||||
Title | Electron microscopy of carbon nanotubes and related structures | Type | A1 Journal article | ||
Year | 1997 | Publication | The journal of physics and chemistry of solids | Abbreviated Journal | J Phys Chem Solids |
Volume | 58 | Issue | 11 | Pages | 1807-1813 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000071510100029 | Publication Date | 2003-04-05 | |
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 | 2.059 | Times cited | 12 | Open Access | |
Notes | Approved | Most recent IF: 2.059; 1997 IF: 1.083 | |||
Call Number | UA @ lucian @ c:irua:21425 | Serial | 959 | ||
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Author | Bussmann-Holder, A.; Dalal, N.; Michel, K.H. | ||||
Title | Polarizability induced cooperative proton ordering, coexistence of order/disorder and displacive dynamics and isotope effects in hydrogen-bonded systems | Type | A1 Journal article | ||
Year | 2000 | Publication | The journal of physics and chemistry of solids T2 – Williamsburg Workshop on Ferroelectrics 99, JAN 31-FEB 03, 1999, WILLIAMSBURG, VIRGINIA | Abbreviated Journal | J Phys Chem Solids |
Volume | 61 | Issue | 2 | Pages | 271-274 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Despite the general belief that hydrogen-bonded ferro- and antiferroelectrics undergo a pure order/disorder transition at the structural instability, new NMR data and a new theoretical concept yield convincing evidence that a pronounced displacive component is present in these systems, which modifies substantially the temperature dependencies of the tunnel and lattice mode frequencies. The experiments and their interpretation are presented. (C) 1999 Elsevier Science Ltd. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Pergamon-elsevier science ltd | Place of Publication | Oxford | Editor | |
Language | Wos | 000084147000020 | Publication Date | 2002-07-25 | |
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 | 2.059 | Times cited | 8 | Open Access | |
Notes | Approved | Most recent IF: 2.059; 2000 IF: 1.003 | |||
Call Number | UA @ lucian @ c:irua:103469 | Serial | 2660 | ||
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Author | Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M.N.; Dixit, H.; Lamoen, D.; Partoens, B. | ||||
Title | A simplified approach to the band gap correction of defect formation energies : Al, Ga, and In-doped ZnO | Type | A1 Journal article | ||
Year | 2013 | Publication | The journal of physics and chemistry of solids | Abbreviated Journal | J Phys Chem Solids |
Volume | 74 | Issue | 1 | Pages | 45-50 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | The calculation of defect levels in semiconductors within a density functional theory approach suffers greatly from the band gap problem. We propose a band gap correction scheme that is based on the separation of energy differences in electron addition and relaxation energies. We show that it can predict defect levels with a reasonable accuracy, particularly in the case of defects with conduction band character, and yet is simple and computationally economical. We apply this method to ZnO doped with group III elements (Al, Ga, In). As expected from experiment, the results indicate that Zn substitutional doping is preferred over interstitial doping in Al, Ga, and In-doped ZnO, under both zinc-rich and oxygen-rich conditions. Further, all three dopants act as shallow donors, with the +1 charge state having the most advantageous formation energy. Also, doping effects on the electronic structure of ZnO are sufficiently mild so as to affect little the fundamental band gap and lowest conduction bands dispersion, which secures their n-type transparent conducting behavior. A comparison with the extrapolation method based on LDA+U calculations and with the HeydScuseriaErnzerhof hybrid functional (HSE) shows the reliability of the proposed scheme in predicting the thermodynamic transition levels in shallow donor systems. | ||||
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Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000311062500009 | Publication Date | 2012-08-10 | |
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 | 2.059 | Times cited | 36 | Open Access | |
Notes | Fwo; Bof-Nio | Approved | Most recent IF: 2.059; 2013 IF: 1.594 | ||
Call Number | UA @ lucian @ c:irua:101782 | Serial | 3004 | ||
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Author | Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. | ||||
Title | First-principles study of CO and OH adsorption on in-doped ZnO surfaces | Type | A1 Journal article | ||
Year | 2019 | Publication | The journal of physics and chemistry of solids | Abbreviated Journal | J Phys Chem Solids |
Volume | 132 | Issue | Pages | 172-181 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic response upon adsorption of CO. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000472124700023 | Publication Date | 2019-04-25 | |
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 | 2.059 | Times cited | 7 | Open Access | Not_Open_Access: Available from 26.04.2021 |
Notes | FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; | Approved | Most recent IF: 2.059 | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:159656 | Serial | 5170 | ||
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Author | De Beule, C.; Saniz, R.; Partoens, B. | ||||
Title | Crystalline topological states at a topological insulator junction | Type | A1 Journal article | ||
Year | 2019 | Publication | The journal of physics and chemistry of solids | Abbreviated Journal | J Phys Chem Solids |
Volume | 128 | Issue | 128 | Pages | 144-151 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | We consider an interface between two strong time-reversal invariant topological insulators having surface states with opposite spin chirality, or equivalently, opposite mirror Chern number. We show that such an interface supports gapless modes that are protected by mirror symmetry. The interface states are investigated with a continuum model for the Bi2Se3 class of topological insulators that takes into account terms up to third order in the crystal momentum, which ensures that the model has the correct symmetry. The model parameters are obtained from ab initio calculations. Finally, we consider the effect of rotational mismatch at the interface, which breaks the mirror symmetry and opens a gap in the interface spectrum. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000472693100013 | Publication Date | 2018-01-31 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3697 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.059 | Times cited | Open Access | ||
Notes | ; ; | Approved | Most recent IF: 2.059 | ||
Call Number | UA @ admin @ c:irua:161391 | Serial | 5385 | ||
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Author | Thomé, T.; Colaux, J.L.; Colomer, J.-F.; Bertoni, G.; Terwagne, G. | ||||
Title | Formation of carbon nitride nanospheres by ion implantation | Type | A1 Journal article | ||
Year | 2007 | Publication | Materials chemistry and physics | Abbreviated Journal | Mater Chem Phys |
Volume | 103 | Issue | 2-3 | Pages | 290-294 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Carbon nitride nanospheres have been synthesized into copper by simultaneous high fluence (10(18) at. cm(-2)) implantations of C-12 and N-15 ions. The composition of the implanted region has been measured using C-12(d,p(0))C-13 and N-15(d,alpha(0))C-13 nuclear reactions induced by a 1.05 MeV deuteron beam. The C-12 and N-15 depth profiles are very close and the retained doses into copper are relatively high, which indicates that carbon and nitrogen diffusion processes are likely limited during implantation. High resolution transmission electron microscopy (HRTEM) observations and electron diffraction (ED) analyses have been carried out to determine the structure of the nanospheres formed during implantation. Some consist in small hollow amorphous nanocapsules with sizes ranging from 30 to 100 nm. Large gas bubbles with diameters up to 300 mn have also been observed in the copper matrix. Electron energy-loss spectroscopy (EELS) measurements performed on the small nanocapsules indicate that their shells are composed of carbon and nitrogen. (c) 2007 Elsevier B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000247715300016 | Publication Date | 2007-02-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0254-0584; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.084 | Times cited | 1 | Open Access | |
Notes | Approved | Most recent IF: 2.084; 2007 IF: 1.871 | |||
Call Number | UA @ lucian @ c:irua:102670 | Serial | 1258 | ||
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Author | Navío, C.; Vallejos, S.; Stoycheva, T.; Llobet, E.; Correig, X.; Snyders, R.; Blackman, C.; Umek, P.; Ke, X.; Van Tendeloo, G.; Bittencourt, C.; | ||||
Title | Gold clusters on WO3 nanoneedles grown via AACVD : XPS and TEM studies | Type | A1 Journal article | ||
Year | 2012 | Publication | Materials chemistry and physics | Abbreviated Journal | Mater Chem Phys |
Volume | 134 | Issue | 2/3 | Pages | 809-813 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | We have prepared tungsten oxide films decorated with gold particles on Si substrates by aerosol assisted chemical vapor deposition (AACVD) and characterized them using scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). SEM shows that the films are composed of needle-like structures and TEM shows that both the needles and the gold particles are crystalline. XPS indicates the presence of oxygen vacancies, i.e. the films are WO3−x, and hence the deposited material is composed of semiconducting nanostructures and that the interaction between the gold particles and the WO3 needles surface is weak. The synthesis of semiconducting tungsten oxide nanostructures decorated with metal particles represents an important step towards the development of sensing devices with optimal properties. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000305918200038 | Publication Date | 2012-04-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0254-0584; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.084 | Times cited | 52 | Open Access | |
Notes | Iap | Approved | Most recent IF: 2.084; 2012 IF: 2.072 | ||
Call Number | UA @ lucian @ c:irua:97705 | Serial | 1356 | ||
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Author | Lorenz, H.; Zhao, Q.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Klötzer, B.; Rameshan, C.; Penner, S. | ||||
Title | Preparation and structural characterization of SnO2 and GeO2 methanol steam reforming thin film model catalysts by (HR)TEM | Type | A1 Journal article | ||
Year | 2010 | Publication | Materials chemistry and physics | Abbreviated Journal | Mater Chem Phys |
Volume | 122 | Issue | 2/3 | Pages | 623-629 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Structure, morphology and composition of different tin oxide and germanium oxide thin film catalysts for the methanol steam reforming (MSR) reaction have been studied by a combination of (high-resolution) transmission electron microscopy, selected area electron diffraction, dark-field imaging and electron energy-loss spectroscopy. Deposition of the thin films on NaCl(0 0 1) cleavage faces has been carried out by thermal evaporation of the respective SnO2 and GeO2 powders in varying oxygen partial pressures and at different substrate temperatures. Preparation of tin oxide films in high oxygen pressures (10−1 Pa) exclusively resulted in SnO phases, at and above 473 K substrate temperature epitaxial growth of SnO on NaCl(0 0 1) leads to well-ordered films. For lower oxygen partial pressures (10−3 to 10−2 Pa), mixtures of SnO and β-Sn are obtained. Well-ordered SnO2 films, as verified by electron diffraction patterns and energy-loss spectra, are only obtained after post-oxidation of SnO films at temperatures T ≥ 673 K in 105 Pa O2. Preparation of GeOx films inevitably results in amorphous films with a composition close to GeO2, which cannot be crystallized by annealing treatments in oxygen or hydrogen at temperatures comparable to SnO/SnO2. Similarities and differences to neighbouring oxides relevant for selective MSR in the third group of the periodic system (In2O3 and Ga2O3) are also discussed with the aim of cross-correlation in formation of nanomaterials, and ultimately, also catalytic properties. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000278637900054 | Publication Date | 2010-04-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0254-0584; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.084 | Times cited | 15 | Open Access | |
Notes | Esteem 026019 | Approved | Most recent IF: 2.084; 2010 IF: 2.356 | ||
Call Number | UA @ lucian @ c:irua:83099 | Serial | 2699 | ||
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Author | Tit, N.; Al Ezzi, M.M.; Abdullah, H.M.; Yusupov, M.; Kouser, S.; Bahlouli, H.; Yamani, Z.H. | ||||
Title | Detection of CO2 using CNT-based sensors: Role of Fe catalyst on sensitivity and selectivity | Type | A1 Journal article | ||
Year | 2017 | Publication | Materials chemistry and physics | Abbreviated Journal | Mater Chem Phys |
Volume | 186 | Issue | 186 | Pages | 353-364 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The adsorption of CO2 on surfaces of graphene and carbon nanotubes (CNTs), decorated with Fe atoms, are investigated using the self-consistent-charge density-functional tight-binding (SCC-DFTB) method, neglecting the heat effects. Fe ad-atoms are more stable when they are dispersed on hollow sites. They introduce a large density of states at the Fermi level (N-F); where keeping such density low would help in gas sensing. Furthermore, the Fe ad-atom can weaken the C=O double bonds of the chemisorbed CO2 molecule, paving the way for oxygen atoms to drain more charges from Fe. Consequently, chemisorption of CO2 molecules reduces both N-F and the conductance while it enhances the sensitivity with the increasing gas dose. Conducting armchair CNTs (ac-CNTs) have higher sensitivity than graphene and semiconducting zigzag CNTs (zz-CNT5). Comparative study of sensitivity of ac-CNT-Fe composite towards various gases (e.g., O-2, N-2, H-2, H2O, CO and CO2) has shown high sensitivity and selectivity towards CO, CO2 and H2O gases. (C) 2016 Elsevier B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000390621200044 | Publication Date | 2016-11-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0254-0584 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.084 | Times cited | 17 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 2.084 | |||
Call Number | UA @ lucian @ c:irua:140333 | Serial | 4465 | ||
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Author | De Dobbelaere, C.; Lourdes Calzada, M.; Bretos, I.; Jimenez, R.; Ricote, J.; Hadermann, J.; Hardy, A.; Van Bael, M.K. | ||||
Title | Gaining new insight into low-temperature aqueous photochemical solution deposited ferroelectric PbTiO3 films | Type | A1 Journal article | ||
Year | 2016 | Publication | Materials chemistry and physics | Abbreviated Journal | Mater Chem Phys |
Volume | 174 | Issue | Pages | 28-40 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The nature of the low-temperature photochemical assisted formation process of ferroelectric lead titanate (PbTiO3) films is studied in the present work. Films are obtained by the deposition of an aqueous solution containing citric acid based (citrato) metal ion complexes with intrinsic UV activity. This UV activity is crucial for the aqueous photochemical solution deposition (aqueous PCSD) route being used. UV irradiation enhances the early decomposition of organics and results in improved electrical properties for the crystalline oxide film, even if the film is crystallized at low temperature. GATR-FTIR shows that UV irradiation promotes the decomposition of organic precursor components, resulting in homogeneous films if applied in the right temperature window during film processing. The organic content, morphology and crystallinity of the irradiated films, achieved at different processing atmospheres and temperatures, is studied and eventually correlated to the functional behavior of the obtained films. This is an important issue, as crystalline films obtained at low temperatures often lack ferroelectric responses. In this work, the film prepared in pure oxygen at the very low temperature of 400 degrees C and after an optimized UV treatment presents a significant remanent polarization value of P-r = 8.8 mu C cm(-2). This value is attributed to the better crystallinity, the larger grain size and the reduced porosity obtained thanks to the early film crystallization effectively achieved through the UV treatment in oxygen. (C) 2016 Elsevier B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000373865700005 | Publication Date | 2016-03-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0254-0584 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.084 | Times cited | 4 | Open Access | |
Notes | Approved | Most recent IF: 2.084 | |||
Call Number | UA @ lucian @ c:irua:144729 | Serial | 4659 | ||
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Author | Van Hoecke, L.; Boeye, D.; Gonzalez‐Quiroga, A.; Patience, G.S.; Perreault, P. | ||||
Title | Experimental methods in chemical engineering : computational fluid dynamics/finite volume method–CFD/FVM | Type | A1 Journal article | ||
Year | 2022 | Publication | The Canadian journal of chemical engineering | Abbreviated Journal | Can J Chem Eng |
Volume | Issue | Pages | 1-17 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Computational fluid dynamics (CFD) applies numerical methods to solve transport phenomena problems. These include, for example, problems related to fluid flow comprising the Navier--Stokes transport equations for either compressible or incompressible fluids together with turbulence models and continuity equations for single and multi-component (reacting and inert) systems. The design space is first segmented into discrete volume elements (meshing). The finite volume method, the subject of this article, discretizes the equations in time and space to produce a set of non-linear algebraic expressions that are assigned to each volume element-cell. The system of equations is solved iteratively with algorithms like the semi-implicit method for pressure-linked equations (SIMPLE) and the pressure implicit splitting of operators (PISO). CFD is especially useful for testing multiple design elements because it is often faster and cheaper than experiments. The downside is that this numerical method is based on models that require validation to check their accuracy. According to a bibliometric analysis, the broad research domains in chemical engineering include: (1) dynamics and CFD-DEM (2) fluid flow, heat transfer and turbulence, (3) mass transfer and combustion, (4) ventilation and environment, and (5) design and optimization. Here, we review the basic theoretical concepts of CFD and illustrate how to set up a problem in the open-source software OpenFOAM to isomerize n-butane to i-butane in a notched reactor under turbulent conditions. We simulated the problem with 1000, 4000, and 16000 cells. According to the Richardson extrapolation, the simulation underestimates the adiabatic temperature rise by 7% with 16000 cells. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000859840100001 | Publication Date | 2022-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0008-4034; 1939-019x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.1 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 2.1 | |||
Call Number | UA @ admin @ c:irua:189284 | Serial | 7160 | ||
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Author | Prituzhalov, V.A.; Ardashnikova, E.I.; Vinogradov, A.A.; Dolgikh, V.A.; Videau, J.-J.; Fargin, E.; Abakumov, A.M.; Tarakina, N.V.; Van Tendeloo, G. | ||||
Title | New anion-conducting solid solutions Bi1-xTex(O,F)2+\delta (x > 0.5) and glassceramic material on their base | Type | A1 Journal article | ||
Year | 2011 | Publication | Journal of fluorine chemistry | Abbreviated Journal | J Fluorine Chem |
Volume | 132 | Issue | 12 | Pages | 1110-1116 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The anion-excess fluorite-like solid solutions with general composition Bi1−xTex(O,F)2+δ (x > 0.5) have been synthesized by a solid state reaction of TeO2, BiF3 and Bi2O3 at 873 K with following quenching. The homogeneity areas and polymorphism of the I ↔ IV Bi1−xTex(O,F)2+δ phases were investigated. The crystal structure of the low temperature IV-Bi1−xTex(O,F)2+δ phase has been solved using electron diffraction and X-ray powder diffraction (a = 11.53051(9) Å, S.G. Ia-3, RI = 0.046, RP = 0.041). Glass formation area in the Bi2O3BiF3TeO2 (10% TiO2) system was investigated. IVBi1−xTex(O,F)2+δ phase starts to crystallize at short-time (0.53 h) annealing of oxyfluoride glasses at temperatures above Tg (600615 K). The ionic conductivity of the crystalline Bi1−xTex(O,F)2+δ phase and corresponding glass-ceramics was investigated. Activation energy of conductivity Ea = 0.41(2) eV for the IV-Bi1−xTex(O,F)2+δ crystalline samples and Ea = 0.73 eV for the glass-ceramic samples were obtained. Investigation of the oxyfluoride samples with a constant cation ratio demonstrates essential influence of excess fluorine anions on the ionic conductivity. | ||||
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Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000296936300011 | Publication Date | 2011-07-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-1139; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.101 | Times cited | 2 | Open Access | |
Notes | Approved | Most recent IF: 2.101; 2011 IF: 2.033 | |||
Call Number | UA @ lucian @ c:irua:93687 | Serial | 2305 | ||
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Author | Abakumov, A.M.; Van Tendeloo, G.; Scheglov, A.A.; Shpanchenko, R.V.; Antipov, E.V. | ||||
Title | The crystal structure of Ba8Ta6NiO24: cation ordering in hexagonal perovskites | Type | A1 Journal article | ||
Year | 1996 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
Volume | 125 | Issue | Pages | 102-107 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | A1996VB31300015 | Publication Date | 2002-10-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-4596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.133 | Times cited | 38 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:16868 | Serial | 569 | ||
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