First-Principles Modeling of the Initial Stages of Organic Solvent Decomposition on LixMn2O4(100) Surfaces

Leung, Kevin

doi:10.1021/jp212415x

Title: First-Principles Modeling of the Initial Stages of Organic Solvent Decomposition on LixMn2O4(100) Surfaces

Journal Article · Thu May 10 00:00:00 EDT 2012 · J. Phys. Chem. C

DOI:https://doi.org/10.1021/jp212415x· OSTI ID:1066548

Leung, Kevin

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Nanostructures for Electrical Energy Storage (NEES)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC0001160

OSTI ID:: 1066548

Journal Information:: J. Phys. Chem. C, Vol. 116 (18); Related Information: NEES partners with University of Maryland (lead); University of California, Irvine; University of Florida; Los Alamos National Laboratory; Sandia National Laboratories; Yale University

Country of Publication:: United States

Language:: English

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Theoretical Insights into Oxidation States of Transition Metals at (001) and (111) LiNi _0.5 Mn _1.5 O ₄ Spinel Surfaces Intan, Nadia N.; Klyukin, Konstantin; Alexandrov, Vitaly Journal of The Electrochemical Society, Vol. 165, Issue 5 https://doi.org/10.1149/2.1251805jes	journal	January 2018
First-principles study on thermodynamic stability of the hybrid interfacial structure of LiMn ₂ O ₄ cathode and carbonate electrolyte in Li-ion batteries Choi, Daehyeon; Kang, Joonhee; Park, Jinwoo Physical Chemistry Chemical Physics, Vol. 20, Issue 17 https://doi.org/10.1039/c7cp08037a	journal	January 2018
Transition Metal Dissolution, Ion Migration, Electrocatalytic Reduction and Capacity Loss in Lithium-Ion Full Cells Gilbert, James A.; Shkrob, Ilya A.; Abraham, Daniel P. Journal of The Electrochemical Society, Vol. 164, Issue 2 https://doi.org/10.1149/2.1111702jes	journal	December 2016
A perspective on the high-voltage LiMn1.5Ni0.5O4 spinel cathode for lithium-ion batteries Manthiram, Arumugam; Chemelewski, Katharine; Lee, Eun-Sung Energy & Environmental Science, Vol. 7, Issue 4 https://doi.org/10.1039/c3ee42981d	journal	January 2014
Electrochemical and Electronic Charge Transport Properties of Ni-Doped LiMn2O4 Spinel Obtained from Polyol-Mediated Synthesis Yang, Shuo; Schmidt, Dirk Oliver; Khetan, Abhishek RWTH Aachen University https://doi.org/10.18154/rwth-2018-224400	text	January 2018
Kinetics-Controlled Degradation Reactions at Crystalline LiPON/Li(x)CoO(2) and Crystalline LiPON/Li-metal Interfaces Leung, Kevin; Pearse, Alexander J.; Talin, A. Alec arXiv https://doi.org/10.48550/arxiv.1806.09003	text	January 2018

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