Výsledky vyhledávání - "David Hamani"

New and refined bond valence parameters for Te4+–F−, Te4+–S2− and Te4+–Se2− ion pairs

Autor: David Hamani, Lyna Torzuoli, Assil Bouzid, Philippe Thomas, Olivier Masson

Publikováno v: Zeitschrift für Kristallographie - Crystalline Materials. 237:435-443

New and refined bond valence parameters related to ion pairs constituted of the tellurium Te4+ cation and non-oxide X n− anions (X = F, S or Se) are proposed. After a selection of specific crystalline structures, the optimization of the bond valenc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a9b93b317cbdd5fff7e249851fa8c75f
https://doi.org/10.1515/zkri-2022-0042

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Localization and steric effect of the lone electron pair of the tellurium Te 4+ cation and other cations of the p -block elements. A systematic study

Autor: David Hamani, Philippe Thomas, Olivier Masson

Publikováno v: Journal of Applied Crystallography
Journal of Applied Crystallography, International Union of Crystallography, 2020, 53 (5), pp.1243-1251. ⟨10.1107/S1600576720010031⟩

A simple method has been developed based on pure geometrical concepts to localize lone pairs (LPs) of cations of thep-block elements and model their steric effect. The method was applied to 1185 structures containing LP cations in 2439 non-equivalent

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::26f0eaea35abb2f49bf261f6a2dfbe4b
https://hal-unilim.archives-ouvertes.fr/hal-03100588

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A Buckingham interatomic potential for thallium oxide (Tl2O): Application to the case of thallium tellurite glasses

Autor: Olivier Masson, Assil Bouzid, Philippe Thomas, Raghvender, David Hamani

Publikováno v: Computational Materials Science. 201:110891

An interatomic potential for simulating the structural properties of thallium (I) oxide (with oxidation state +1) based compounds has been developed by fitting to the experimental crystalline structures of α -Tl 2 Te 2 O 5 , Tl 2 Te 3 O 7 and Tl 2 T

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6b2faf0bc0ffa98b25d3bed711143f45
https://doi.org/10.1016/j.commatsci.2021.110891

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Structural investigation of new tellurite glasses belonging to the TeO2-NbO2.5-WO3 system, and a study of their linear and nonlinear optical properties

Autor: Philippe Thomas, Jean-René Duclere, Mohammed Reda Zaki, Jonathan de Clermont-Gallerande, David Hamani, Maggy Dutreilh-Colas, Tomokatsu Hayakawa, Olivier Masson

Publikováno v: Journal of Non-Crystalline Solids
Journal of Non-Crystalline Solids, Elsevier, 2019, 512, pp.161-173. ⟨10.1016/j.jnoncrysol.2019.02.027⟩

The glass-forming domain, density, thermal, structural and optical properties of new glasses within the TeO2-NbO2.5-WO3 system have been investigated. By means of Raman spectroscopy, a thorough structural analysis of these glasses has been undertaken

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d9a90d25bb3fd6b8d67d7c7b8848260
https://hal-unilim.archives-ouvertes.fr/hal-02361653

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Origin of the strong optical nonlinearity of tellurium oxide–based compounds: The specific case of BaTe 2 O 6

Autor: J. Cornette, A. P. Mirgorodsky, A. Plat, Philippe Thomas, Olivier Masson, David Hamani, Maggy Colas

Publikováno v: Journal of Alloys and Compounds
Journal of Alloys and Compounds, Elsevier, 2016, 661, pp.92-99. ⟨10.1016/j.jallcom.2015.11.160⟩

International audience; This paper is a contribution to the understanding of the crystal chemistry origin of the strong nonlinear optical properties of tellurium oxide-based compounds. The particular case of the BaTe2O6 (BaTeIVTeVIO6) phase has been

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a35d10410d535f30f246541b0dd0d4e
https://doi.org/10.1016/j.jallcom.2015.11.160

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Synthesis, thermal, structural and linear optical properties of new glasses within the TeO2-TiO2-WO3 system

Autor: Olivier Masson, Philippe Thomas, Mohammed Reda Zaki, Jean-René Duclere, David Hamani, Maggy Dutreilh-Colas

Publikováno v: PNCS-ESG 2018
PNCS-ESG 2018, Jul 2018, Saint Malo, France
Journal of Non-Crystalline Solids
Journal of Non-Crystalline Solids, Elsevier, 2018, 484, pp.139-148. ⟨10.1016/j.jnoncrysol.2018.01.034⟩

International audience; The glass-forming domain and physical properties, namely, the density, thermal, structural and linear optical properties of new glasses within the TeO2-TiO2-WO3 system have been investigated. By means of micro-Raman spectrosco

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8f10c37f0ff741f37ab7fc8d8dfd354
https://hal-unilim.archives-ouvertes.fr/hal-02138049

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ChemInform Abstract: Origin of the Strong Optical Nonlinearity of Tellurium Oxide-Based Compounds: The Specific Case of BaTe2O6

Autor: A. P. Mirgorodsky, Philippe Thomas, Olivier Masson, J. Cornette, A. Plat, Maggy Colas, David Hamani

Publikováno v: ChemInform. 47

This paper is a contribution to the understanding of the crystal chemistry origin of the strong nonlinear optical properties of tellurium oxide-based compounds. The particular case of the BaTe2O6 (BaTeIVTeVIO6) phase has been investigated. The struct

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::71b741654c4eca69644c1a505abdad9f
https://doi.org/10.1002/chin.201609007

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Atomistic simulations of TeO2-based glasses: interatomic potentials and molecular dynamics

Autor: Philippe Thomas, Olivier Masson, Abid Berghout, David Hamani, Anastasia Gulenko

Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16 (27), pp.14150-14160. ⟨10.1039/c4cp01273a⟩

International audience; In this work we present for the first time empirical interatomic potentials that are able to reproduce TeO2-based systems. Using these potentials in classical molecular dynamics simulations, we obtained first results for the p

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc903136eb963ecaa5c606890caa6b64
https://hal-unilim.archives-ouvertes.fr/hal-01027449

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Atomistic simulations of TeO₂-based glasses: interatomic potentials and molecular dynamics

Autor: Anastasia, Gulenko, Olivier, Masson, Abid, Berghout, David, Hamani, Philippe, Thomas

Publikováno v: Physical chemistry chemical physics : PCCP. 16(27)

In this work we present for the first time empirical interatomic potentials that are able to reproduce TeO2-based systems. Using these potentials in classical molecular dynamics simulations, we obtained first results for the pure TeO2 glass structure

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::611b16b31c0d467cf50e61345adcba50
https://pubmed.ncbi.nlm.nih.gov/24905883

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NaxVO2 as possible electrode for Na-ion batteries

Autor: Patrick Rozier, David Hamani, Jean-Marie Tarascon, Mohamed Ati

Publikováno v: Electrochemistry Communications
Electrochemistry Communications, Elsevier, 2011, 13 (9), pp.938-941. ⟨10.1016/j.elecom.2011.06.005⟩
Electrochemistry Communications, 2011, 13 (9), pp.938-941. ⟨10.1016/j.elecom.2011.06.005⟩
Electrochemistry Communications, Vol 13, Iss 9, Pp 938-941 (2011)

We report the electrochemical properties vs. Na of the layered NaxVO2 phases having either octahedral or trigonal prismatic symmetries. Both phases can reversibly insert 0.5 Na atom per unit formula leading to sustained reversible capacities of nearl

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7900b11271e363ef634468574a51707f
https://hal.archives-ouvertes.fr/hal-01702291

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