How to estimate solid-electrolyte-interphase features when screening electrolyte materials

Toward New Solvents for EDLCs: From Computational Screening to Electrochemical Validation

(2015) Christoph Schütter et al.   Journal of Physical Chemistry C

Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening

(2015) Lei Cheng et al.   Journal of Physical Chemistry Letters

Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: computing infrastructure and collective properties

(2015) Tamara Husch et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Charting the known chemical space for non-aqueous lithium–air battery electrolyte solvents

(2015) Tamara Husch et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

Redox catalysis in organic electrosynthesis: basic principles and recent developments

(2014) Robert Francke et al.   CHEMICAL SOCIETY REVIEWS

Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: evaluation of electronic structure theory methods

(2014) Martin Korth   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrochemical energy storage in a sustainable modern society

(2013) John B. Goodenough   Energy & Environmental Science

Current research trends and prospects among the various materials and designs used in lithium-based batteries

(2013) Ralf Wagner et al.   JOURNAL OF APPLIED ELECTROCHEMISTRY

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

Chemistry, Impedance, and Morphology Evolution in Solid Electrolyte Interphase Films during Formation in Lithium Ion Batteries

(2013) Peng Lu et al.   Journal of Physical Chemistry C

Density Functional Theory Study on Structural and Energetic Characteristics of Graphite Intercalation Compounds

(2013) Ken Tasaki   Journal of Physical Chemistry C

Error estimates for (semi-)empirical dispersion terms and large biomacromolecules

(2013) Martin Korth   ORGANIC & BIOMOLECULAR CHEMISTRY

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Two-electron reduction of ethylene carbonate: A quantum chemistry re-examination of mechanisms

(2012) Kevin Leung   CHEMICAL PHYSICS LETTERS

Li+-solvation/desolvation dictates interphasial processes on graphitic anode in Li ion cells

(2012) Kang Xu et al.   JOURNAL OF MATERIALS RESEARCH

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

(2012) Kevin Leung   Journal of Physical Chemistry C

On the difference in cycling behaviors of lithium-ion battery cell between the ethylene carbonate- and propylene carbonate-based electrolytes

(2011) Ken Tasaki et al.   ELECTROCHIMICA ACTA

Lithium-ion batteries. A look into the future

(2011) Bruno Scrosati et al.   Energy & Environmental Science

Learning to Predict Chemical Reactions

(2011) Matthew A. Kayala et al.   Journal of Chemical Information and Modeling

A review of advanced and practical lithium battery materials

(2011) Rotem Marom et al.   JOURNAL OF MATERIALS CHEMISTRY

Interfacing electrolytes with electrodes in Li ion batteries

(2011) Kang Xu et al.   JOURNAL OF MATERIALS CHEMISTRY

The Lithium–Thiophene Riddle Revisited

(2011) Martin Korth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Low Li+ binding affinity: An important characteristic for additives to form solid electrolyte interphases in Li-ion batteries

(2011) Min Hee Park et al.   JOURNAL OF POWER SOURCES

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

The COSMO and COSMO-RS solvation models

(2011) Andreas Klamt   Wiley Interdisciplinary Reviews-Computational Molecular Science

A review of the features and analyses of the solid electrolyte interphase in Li-ion batteries

(2010) Pallavi Verma et al.   ELECTROCHIMICA ACTA

Electrolytes and Interphasial Chemistry in Li Ion Devices

(2010) Kang Xu   Energies

Third-Generation Hydrogen-Bonding Corrections for Semiempirical QM Methods and Force Fields

(2010) Martin Korth   Journal of Chemical Theory and Computation

Electrochemistry and the Future of the Automobile

(2010) Frederick T. Wagner et al.   Journal of Physical Chemistry Letters

Key challenges in future Li-battery research

(2010) J.- M. Tarascon   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Challenges for Rechargeable Li Batteries†

(2009) John B. Goodenough et al.   CHEMISTRY OF MATERIALS

Solubility of Lithium Salts Formed on the Lithium-Ion Battery Negative Electrode Surface in Organic Solvents

(2009) Ken Tasaki et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Modern Strategies in Electroorganic Synthesis

(2008) Jun-ichi Yoshida et al.   CHEMICAL REVIEWS