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“Crystal field, orientational order, and lattice contraction in solid C60”. Lamoen D, Michel KH, The journal of chemical physics 101, 1435 (1994). http://doi.org/10.1063/1.467768
Abstract: A model of the intermolecular potential in solid C-60, which is based on Born-Mayer repulsions, van der Waals attractions, and electrostatic multipoles, is presented. The potential is expanded in terms of multipolar rotator functions. The orientation-orientation interaction and the crystal field are calculated. The orientational phase transition to the Pa3 phase is studied with the methods of statistical mechanics. The discontinuity of the order parameter at the transition and the temperature evolution of the order parameter are calculated. The lattice contraction at the phase transition is evaluated. The influence of the lattice contraction on the crystal field and on the orientational order is studied.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.952
Times cited: 39
DOI: 10.1063/1.467768
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“Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule”. Martin JML, Taylor PR, François JP, Gijbels R, Chemical physics letters 222, 517 (1994). http://doi.org/10.1016/0009-2614(94)00378-5
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.897
Times cited: 14
DOI: 10.1016/0009-2614(94)00378-5
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“Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules”. Martin JML, Taylor PR, François JP, Gijbels R, Chemical physics letters 226, 475 (1994). http://doi.org/10.1016/0009-2614(94)00758-6
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.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.897
Times cited: 46
DOI: 10.1016/0009-2614(94)00758-6
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“In situ infrared and electrical characterization of tin dioxide gas sensors in nitrogen/oxygen mixtures at temperatures up to 720 K”. Lenaerts S, Honoré, M, Huyberechts G, Roggen J, Maes G, Sensors and actuators : B : chemical 19, 478 (1994). http://doi.org/10.1016/0925-4005(93)01048-9
Abstract: FT-IR spectroscopy and impedance measurements of tin dioxide sensor materials at working temperatures up to 450 °C in atmospheres with varying O2/N2 ratio are used as an in situ probe to study the interactions at the surface of the semiconducting oxide. Every diminution in the oxygen content above the sample induces a broad IR absorption band (X-band) between 2300700 cm−1 with a few small peaks in the 1400850 cm−1 region of the spectrum superimposed on it. The X-band results from the enchanced electron concentration in the bulk of the tin dioxide domain. The fine structure is due to the absorption of several kinds of surface oxygen species associated vibration modes. The porous tin dioxide consists of domains were the outward shell is depleted of electrons by the formation of adsorbed O− species on oxygen surface sites, SO(O− species. In our proposed model for the impedance data this gives rise to a parallel RpCp circuit for the domain boundary characteristics and to an Rs parameter for the intradomain resistance. The evolution of these IR and impedance spectroscopic effects with temperature and oxygen content is used to set up, to confirm and refine a physicochemical operation model of tin dioxide gas sensor. This model consists of a sensitizing reaction sequence in the presence of oxygen and a gas-detection reaction sequence when a reducing gas is present. Based on this model, the principal disadvantages of this type of gas sensor become clear. Every factor that influences the concentration of SO(O−) species, causes a conductance modification. If we can control and direct the nature, the number and the arrangement of the tin dioxide domains, a directed development and improvement of the sensor characteristics is possible.
Keywords: A1 Journal article
DOI: 10.1016/0925-4005(93)01048-9
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“The study of carbon nanotubules produced by catalytic method”. Ivanov V, Nagy JB, Lambin P, Lucas A, Zhang XB, Zhang XF, Bernaerts D, Van Tendeloo G, Amelinckx S, van Landuyt J, Chemical physics letters 223, 329 (1994). http://doi.org/10.1016/0009-2614(94)00467-6
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.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.897
Times cited: 405
DOI: 10.1016/0009-2614(94)00467-6
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“Synthesis and characterization of tin dioxide powders for the realization of thick-film gas sensors”. Honoré, M, Lenaerts S, Desmet J, Huyberechts G, Roggen J, Sensors and actuators : B : chemical 19, 621 (1994). http://doi.org/10.1016/0925-4005(93)01224-R
Abstract: Semiconductor gas sensors produced with screen-printing techniques and based on home-made tin dioxide inks are presented. The ink consists of home-made tin dioxide powder added to a polymer solution to make it screen printable on 96% alumina substrates. The major work is performed on the preparation and the characterization of pure undoped tin dioxide powder produced by two different synthetic pathways. Inks prepared with powders from each method are consecutively handled in an identical way to obtain gas sensors. The sensor response towards different gases is measured and compared for both types of starting materials.
Keywords: A1 Journal article
DOI: 10.1016/0925-4005(93)01224-R
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“Determination of gold at the ultratrace level in natural waters”. Cidu R, Fanfani L, Shaud P, Edmunds WM, Van 't dack L, Gijbels R, Analytica chimica acta 296, 295 (1994). http://doi.org/10.1016/0003-2670(94)80249-1
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.513
Times cited: 20
DOI: 10.1016/0003-2670(94)80249-1
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“Structural evolution of Bi2Sr2CaCu2O8+\delta single crystals studies by “in situ&rdquo, heating electron microscopy”. Zhang XF, Van Tendeloo G, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 70, 549 (1994)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 5
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“Destruction of magnetophonon resonance in high mobility heterojunctions from competition between elastic and inelastic scattering”. Xu W, Leadley DR, Peeters FM, Devreese JT, Nicholas RJ, Harris JJ, Foxon CT, Proceedings of the International Conference on the Physics of Semiconductors 22, 839 (1994)
Keywords: P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
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“Structural considerations on LanTin-\deltaO3n”. Weill F, Fompeyrine J, Darriet B, Darriet J, Bontchev R, Amelinckx S, Van Tendeloo G, Icem 13, 903 (1994)
Keywords: A3 Journal article; Electron microscopy for materials research (EMAT)
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“Excited states of the one-dimensional bipolaron in the strong coupling limit”. Vansant P, Smondyrev MA, Peeters FM, Devreese JT, Bulletin of the American Physical Society 39, 889 (1994)
Keywords: A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
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“Electron microscopy of fullerenes and fullerene related structures”. Van Tendeloo G, van Landuyt J, Amelinckx S, , 498 (1994)
Keywords: P3 Proceeding; Electron microscopy for materials research (EMAT)
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“Up close: Center for Electron Microscopy of Materials Science at the University of Antwerp”. Van Tendeloo G, Schryvers D, van Dyck D, van Landuyt J, Amelinckx S, MRS bulletin , 57 (1994)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 5.667
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“Defect structure of Hg-based ceramic superconductors”. Van Tendeloo G, Hervieu M, Chaillout C, Icem 13, 949 (1994)
Keywords: A3 Journal article; Electron microscopy for materials research (EMAT)
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“Defect structure of Hg-based ceramic superconductors (invited)”. Van Tendeloo G, Hervieu M, Chaillout C, Sciences , 949 (1994)
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT)
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“Structural aspects of Li-doped tubular bismuth cuprates (Bi2Sr3Cu2-xLixOy): an electron microscopy study”. Van Tendeloo G, Domengès B, Caldes MT, Hervieu M, Raveau B, Journal of solid state chemistry 112, 161 (1994)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.133
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“Structural considerations and HREM on LanTin-\deltaO3n (n≥4δ)”. Van Tendeloo G, Amelinckx S, Darriet B, Bontchev R, Darriet J, Weill F, Journal of solid state chemistry 108, 314 (1994)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.133
Times cited: 29
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“Electron-microscopy and the structural studies of superconducting materials and fullerites”. Van Tendeloo G, Amelinckx S, NATO Advanced Study Institutes series: series E : applied sciences
T2 –, NATO Advanced Study Institute on Materials and crystallographic Aspects, of HT(c)-Superconductivity, May 17-30, 1993, Erice, Italy , 521 (1994)
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT)
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“High resolution electron microscopy of recent high Tc superconductors”. Van Tendeloo G, European Crystallographic Meeting 15, 20 (1994)
Keywords: P3 Proceeding; Electron microscopy for materials research (EMAT)
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“A Fourier transform laser microprobe mass spectrometer with external ion source for organic and inorganic surface and micro-analysis”. van Roy W, Struyf H, van Vaeck L, Gijbels R, Caravatti P Wiley, Chichester, page 463 (1994).
Keywords: H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“High-resolution electron microscopy for semiconducting materials science”. van Landuyt J, Vanhellemont J Elsevier, Amsterdam, page 1109 (1994).
Keywords: H3 Book chapter; Electron microscopy for materials research (EMAT)
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“Crystallography of fullerites and related graphene textures”. van Landuyt J, Van Tendeloo G, Amelinckx S, Zhang XF, Zhang XB, Luyten W, Materials science forum 150/151, 53 (1994)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
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“Nonlinear Schrödinger equation on a ring”. Smondyrev MA, Vansant P, Peeters FM, Devreese JT, JINR communications (1994)
Keywords: A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
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“Exact equations for large bipolarons in the strong-coupling limit”. Smondyrev MA, Peeters FM, Vansant P, Devreese JT, Journal of physics: A: mathematical and general 27, 7925 (1994)
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Times cited: 17
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“Effects of confinement in strongly-coupled superlattices on impurity bound magneto-polarons”. Shi JM, Peeters FM, Devreese JT, Cheng J-P, Kono J, McCombe BD, Proceedings of the International Conference on the Physics of Semiconductors 22, 2267 (1994)
Keywords: P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
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“Shallow-donor states in strongly-coupled super-lattices”. Shi JM, Peeters FM, Devreese JT, Bulletin of the American Physical Society 39, 488 (1994)
Keywords: A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
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“HREM imaging analysis in the study of pretransition and nucleation phenomena in alloys”. Schryvers D, Van Tendeloo G, van Landuyt J, Tanner LE, Icem 13, 659 (1994)
Keywords: A3 Journal article; Electron microscopy for materials research (EMAT)
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“HREM imaging analysis in the study of pretransition and nucleation phenomena in alloys (Invited)”. Schryvers D, Van Tendeloo G, van Landuyt J, Le Tanner, , 659 (1994)
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT)
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“Nucleation and growth of the Ni5Al3 in NiAl austenite and martensite”. Schryvers D, Toth L, Ma Y, Tanner LE, Journal de physique: 4 C2, 299 (1994)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
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“On the phase-like nature of the 7m structure in ni-al”. Schryvers D, Tanner LE, , 849 (1994)
Keywords: P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Times cited: 1
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