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Title: Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics

Authors:
;  [1]; ;  [1]; ;
  1. Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, Pennsylvania 16801, 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) (SC-22); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21)
OSTI Identifier:
1386360
DOE Contract Number:
ERKCC61
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry; Journal Volume: 119; Journal Issue: 4; 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
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

Ong, Mitchell T., Verners, Osvalds, Draeger, Erik W., van Duin, Adri C. T., Lordi, Vincenzo, and Pask, John E. Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics. United States: N. p., 2015. Web. doi:10.1021/jp508184f.
Ong, Mitchell T., Verners, Osvalds, Draeger, Erik W., van Duin, Adri C. T., Lordi, Vincenzo, & Pask, John E. Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics. United States. doi:10.1021/jp508184f.
Ong, Mitchell T., Verners, Osvalds, Draeger, Erik W., van Duin, Adri C. T., Lordi, Vincenzo, and Pask, John E. Wed . "Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics". United States. doi:10.1021/jp508184f.
@article{osti_1386360,
title = {Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics},
author = {Ong, Mitchell T. and Verners, Osvalds and Draeger, Erik W. and van Duin, Adri C. T. and Lordi, Vincenzo and Pask, John E.},
abstractNote = {},
doi = {10.1021/jp508184f},
journal = {Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry},
number = 4,
volume = 119,
place = {United States},
year = {Wed Jan 07 00:00:00 EST 2015},
month = {Wed Jan 07 00:00:00 EST 2015}
}