Interface Electrochemistry in Conversion Reactions for Li-Ion Batteries - Archive ouverte HAL Access content directly
Journal Articles Journal of Materials Chemistry Year : 2011

Interface Electrochemistry in Conversion Reactions for Li-Ion Batteries

Abstract

This work presents a new methodology based on a multi-interface superlattice approach to investigate interface electrochemistry in conversion reactions, through first-principles DFT or DFT+U calculations. This method is applied to the CoO electrode for which several experimental data are available, and describes the main interface effects by means of three interdependent descriptors, namely the chemical (interface bonding), the mechanical (stress) and the electrical/electrochemical (electric bias) descriptors. Thanks to this decomposition, the most probable interfaces occurring during the CoO conversion have been determined, and a probable electrode morphology has been proposed. Furthermore, the addition of an external redox potential to the multi-interface superlattice has revealed asymmetric electrochemical interface phenomena in charge and discharge, shedding some lights into the voltage hysteresis observed for the CoO conversion/reconversion.
No file

Dates and versions

hal-00564744 , version 1 (09-02-2011)

Identifiers

Cite

Anne-Laure Dalverny, Jean-Sébastien Filhol, Marie-Liesse Doublet. Interface Electrochemistry in Conversion Reactions for Li-Ion Batteries. Journal of Materials Chemistry, 2011, 21, pp.10134-10142. ⟨10.1039/C0JM04202A⟩. ⟨hal-00564744⟩
66 View
0 Download

Altmetric

Share

Gmail Mastodon Facebook X LinkedIn More