Calculation of solvation free energies of Li+ and O2 − ions and neutral lithium–oxygen compounds in acetonitrile using mixed cluster/continuum models

Rechargeable Li-Air Batteries with Carbonate-Based Liquid Electrolytes

(2012) Fuminori MIZUNO et al.   ELECTROCHEMISTRY

Design of Non-aqueous Liquid Electrolytes for Rechargeable Li-O2 Batteries

(2012) Fuminori MIZUNO et al.   ELECTROCHEMISTRY

Investigation of oxygen reduction chemistry in ether and carbonate based electrolytes for Li–O2 batteries

(2012) Hui Wang et al.   ELECTROCHIMICA ACTA

Li–O2 Battery with a Dimethylformamide Electrolyte

(2012) Yuhui Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Lithium-Oxygen Battery with Ether-Based Electrolytes

(2011) Stefan A. Freunberger et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Oxygen Reactions in a Non-Aqueous Li+ Electrolyte

(2011) Zhangquan Peng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Methoxybenzene as an Electrolyte Solvent for the Primary Lithium Metal Air Battery

(2011) Owen Crowther et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries

(2011) V. Viswanathan et al.   JOURNAL OF CHEMICAL PHYSICS

Predicting Solvent Stability in Aprotic Electrolyte Li–Air Batteries: Nucleophilic Substitution by the Superoxide Anion Radical (O2•–)

(2011) Vyacheslav S. Bryantsev et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Spectroscopic Characterization of Solid Discharge Products in Li–Air Cells with Aprotic Carbonate Electrolytes

(2011) Gabriel M. Veith et al.   Journal of Physical Chemistry C

Increased Stability Toward Oxygen Reduction Products for Lithium-Air Batteries with Oligoether-Functionalized Silane Electrolytes

(2011) Zhengcheng Zhang et al.   Journal of Physical Chemistry C

Computational Study of the Mechanisms of Superoxide-Induced Decomposition of Organic Carbonate-Based Electrolytes

(2011) Vyacheslav S. Bryantsev et al.   Journal of Physical Chemistry Letters

Solvents’ Critical Role in Nonaqueous Lithium–Oxygen Battery Electrochemistry

(2011) B. D. McCloskey et al.   Journal of Physical Chemistry Letters

Investigation of the rechargeability of Li–O2 batteries in non-aqueous electrolyte

(2011) Jie Xiao et al.   JOURNAL OF POWER SOURCES

Solvation of Metal Cations in Non-aqueous Liquids

(2011) Michael J. Ziegler et al.   JOURNAL OF SOLUTION CHEMISTRY

Reactions in the Rechargeable Lithium–O2Battery with Alkyl Carbonate Electrolytes

(2011) Stefan A. Freunberger et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the Efficacy of Electrocatalysis in Nonaqueous Li–O2Batteries

(2011) Bryan D. McCloskey et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lithium Peroxide Surfaces Are Metallic, While Lithium Oxide Surfaces Are Not

(2011) Maxwell D. Radin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxygen Reduction by Lithium on Model Carbon and Oxidized Carbon Structures

(2011) Ye Xu et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

A Critical Review of Li/Air Batteries

(2011) Jake Christensen et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Li–O2 and Li–S batteries with high energy storage

(2011) Peter G. Bruce et al.   NATURE MATERIALS

Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton

(2010) Dominik Marx et al.   CHEMICAL REVIEWS

Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery

(2010) J. S. Hummelshøj et al.   JOURNAL OF CHEMICAL PHYSICS

Influence of Nonaqueous Solvents on the Electrochemistry of Oxygen in the Rechargeable Lithium−Air Battery

(2010) Cormac O. Laoire et al.   Journal of Physical Chemistry C

Lithium−Air Battery: Promise and Challenges

(2010) G. Girishkumar et al.   Journal of Physical Chemistry Letters

Shells theory of solvation and the long-range Born correction

(2010) Josefredo R. Pliego   THEORETICAL CHEMISTRY ACCOUNTS

Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters

(2009) Vyacheslav S. Bryantsev et al.   Journal of Chemical Theory and Computation

Parameterization and Validation of Solvation Corrected Atomic Radii†

(2009) Chun-Shan Zuo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Computational Study of Copper(II) Complexation and Hydrolysis in Aqueous Solutions Using Mixed Cluster/Continuum Models

(2009) Vyacheslav S. Bryantsev et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Directly Relating Reduction Energies of Gaseous Eu(H2O)n3+,n= 55−140, to Aqueous Solution: The Absolute SHE Potential and Real Proton Solvation Energy

(2009) William A. Donald et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Conformational Analysis of Olefin−Carbene Ruthenium Metathesis Catalysts

(2009) Diego Benitez et al.   ORGANOMETALLICS

A Universal Approach to Solvation Modeling

(2008) Christopher J. Cramer et al.   ACCOUNTS OF CHEMICAL RESEARCH

Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2RuCHR)

(2008) Diego Benitez et al.   CHEMICAL COMMUNICATIONS

Modeling the electrified solid–liquid interface

(2008) Jan Rossmeisl et al.   CHEMICAL PHYSICS LETTERS

Growth pattern and electronic properties of acetonitrile clusters: A density functional study

(2008) Sandeep Nigam et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models

(2008) Vyacheslav S. Bryantsev et al.   JOURNAL OF PHYSICAL CHEMISTRY B

First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111)

(2008) Michael J. Janik et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

A first-principles study of molecular oxygen dissociation at an electrode surface: a comparison of potential variation and coadsorption effects

(2008) Sally A. Wasileski et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS