Concentration-dependent ion correlations impact the electrochemical behavior of calcium battery electrolytes

Stability of Calcium Ion Battery Electrolytes: Predictions from Ab Initio Molecular Dynamics Simulations

(2021) Sharma S. R. K. C. Yamijala et al.   ACS Applied Materials & Interfaces

Quantifying Species Populations in Multivalent Borohydride Electrolytes

(2021) Nathan T. Hahn et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

The Influence of Ether Solvent and Anion Coordination on Electrochemical Behavior in Calcium Battery Electrolytes

(2020) Nathan T. Hahn et al.   ACS Applied Energy Materials

Reversible Calcium Plating and Stripping at Room Temperature Using a Borate Salt

(2019) Abhinandan Shyamsunder et al.   ACS Energy Letters

Achievements, Challenges, and Prospects of Calcium Batteries

(2019) M. Elena Arroyo-de Dompablo et al.   CHEMICAL REVIEWS

Cation Solvation and Physicochemical Properties of Ca Battery Electrolytes

(2019) J. D. Forero-Saboya et al.   Journal of Physical Chemistry C

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

Anticorrelated Contributions to Pre-edge Features of Aluminate Near-Edge X-ray Absorption Spectroscopy in Concentrated Electrolytes

(2018) Andrew Wildman et al.   Journal of Physical Chemistry Letters

Plating and stripping calcium in an organic electrolyte

(2017) Da Wang et al.   NATURE MATERIALS

Scaling Analysis of the Screening Length in Concentrated Electrolytes

(2017) Alpha A. Lee et al.   PHYSICAL REVIEW LETTERS

A new class of non-corrosive, highly efficient electrolytes for rechargeable magnesium batteries

(2017) Zhirong Zhao-Karger et al.   Journal of Materials Chemistry A

Tuning the Reversibility of Mg Anodes via Controlled Surface Passivation by H2O/Cl– in Organic Electrolytes

(2016) Justin G. Connell et al.   CHEMISTRY OF MATERIALS

A Fluorinated Alkoxyaluminate Electrolyte for Magnesium-Ion Batteries

(2016) Jake T. Herb et al.   ACS Energy Letters

The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics

(2015) Nav Nidhi Rajput et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polarizable continuum model

(2012) Benedetta Mennucci   Wiley Interdisciplinary Reviews-Computational Molecular Science

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

(2011) Carl Caleman et al.   Journal of Chemical Theory and Computation

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

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

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

Interactions and dynamics in electrolyte solutions by dielectric spectroscopy

(2009) Richard Buchner et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

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

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

Electrolyte Solutions with a Wide Electrochemical Window for Rechargeable Magnesium Batteries

(2007) Oren Mizrahi et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY