First-Principles Density Functional Theory Modeling of Li Binding: Thermodynamics and Redox Properties of Quinone Derivatives for Lithium-Ion Batteries.

The Li-binding thermodynamics and redox potentials of seven different quinone derivatives are investigated to determine their suitability as positive electrode materials for lithium-ion batteries. First, using density functional theory (DFT) calculations on the interactions between the quinone deriv...

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Publicado en:	Journal of the American Chemical Society Vol. 138; no. 7; pp. 2374 - 2383
Autores principales:	Ki Chul Kim, Tianyuan Liu, Seung Woo Lee, Seung Soon Jang
Formato:	Artículo
Publicado:	American Chemical Society 2/24/2016
Materias:	Quinone derivatives Lithium-ion batteries Density functional theory Thermodynamics Atoms Cathodic protection
Acceso en línea:	Ver este registro en EBSCOhost