Electrochemical oxidation stability of anions for modern battery electrolytes: a CBS and DFT study

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

Towards high energy density sodium ion batteries through electrolyte optimization

(2013) Alexandre Ponrouch et al.   Energy & Environmental Science

Reduction of Carbonate Electrolytes and the Formation of Solid-Electrolyte Interface (SEI) in Lithium-Ion Batteries. 2. Radiolytically Induced Polymerization of Ethylene Carbonate

(2013) Ilya A. Shkrob et al.   Journal of Physical Chemistry C

Reduction of Carbonate Electrolytes and the Formation of Solid-Electrolyte Interface (SEI) in Lithium-Ion Batteries. 1. Spectroscopic Observations of Radical Intermediates Generated in One-Electron Reduction of Carbonates

(2013) Ilya A. Shkrob et al.   Journal of Physical Chemistry C

Oxidative Stability and Initial Decomposition Reactions of Carbonate, Sulfone, and Alkyl Phosphate-Based Electrolytes

(2013) Oleg Borodin et al.   Journal of Physical Chemistry C

The Li-Ion Rechargeable Battery: A Perspective

(2013) John B. Goodenough et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Modern battery electrolytes: Ion–ion interactions in Li+/Na+ conductors from DFT calculations

(2012) Erlendur Jónsson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Novel pseudo-delocalized anions for lithium battery electrolytes

(2012) Erlendur Jónsson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Oxidation induced decomposition of ethylene carbonate from DFT calculations – importance of explicitly treating surrounding solvent

(2012) Lidan Xing et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations

(2011) Shyue Ping Ong et al.   CHEMISTRY OF MATERIALS

On the effectiveness of CCSD(T) complete basis set extrapolations for atomization energies

(2011) David Feller et al.   JOURNAL OF CHEMICAL PHYSICS

New covalent salts of the 4+V class for Li batteries

(2011) Leszek Niedzicki et al.   JOURNAL OF POWER SOURCES

Describing Anions by Density Functional Theory: Fractional Electron Affinity

(2010) Frank Jensen   Journal of Chemical Theory and Computation

Lithium bis(fluorosulfonyl)imide (LiFSI) as conducting salt for nonaqueous liquid electrolytes for lithium-ion batteries: Physicochemical and electrochemical properties

(2010) Hong-Bo Han et al.   JOURNAL OF POWER SOURCES

In situ FTIR study of the decomposition of N-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)amide ionic liquid during cathodic polarization of lithium and graphite electrodes

(2009) E. Markevich et al.   ELECTROCHIMICA ACTA

Convergence of the CCSD(T) Correction Term for the Stacked Complex Methyl Adenine−Methyl Thymine: Comparison with Lower-Cost Alternatives

(2009) M. Pitoňák et al.   Journal of Chemical Theory and Computation

Erratum: “A novel form for the exchange-correlation energy functional” [J. Chem. Phys. 109, 400 (1998)]

(2008) Troy Van Voorhis et al.   JOURNAL OF CHEMICAL PHYSICS