Search Results - "Betranhandy, E."

Ab initio studies of the electronic structure of the quaternary system LiBC4N4 by MATAR, S. F, BETRANHANDY, E, NAKHL, M

“…Starting from experimental data on the synthesis of solid LiBC4N4, an ab initio study has been carried out within the DFT-LDA framework of its structure and…”
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Interplay of Electronic Structure and Bulk Properties in 2D and 3D Ternary Carbonitrides from First Principles by Betranhandy, E., Matar, Samir F., El-Kfoury, Ch, Weihrich, R., Etourneau, J.

“…The changes in electronic structure and hardness as inferred from the bulk modulus are investigated for model structures of ternary compounds XC3N3 (X = B, Al,…”
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Structural geomimetism: A conceptual framework for devising new materials from first principles by Matar, S.F., Betranhandy, E., Nakhl, M., Zakhour-Nakhl, M., Ouaïni, N.

“…We propose an original conceptual framework for the search for new materials based on “structural geomimetism”. Specific properties can be sought such as…”
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Ab initio investigation of the nitrofluoride SiNF by BETRANHANDY, E, MATAR, S. F

“…A new chemical system SiNF is proposed as a candidate for potential applications based on calculations within the density functional theory in its local…”
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Ab initio studies of the electronic structure of the quaternary system LiBC 4N 4 by Matar, S.F., Betranhandy, E., Nakhl, M.

“…Starting from experimental data on the synthesis of solid LiBC 4N 4, an ab initio study has been carried out within the DFT-LDA framework of its structure and…”
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In search of new candidates for ultra-hard materials: the ternary BC 3N 3 stoichiometry by Weihrich, R, Matar, S.F, Betranhandy, E

“…Starting from formerly investigated graphitic like C 3N 4, selective substitution of nitrogen with boron led to model structures for the experimentally…”
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First principles study of the stability of SiNF by Betranhandy, Emmanuel, Demazeau, Gérard, Matar, Samir F.

“…Due to the simultaneous presence of both strongly ionic and covalent bonds, nitrofluorides are a new class of materials likely to lead to original properties…”
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First principles search of hard materials within the SiCN ternary system by Betranhandy, Emmanuel, Capou, Lois, Matar, Samir F., El-Kfoury, Charbel

“…Starting from C 3N 4 and Si 3N 4 stoichiometries and from the pseudocubic model structure of the former, intermediate phases SiC 2N 4 and Si 2CN 4 are proposed…”
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In search of new candidates for ultra-hard materials: the ternary BC3N3 stoichiometry by WEIHRICH, R, MATAR, S. F, BETRANHANDY, E

“…Starting from formerly investigated graphitic like C3N4, selective substitution of nitrogen with boron led to model structures for the experimentally observed…”
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