A Theoretical Model for Computing Freezing Point Depression of Lithium-Ion Battery Electrolytes

Transport Phenomena in Low Temperature Lithium-Ion Battery Electrolytes

(2021) Alexandra J. Ringsby et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Ion Pairing and Redissociaton in Low-Permittivity Electrolytes for Multivalent Battery Applications

(2020) Julian Self et al.   Journal of Physical Chemistry Letters

Why Does Dimethyl Carbonate Dissociate Li Salt Better Than Other Linear Carbonates? Critical Role of Polar Conformers

(2020) Hyejin Lee et al.   Journal of Physical Chemistry Letters

110th Anniversary: Theory of Activity Coefficients for Lithium Salts in Aqueous and Nonaqueous Solvents and in Solvent Mixtures

(2019) Andrew Robert Crothers et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Transport in Superconcentrated LiPF6 and LiBF4/Propylene Carbonate Electrolytes

(2019) Julian Self et al.   ACS Energy Letters

Cooling-Rate versus Compression-Rate Dependence of the Crystallization in the Glass-Forming Liquid, Propylene Carbonate

(2018) Grzegorz Szklarz et al.   CRYSTAL GROWTH & DESIGN

The Interplay between Salt Association and the Dielectric Properties of Low Permittivity Electrolytes: The Case of LiPF6 and LiAsF6 in Dimethyl Carbonate

(2018) Julian Self et al.   Journal of Physical Chemistry C

A Study of the Transport Properties of Ethylene Carbonate-Free Li Electrolytes

(2018) E. R. Logan et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Some Physical Properties of Ethylene Carbonate-Free Electrolytes

(2018) D. J. Xiong et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Ionic Conduction and Solution Structure in LiPF6 and LiBF4 Propylene Carbonate Electrolytes

(2018) Sunwook Hwang et al.   Journal of Physical Chemistry C

Osmotic and activity coefficients for five lithium salts in three non–aqueous solvents

(2018) Nan Xin et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations

(2017) Brian Doherty et al.   Journal of Chemical Theory and Computation

Electrolyte System for High Voltage Li-Ion Cells

(2016) Remi Petibon et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Competitive lithium solvation of linear and cyclic carbonates from quantum chemistry

(2016) Oleg Borodin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Role of Mixed Solvation and Ion Pairing in the Solution Structure of Lithium Ion Battery Electrolytes

(2015) Daniel M. Seo et al.   Journal of Physical Chemistry C

Li+ Solvation in Pure, Binary, and Ternary Mixtures of Organic Carbonate Electrolytes

(2015) Ioannis Skarmoutsos et al.   Journal of Physical Chemistry C

Differential Thermal Analysis of Li-Ion Cells as an Effective Probe of Liquid Electrolyte Evolution during Aging

(2015) R. P. Day et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

Role of Solution Structure in Solid Electrolyte Interphase Formation on Graphite with LiPF6 in Propylene Carbonate

(2013) Mengyun Nie et al.   Journal of Physical Chemistry C

Understanding Li+–Solvent Interaction in Nonaqueous Carbonate Electrolytes with 17O NMR

(2013) Xavier Bogle et al.   Journal of Physical Chemistry Letters

Comparison of the Debye–Hückel and the Mean Spherical Approximation Theories for Electrolyte Solutions

(2012) Bjørn Maribo-Mogensen et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation

(2011) Raphael F. Ribeiro et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Estimation of Freezing Point Depression, Boiling Point Elevation, and Vaporization Enthalpies of Electrolyte Solutions

(2009) Xinlei Ge et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The Possible Presence of Triple Ions in Electrolyte Solutions of Low Dielectric Permittivity

(2008) Sergio Petrucci et al.   JOURNAL OF SOLUTION CHEMISTRY

Measuring the Salt Activity Coefficient in Lithium-Battery Electrolytes

(2008) Sarah Stewart et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS