Chemical composition and formation mechanisms in the cathode-electrolyte interface layer of lithium manganese oxide batteries from reactive force field (ReaxFF) based molecular dynamics

Manganese dissolution from LiMn2O4 cathodes at elevated temperature: methylene methanedisulfonate as electrolyte additive

(2015) Renheng Wang et al.   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

3d-Transition metal doped spinels as high-voltage cathode materials for rechargeable lithium-ion batteries

(2014) Aiswarya Bhaskar et al.   PROGRESS IN SOLID STATE CHEMISTRY

Probing the electrode/electrolyte interface in the lithium excess layered oxide Li1.2Ni0.2Mn0.6O2

(2013) Kyler J. Carroll et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2012) Dmitry Bedrov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2012) Kevin Leung   Journal of Physical Chemistry C

The mechanism of HF formation in LiPF6 based organic carbonate electrolytes

(2011) S.F. Lux et al.   ELECTROCHEMISTRY COMMUNICATIONS

Identifying surface structural changes in layered Li-excess nickel manganese oxides in high voltage lithium ion batteries: A joint experimental and theoretical study

(2011) Bo Xu et al.   Energy & Environmental Science

A Novel Method to Improve the Electrochemical Performance of LiMn2O4 Cathode Active Material by CaCO3 Surface Coating

(2011) Halil Şahan et al.   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

Effects of vinylene carbonate on high temperature storage of high voltage Li-ion batteries

(2011) Ji-Yong Eom et al.   JOURNAL OF POWER SOURCES

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

Electrolyte Reactions with the Surface of High Voltage LiNi[sub 0.5]Mn[sub 1.5]O[sub 4] Cathodes for Lithium-Ion Batteries

(2010) Li Yang et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Role of surface coating on cathode materials for lithium-ion batteries

(2010) Zonghai Chen et al.   JOURNAL OF MATERIALS CHEMISTRY

Aspects of the Surface Layer Formation on Li[sub 1+x]Mn[sub 2]O[sub 4−δ] during Electrochemical Cycling

(2010) F. Simmen et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Quantum Chemistry and Molecular Dynamics Simulation Study of Dimethyl Carbonate: Ethylene Carbonate Electrolytes Doped with LiPF6

(2009) Oleg Borodin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Theoretical Investigations on Oxidative Stability of Solvents and Oxidative Decomposition Mechanism of Ethylene Carbonate for Lithium Ion Battery Use

(2009) Lidan Xing et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Lithium batteries: Status, prospects and future

(2009) Bruno Scrosati et al.   JOURNAL OF POWER SOURCES

Development and Application of a ReaxFF Reactive Force Field for Oxidative Dehydrogenation on Vanadium Oxide Catalysts

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dynamic behavior of surface film on LiCoO2 thin film electrode

(2007) Masaki Matsui et al.   JOURNAL OF POWER SOURCES