Open AccessLithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles Molecular Dynamics
Author(s) -
Mitchell T. Ong,
Vincenzo Lordi,
Erik W. Draeger,
John E. Pask
Publication year - 2016
Publication title -
meeting abstracts/meeting abstracts (electrochemical society. cd-rom)
Language(s) - English
Resource type - Journals
eISSN - 2151-2035
pISSN - 1091-8213
DOI - 10.1149/ma2016-03/2/1221
Subject(s) - solvation , chemical physics , diffusion , electrolyte , molecular dynamics , ion , lithium (medication) , materials science , chemistry , computational chemistry , thermodynamics , physics , organic chemistry , psychology , electrode , psychiatry
This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Support for this work was provided through Scientific Discovery through Advanced Computing (SciDAC) program funded by U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Project Goals PF6 Solvation Li+ Solvation: Ethylene Carbonate
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