Insights into Spontaneous Solid Electrolyte Interphase Formation at Magnesium Metal Anode Surface from Ab Initio Molecular Dynamics Simulations

Factors Influencing Preferential Anion Interactions during Solvation of Multivalent Cations in Ethereal Solvents

(2021) Kee Sung Han et al.   Journal of Physical Chemistry C

Anion-Assisted Delivery of Multivalent Cations to Inert Electrodes

(2021) Artem Baskin et al.   Journal of Physical Chemistry Letters

Probing Conformational Evolution and Associated Dynamics of Mg(N(SO2CF3)2)2·Dimethoxyethane Adduct Using Solid-State 19F and 1H NMR

(2020) Ying Chen et al.   Journal of Physical Chemistry C

Theoretical Insights into Solid Electrolyte Interphase Formation in an Al Anode Dual-Ion Battery

(2020) Sandeep Das et al.   Journal of Physical Chemistry C

Anion Association Strength as a Unifying Descriptor for the Reversibility of Divalent Metal Deposition in Nonaqueous Electrolytes

(2020) Justin G. Connell et al.   ACS Applied Materials & Interfaces

Energy storage emerging: A perspective from the Joint Center for Energy Storage Research

(2020) Lynn Trahey et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Ion Solvation Engineering: How to Manipulate the Multiplicity of the Coordination Environment of Multivalent Ions

(2020) Artem Baskin et al.   Journal of Physical Chemistry Letters

Effects of charged interfaces on electrolyte decomposition at the lithium metal anode

(2020) Luis E. Camacho-Forero et al.   JOURNAL OF POWER SOURCES

Promises and Challenges of Next-Generation “Beyond Li-ion” Batteries for Electric Vehicles and Grid Decarbonization

(2020) Yaosen Tian et al.   CHEMICAL REVIEWS

Structure and dynamics in the lithium solvation shell of nonaqueous electrolytes

(2019) Sungho Han   Scientific Reports

Role of Inorganic Surface Layer on Solid Electrolyte Interphase Evolution at Li-Metal Anodes

(2019) Ethan P. Kamphaus et al.   ACS Applied Materials & Interfaces

Electrode–electrolyte interfaces in lithium-based batteries

(2018) Xingwen Yu et al.   Energy & Environmental Science

Reaction Pathways for Solvent Decomposition on Magnesium Anodes

(2018) Jeffrey S. Lowe et al.   Journal of Physical Chemistry C

Ethylene Carbonate-Based Electrolyte Decomposition and Solid–Electrolyte Interphase Formation on Ca Metal Anodes

(2018) Joshua Young et al.   Journal of Physical Chemistry Letters

Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

(2018) Aiping Wang et al.   npj Computational Materials

Computational Design of New Magnesium Electrolytes with Improved Properties

(2017) Xiaohui Qu et al.   Journal of Physical Chemistry C

Plating and stripping calcium in an organic electrolyte

(2017) Da Wang et al.   NATURE MATERIALS

Elucidating electrolyte decomposition under electron-rich environments at the lithium-metal anode

(2017) Luis E. Camacho-Forero et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Role of Chloride for a Simple, Non-Grignard Mg Electrolyte in Ether-Based Solvents

(2016) Niya Sa et al.   ACS Applied Materials & Interfaces

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

The Role of MgCl2 as a Lewis Base in ROMgCl-MgCl2 Electrolytes for Magnesium-Ion Batteries

(2016) Baofei Pan et al.   ChemSusChem

Exploration of the Detailed Conditions for Reductive Stability of Mg(TFSI)2 in Diglyme: Implications for Multivalent Electrolytes

(2016) Artem Baskin et al.   Journal of Physical Chemistry C

Effects of High and Low Salt Concentration in Electrolytes at Lithium–Metal Anode Surfaces

(2016) Luis E. Camacho-Forero et al.   Journal of Physical Chemistry C

Passivation Dynamics in the Anisotropic Deposition and Stripping of Bulk Magnesium Electrodes During Electrochemical Cycling

(2015) David J. Wetzel et al.   ACS Applied Materials & Interfaces

An Efficient Halogen-Free Electrolyte for Use in Rechargeable Magnesium Batteries

(2015) Oscar Tutusaus et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics

(2015) Mitchell T. Ong et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Improving Electrodeposition of Mg through an Open Circuit Potential Hold

(2015) Jennifer L. Esbenshade et al.   Journal of Physical Chemistry C

Reactivity at the Lithium–Metal Anode Surface of Lithium–Sulfur Batteries

(2015) Luis E. Camacho-Forero et al.   Journal of Physical Chemistry C

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

Evaluation of (CF3SO2)2N−(TFSI) Based Electrolyte Solutions for Mg Batteries

(2015) Ivgeni Shterenberg et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Towards a calcium-based rechargeable battery

(2015) A. Ponrouch et al.   NATURE MATERIALS

Magnesium(II) Bis(trifluoromethane sulfonyl) Imide-Based Electrolytes with Wide Electrochemical Windows for Rechargeable Magnesium Batteries

(2014) Se-Young Ha et al.   ACS Applied Materials & Interfaces

Rechargeable magnesium battery: Current status and key challenges for the future

(2014) Partha Saha et al.   PROGRESS IN MATERIALS SCIENCE

Magnesium batteries: Current state of the art, issues and future perspectives

(2014) Rana Mohtadi et al.   Beilstein Journal of Nanotechnology

Mg rechargeable batteries: an on-going challenge

(2013) Hyun Deog Yoo et al.   Energy & Environmental Science

Electrical energy storage for transportation—approaching the limits of, and going beyond, lithium-ion batteries

(2012) Michael M. Thackeray et al.   Energy & Environmental Science

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

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