First-principle calculation of core level binding energies of Li x PO y N z solid electrolyte

Émilie Guille , Isabelle Baraille (1, 2) , Germain Vallverdu (2)

1 IPREM - Institut pluridisciplinaire de recherche sur l'environnement et les matériaux
2 IPREM - Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux

Articles you may be interested in Biased interface between solid ion conductor LiBH4 and lithium metal: A first principles molecular dynamics study Appl.

Keywords: core level energy XPS lithium nitride phosphate electrolyte DFT

Domains: Theoretical and/or physical chemistry; Material chemistry; Analytical chemistry

Émilie Guille, Isabelle Baraille, Germain Vallverdu. First-principle calculation of core level binding energies of Li x PO y N z solid electrolyte. Journal of Chemical Physics, 2014, 141 (24), pp.244703. ⟨10.1063/1.4904720⟩. ⟨hal-03227484⟩