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Title: Lithium-electrolyte solvation and reaction in the electrolyte of a lithium ion battery: A ReaxFF reactive force field study

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [4]
  1. Department of Material Science and Engineering, Energy and Environment Science & Technology Directorate, Idaho National Laboratory, Idaho Falls, Idaho 83402, USA, Department of Mechanical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA
  2. Department of Material Science and Engineering, Energy and Environment Science & Technology Directorate, Idaho National Laboratory, Idaho Falls, Idaho 83402, USA
  3. Department of Energy Storage and Advanced Transportation, Energy and Environment Science & Technology Directorate, Idaho National Laboratory, Idaho Falls, Idaho 83402, USA
  4. Department of Mechanical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1617753
Grant/Contract Number:  
AC07-05ID14517
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 152 Journal Issue: 18; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Hossain, Md Jamil, Pawar, Gorakh, Liaw, Boryann, Gering, Kevin L., Dufek, Eric J., and van Duin, Adri C. T. Lithium-electrolyte solvation and reaction in the electrolyte of a lithium ion battery: A ReaxFF reactive force field study. United States: N. p., 2020. Web. doi:10.1063/5.0003333.
Hossain, Md Jamil, Pawar, Gorakh, Liaw, Boryann, Gering, Kevin L., Dufek, Eric J., & van Duin, Adri C. T. Lithium-electrolyte solvation and reaction in the electrolyte of a lithium ion battery: A ReaxFF reactive force field study. United States. doi:https://doi.org/10.1063/5.0003333
Hossain, Md Jamil, Pawar, Gorakh, Liaw, Boryann, Gering, Kevin L., Dufek, Eric J., and van Duin, Adri C. T. Thu . "Lithium-electrolyte solvation and reaction in the electrolyte of a lithium ion battery: A ReaxFF reactive force field study". United States. doi:https://doi.org/10.1063/5.0003333.
@article{osti_1617753,
title = {Lithium-electrolyte solvation and reaction in the electrolyte of a lithium ion battery: A ReaxFF reactive force field study},
author = {Hossain, Md Jamil and Pawar, Gorakh and Liaw, Boryann and Gering, Kevin L. and Dufek, Eric J. and van Duin, Adri C. T.},
abstractNote = {},
doi = {10.1063/5.0003333},
journal = {Journal of Chemical Physics},
number = 18,
volume = 152,
place = {United States},
year = {2020},
month = {5}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: https://doi.org/10.1063/5.0003333

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