Impact of Chemical Follow-up Reactions for Lithium Ion Electrolytes: Generation of Nucleophilic Species, Solid Electrolyte Interphase, and Gas Formation

Voltage Dependent Solid Electrolyte Interphase Formation in Silicon Electrodes: Monitoring the Formation of Organic Decomposition Products

(2015) Alison L. Michan et al.   CHEMISTRY OF MATERIALS

Formation and Growth Mechanisms of Solid-Electrolyte Interphase Layers in Rechargeable Batteries

(2015) Fernando A. Soto et al.   CHEMISTRY OF MATERIALS

The Electrolyte Genome project: A big data approach in battery materials discovery

(2015) Xiaohui Qu et al.   COMPUTATIONAL MATERIALS SCIENCE

The Formation Mechanism of Fluorescent Metal Complexes at the LixNi0.5Mn1.5O4−δ/Carbonate Ester Electrolyte Interface

(2015) Angélique Jarry et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrode Side Reactions, Capacity Loss and Mechanical Degradation in Lithium-Ion Batteries

(2015) Jiagang Xu et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Towards high throughput screening of electrochemical stability of battery electrolytes

(2015) Oleg Borodin et al.   NANOTECHNOLOGY

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

Reduction Reactions of Carbonate Solvents for Lithium Ion Batteries

(2014) D. M. Seo et al.   ECS Electrochemistry Letters

Toward First Principles Prediction of Voltage Dependences of Electrolyte/Electrolyte Interfacial Processes in Lithium Ion Batteries

(2013) Kevin Leung 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

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

(2012) Kevin Leung   CHEMICAL PHYSICS LETTERS

Li-Carboxylate Anode Structure-Property Relationships from Molecular Modeling

(2012) Stephen E. Burkhardt et al.   CHEMISTRY OF MATERIALS

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

Electronic Structure Modeling of Electrochemical Reactions at Electrode/Electrolyte Interfaces in Lithium Ion Batteries

(2012) Kevin Leung   Journal of Physical Chemistry C

Solid–Electrolyte Interphase Formation and Electrolyte Reduction at Li-Ion Battery Graphite Anodes: Insights from First-Principles Molecular Dynamics

(2012) P. Ganesh et al.   Journal of Physical Chemistry C

Correlating Li+ Solvation Sheath Structure with Interphasial Chemistry on Graphite

(2012) Arthur von Wald Cresce et al.   Journal of Physical Chemistry C

Theoretical study of the reductive decomposition of 1,3-propane sultone: SEI forming additive in lithium-ion batteries

(2012) Ermias Girma Leggesse et al.   RSC Advances

Molecular Dynamics Simulation Studies of the Structure of a Mixed Carbonate/LiPF6 Electrolyte near Graphite Surface as a Function of Electrode Potential

(2011) Jenel Vatamanu et al.   Journal of Physical Chemistry C

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

Gas Chromatography/Mass Spectrometry As a Suitable Tool for the Li-Ion Battery Electrolyte Degradation Mechanisms Study

(2010) Grégory Gachot et al.   ANALYTICAL CHEMISTRY

A High Precision Study of the Coulombic Efficiency of Li-Ion Batteries

(2010) A. J. Smith et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Ab initio molecular dynamics simulations of the initial stages of solid–electrolyte interphase formation on lithium ion battery graphitic anodes

(2010) Kevin Leung et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2008) Gregory Gachot et al.   JOURNAL OF POWER SOURCES