Solvionic / Austin / Lemont / Grignard / L. A. / Cambridge / /
Company
Argonne National Laboratory / G4 / Sony / Sigma-Aldrich / Lossius L. P. / Rodnyansky A. E. / Engelhard / Lawrence Berkeley National Laboratory / Niya Sa / G2 / Ong S. P. / ASSOCIATED CONTENT / /
Country
France / United States / United Kingdom / / /
Event
Reorganization / /
IndustryTerm
bond dissociation energy / improved velocity-rescaling algorithm / metal reduction / energy minimization / relative chemical trends / chemical decomposition reaction / electrolyte solution / energy gap / solvent dielectric media / energy penalty / different dielectric media / chemical compatibility / chemical breadth / energy density / decreased dissociation energy / bond dissociation energy calculations / metal electrode surface / energy-dependent society / conjugated-gradient energy minimization scheme / metal reduction potentials / energy / metal / decomposition products / intermittent energy sources / lowest reduced energy state / h/kg energy density / metal anode / functional groups / rapid chemical decomposition / metal anode plating/stripping / chemical decomposition involving / electronic devices / higher energy density batteries / solvation energy / chemical decomposition / chemical stability / aqueous solutions / sustainable energy grid / metal potentials / chemical environments / steel / /
MedicalCondition
bond dissociation / dissociation / bond dissociation energy / higher dissociation / dramatically decreased dissociation / better dissociation / /
Organization
U.S. Department of Energy / National Energy Research Scientific Computing Center / Royal Society of Chemistry / American Chemical Society / Joint Center for Energy Storage Research / Ionic Association / /
Person
Gregory / Aurbach / Kristin A. Persson / Anthony K. Burrell / Stability Pair / Ion Pair / Xiaohui Qu / Article However / /
Position
D. J. / additional representative / A. D. J. / General / AUTHOR INFORMATION Corresponding Author kapersson@lbl.gov Author Contributions / T. D. / chair / representative / /
Article pubs.acs.org/JACS The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics