J. Creuze
University of Paris-Sud
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Publication
Featured researches published by J. Creuze.
EPL | 2008
Robert Tétot; A. Hallil; J. Creuze; Isabelle Braems
We have developed a new variable-charge model aimed at performing large-scale realistic simulations of oxide surfaces and interfaces. This model is based on the charge equilibration (QEq) method and explicitly takes into account the mixed iono-covalent character of the metal-oxygen bond by means of a tight-binding analytical approach. We present the first results obtained for TiO2 and ZrO2 polymorphs, which are in very good agreement with the experimental data and recent ab initio results.
Journal of Catalysis | 2013
Beien Zhu; Gode Thrimurthulu; Laurent Delannoy; Catherine Louis; C. Mottet; J. Creuze; Bernard Legrand; Hazar Guesmi
Surface Science | 2006
Virginie Moreno; J. Creuze; Fabienne Berthier; C. Mottet; G. Tréglia; Bernard Legrand
Physical Review B | 2008
F. Lequien; J. Creuze; Fabienne Berthier; Isabelle Braems; Bernard Legrand
Physical Review B | 2008
J. Creuze; Isabelle Braems; F. Berthier; C. Mottet; G. Tréglia; Bernard Legrand
Physical Review B | 2009
Carole Chambon; J. Creuze; Alessandro Coati; M. Sauvage-Simkin; Yves Garreau
Physical Review Letters | 2003
Garreau Y; Coati A; Alberto Zobelli; J. Creuze
Physical Review Letters | 2003
Robert Tétot; Fabienne Berthier; J. Creuze; Isabelle Meunier; G. Tréglia; Bernard Legrand
Surface Science | 2008
Isabelle Braems; J. Creuze; Fabienne Berthier; Robert Tétot; Bernard Legrand
Physical Review B | 2006
Isabelle Braems; F. Berthier; J. Creuze; R. Tétot; Bernard Legrand
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