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Title: Evaluating the Free Energies of Solvation and Electronic Structures of Lithium-Ion Battery Electrolytes

Authors:
 [1] ;  [1] ;  [2]
  1. Department of Chemistry, University of Missouri-Columbia, Columbia MO 65211 USA
  2. Center for Nanoscale Materials, Argonne National Laboratory, 9700 S. Cass Ave Argonne IL 60439 USA
Publication Date:
Grant/Contract Number:
AC02-06CH11357; AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
ChemPhysChem
Additional Journal Information:
Journal Name: ChemPhysChem Journal Volume: 17 Journal Issue: 18; Journal ID: ISSN 1439-4235
Publisher:
Wiley Blackwell (John Wiley & Sons)
Sponsoring Org:
USDOE
Country of Publication:
Germany
Language:
English
OSTI Identifier:
1401685

Shakourian-Fard, Mehdi, Kamath, Ganesh, and Sankaranarayanan, Subramanian K. R. S.. Evaluating the Free Energies of Solvation and Electronic Structures of Lithium-Ion Battery Electrolytes. Germany: N. p., Web. doi:10.1002/cphc.201600338.
Shakourian-Fard, Mehdi, Kamath, Ganesh, & Sankaranarayanan, Subramanian K. R. S.. Evaluating the Free Energies of Solvation and Electronic Structures of Lithium-Ion Battery Electrolytes. Germany. doi:10.1002/cphc.201600338.
Shakourian-Fard, Mehdi, Kamath, Ganesh, and Sankaranarayanan, Subramanian K. R. S.. 2016. "Evaluating the Free Energies of Solvation and Electronic Structures of Lithium-Ion Battery Electrolytes". Germany. doi:10.1002/cphc.201600338.
@article{osti_1401685,
title = {Evaluating the Free Energies of Solvation and Electronic Structures of Lithium-Ion Battery Electrolytes},
author = {Shakourian-Fard, Mehdi and Kamath, Ganesh and Sankaranarayanan, Subramanian K. R. S.},
abstractNote = {},
doi = {10.1002/cphc.201600338},
journal = {ChemPhysChem},
number = 18,
volume = 17,
place = {Germany},
year = {2016},
month = {6}
}

Works referenced in this record:

Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries
journal, October 2004

A review on electrolyte additives for lithium-ion batteries
journal, November 2006

General atomic and molecular electronic structure system
journal, November 1993
  • Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.
  • Journal of Computational Chemistry, Vol. 14, Issue 11, p. 1347-1363
  • DOI: 10.1002/jcc.540141112

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
journal, October 1970