We will model electrochemical reactions of electrolytes at lithiumion battery anode surfaces using AIMD simulations and a methodpreviously derived for calibrating the potential of the electrode[Leung and Tenney, JPCC 117: 24224 (2013)].Sandia National Laboratories is a multiprogram laboratory managed andoperated by Sandia Corporation, a wholly owned subsidiary of LockheedMartin Corporation, for the U.S.~Deparment of Energy's National NuclearSecurity Administration under contract DE-AC04-94AL85000.  KL issupported by Nanostructures for Electrical Energy Storage (NEES), anEnergy Frontier Research Center funded by the U.S. Department of Energy,Office of Science, Office of Basic Energy Sciences under Award NumberDESC0001160.

Ab initio molecular dynamics simulations of electrolyte electrochemical reactions on battery electrode surface

248th National Meeting (2014)

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