4.6 Article

Hybrid DFT Functional-Based Static and Molecular Dynamics Studies of Excess Electron in Liquid Ethylene Carbonate

Related references

Note: Only part of the references are listed.
Article Electrochemistry

Revisiting LiClO4 as an Electrolyte for Rechargeable Lithium-Ion Batteries

Rotem Marom et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2010)

Article Chemistry, Physical

Deciphering the multi-step degradation mechanisms of carbonate-based electrolyte in Li batteries

Gregory Gachot et al.

JOURNAL OF POWER SOURCES (2008)

Article Electrochemistry

Identification of the source of evolved gas in Li-ion batteries using C-13-labeled solvents

Masamichi Onuki et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2008)

Editorial Material Multidisciplinary Sciences

Insights into current limitations of density functional theory

Aron J. Cohen et al.

SCIENCE (2008)

Article Materials Science, Multidisciplinary

Molecular dynamics studies of combined carbon/electrolyte/lithium-metal oxide interfaces

Andres Marquez

MATERIALS CHEMISTRY AND PHYSICS (2007)

Article Chemistry, Physical

Why does the B3LYP hybrid functional fail for metals?

Joachim Paier et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Correction Chemistry, Physical

Hybrid functionals based on a screened Coulomb potential (vol 118, pg 8207, 2003)

Jochen Heyd et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

LiTFSI structure and transport in ethylene carbonate from molecular dynamics simulations

O Borodin et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Electrochemistry

Reduction mechanisms of ethylene, propylene, and vinylethylene carbonates - A quantum chemical study

JM Vollmer et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2004)

Article Electrochemistry

Analysis of vinylene carbonate derived SEI layers on graphite anode

H Ota et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2004)

Review Chemistry, Multidisciplinary

Nonaqueous liquid electrolytes for lithium-based rechargeable batteries

K Xu

CHEMICAL REVIEWS (2004)

Article Chemistry, Physical

Hybrid functionals based on a screened Coulomb potential

J Heyd et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Chemistry, Physical

Associations of lithium alkyl dicarbonates through O•••Li•••O interactions

YX Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2002)

Article Chemistry, Physical

Associations of alkyl carbonates:: Intermolecular C-H•••O interactions

YX Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2001)

Article Electrochemistry

Molecular dynamics study of graphite/electrolyte interfaces

A Márquez et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2001)