Electronic Structure Modeling of Electrochemical Reactions at Electrode/Electrolyte Interfaces in Lithium Ion Batteries

Leung, Kevin

doi:10.1021/jp308929a

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Electronic Structure Modeling of Electrochemical Reactions at Electrode/Electrolyte Interfaces in Lithium Ion Batteries

Author(s): Kevin Leung ¹

Publication date (Electronic): December 13 2012

Journal: The Journal of Physical Chemistry C

Publisher: American Chemical Society (ACS)

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Generalized Gradient Approximation Made Simple

John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)

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Nonaqueous liquid electrolytes for lithium-based rechargeable batteries.

Kang Xu (2004)

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Hybrid functionals based on a screened Coulomb potential

Jochen Heyd, Gustavo E Scuseria, Matthias Ernzerhof … (2004)

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Author and article information

Journal

Title: The Journal of Physical Chemistry C

Abbreviated Title: J. Phys. Chem. C

Publisher: American Chemical Society (ACS)

ISSN (Print): 1932-7447

ISSN (Electronic): 1932-7455

Publication date Created: January 31 2013

Publication date (Electronic): December 13 2012

Publication date (Print): January 31 2013

Volume: 117

Issue: 4

Pages: 1539-1547

Affiliations

[1 ]Sandia National Laboratories, MS 1415, Albuquerque, New Mexico 87185, United States

Article

DOI: 10.1021/jp308929a

SO-VID: e30cadd1-88e5-4d3d-a26c-bdc2b17092b4

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