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Title: Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF

Authors:
 [1];  [2];  [3]
  1. Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, United States
  2. Wasatch Molecular, Inc., Salt Lake City, Utah 84103, United States
  3. Department of Nuclear and Mechanical Engineering, Pennsylvania State University, State College, Pennsylvania 16802, United States
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1382047
DOE Contract Number:  
ERKCC61
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
Additional Journal Information:
Journal Volume: 116; Journal Issue: 11; Related Information: FIRST partners with Oak Ridge National Laboratory (lead); Argonne National Laboratory; Drexel University; Georgia State University; Northwestern University; Pennsylvania State University; Suffolk University; Vanderbilt University; University of Virginia; Journal ID: ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
catalysis (heterogeneous), solar (fuels), energy storage (including batteries and capacitors), hydrogen and fuel cells, electrodes - solar, mechanical behavior, charge transport, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Bedrov, Dmitry, Smith, Grant D., and van Duin, Adri C. T. Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF. United States: N. p., 2011. Web. doi:10.1021/jp210345b.
Bedrov, Dmitry, Smith, Grant D., & van Duin, Adri C. T. Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF. United States. https://doi.org/10.1021/jp210345b
Bedrov, Dmitry, Smith, Grant D., and van Duin, Adri C. T. 2011. "Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF". United States. https://doi.org/10.1021/jp210345b.
@article{osti_1382047,
title = {Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF},
author = {Bedrov, Dmitry and Smith, Grant D. and van Duin, Adri C. T.},
abstractNote = {},
doi = {10.1021/jp210345b},
url = {https://www.osti.gov/biblio/1382047}, journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
issn = {1089-5639},
number = 11,
volume = 116,
place = {United States},
year = {Thu Dec 01 00:00:00 EST 2011},
month = {Thu Dec 01 00:00:00 EST 2011}
}