Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF
- Authors:
-
- Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, United States
- Wasatch Molecular, Inc., Salt Lake City, Utah 84103, United States
- 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}
}
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