Beyond Local Solvation Structure: Nanometric Aggregates in Battery Electrolytes and Their Effect on Electrolyte Properties

Ion Correlations and Their Impact on Transport in Polymer-Based Electrolytes

(2021) Kara D. Fong et al.   MACROMOLECULES

Nanoheterogeneity of LiTFSI Solutions Transitions Close to a Surface and with Concentration

(2021) Mengwei Han et al.   NANO LETTERS

Efficient Lithium Metal Cycling over a Wide Range of Pressures from an Anion-Derived Solid-Electrolyte Interphase Framework

(2021) Hansen Wang et al.   ACS Energy Letters

Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies

(2021) Yong Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Enhancing the performance of lithium oxygen batteries through combining redox mediating salts with a lithium protecting salt

(2021) Alireza Ahmadiparidari et al.   JOURNAL OF POWER SOURCES

Ion Clusters and Networks in Water-in-Salt Electrolytes

(2021) Michael McEldrew et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Localized High Concentration Electrolyte and Its Effects on Polysulfide Structure in Solution

(2021) Ethan P. Kamphaus et al.   Journal of Physical Chemistry C

High Transference Number of Na Ion in Liquid-State Sulfolane Solvates of Sodium Bis(fluorosulfonyl)amide

(2020) Yukihiro Okamoto et al.   Journal of Physical Chemistry C

Signatures of Ion Pairing and Aggregation in the Vibrational Spectroscopy of Super-Concentrated Aqueous Lithium Bistriflimide Solutions

(2020) Nicholas H. C. Lewis et al.   Journal of Physical Chemistry C

Asymmetric Composition of Ionic Aggregates and the Origin of High Correlated Transference Number in Water-in-Salt Electrolytes

(2020) Zhou Yu et al.   Journal of Physical Chemistry Letters

Modeling and Simulation of Concentrated Aqueous Solutions of LiTFSI for Battery Applications

(2020) Jonggu Jeon et al.   Journal of Physical Chemistry C

Theory of ion aggregation and gelation in super-concentrated electrolytes

(2020) Michael McEldrew et al.   JOURNAL OF CHEMICAL PHYSICS

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

Potential-Dependent Layering in the Electrochemical Double Layer of Water-in-Salt Electrolytes

(2020) Ruixian Zhang et al.   ACS Applied Energy Materials

Transport phenomena in electrolyte solutions: Non‐equilibrium thermodynamics and statistical mechanics

(2020) Kara D. Fong et al.   AICHE JOURNAL

Structure and Dynamics of Polysulfide Clusters in a Nonaqueous Solvent Mixture of 1,3-Dioxolane and 1,2-Dimethoxyethane

(2019) Amity Andersen et al.   CHEMISTRY OF MATERIALS

Transport anomalies emerging from strong correlation in ionic liquid electrolytes

(2019) Nicola Molinari et al.   JOURNAL OF POWER SOURCES

Enhanced sampling in molecular dynamics

(2019) Yi Isaac Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Transport in Superconcentrated LiPF6 and LiBF4/Propylene Carbonate Electrolytes

(2019) Julian Self et al.   ACS Energy Letters

High-Voltage Lithium-Metal Batteries Enabled by Localized High-Concentration Electrolytes

(2018) Shuru Chen et al.   ADVANCED MATERIALS

Theoretical Analysis of Carrier Ion Diffusion in Superconcentrated Electrolyte Solutions for Sodium-Ion Batteries

(2018) Masaki Okoshi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics

(2018) Linfeng Zhang et al.   PHYSICAL REVIEW LETTERS

Effect of Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: A Molecular Dynamics Study of PEO–LiTFSI

(2018) Nicola Molinari et al.   CHEMISTRY OF MATERIALS

Insights into the Structure and Transport of the Lithium, Sodium, Magnesium, and Zinc Bis(trifluoromethansulfonyl)imide Salts in Ionic Liquids

(2018) Oleg Borodin et al.   Journal of Physical Chemistry C

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

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

Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes

(2018) Kaoru Dokko et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nanometric Water Channels in Water-in-Salt Lithium Ion Battery Electrolyte

(2018) Joonhyung Lim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Impact of ionic aggregate structure on ionomer mechanical properties from coarse-grained molecular dynamics simulations

(2017) Janani Sampath et al.   JOURNAL OF CHEMICAL PHYSICS

Negative Transference Numbers in Poly(ethylene oxide)-Based Electrolytes

(2017) Danielle M. Pesko et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Directing the Lithium–Sulfur Reaction Pathway via Sparingly Solvating Electrolytes for High Energy Density Batteries

(2017) Chang-Wook Lee et al.   ACS Central Science

Machine learning of accurate energy-conserving molecular force fields

(2017) Stefan Chmiela et al.   Science Advances

Li+Transference Numbers in Liquid Electrolytes Obtained by Very-Low-Frequency Impedance Spectroscopy at Variable Electrode Distances

(2016) F. Wohde et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

The use of ethyl acetate as a sole solvent in highly concentrated electrolyte for Li-ion batteries

(2015) R. Petibon et al.   ELECTROCHIMICA ACTA

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

Direct determination of ionic transference numbers in ionic liquids by electrophoretic NMR

(2015) Martin Gouverneur et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Systematic Computational and Experimental Investigation of Lithium-Ion Transport Mechanisms in Polyester-Based Polymer Electrolytes

(2015) Michael A. Webb et al.   ACS Central Science

General Observation of Lithium Intercalation into Graphite in Ethylene-Carbonate-Free Superconcentrated Electrolytes

(2014) Yuki Yamada et al.   ACS Applied Materials & Interfaces

Observation of separate cation and anion electrophoretic mobilities in pure ionic liquids

(2014) Zhiyang Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanisms of Magnesium Ion Transport in Pyrrolidinium Bis(trifluoromethanesulfonyl)imide-Based Ionic Liquid Electrolytes

(2014) Sebastian Jeremias et al.   Journal of Physical Chemistry C

Unusual Stability of Acetonitrile-Based Superconcentrated Electrolytes for Fast-Charging Lithium-Ion Batteries

(2014) Yuki Yamada et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ionic Aggregate Structure in Ionomer Melts: Effect of Molecular Architecture on Aggregates and the Ionomer Peak

(2011) Lisa M. Hall et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Polymer Architecture and Ionic Aggregation on the Scattering Peak in Model Ionomers

(2011) Lisa M. Hall et al.   PHYSICAL REVIEW LETTERS

Size and composition distribution dynamics of alloy nanoparticle electrocatalysts probed by anomalous small angle X-ray scattering (ASAXS)

(2008) Chengfei Yu et al.   FARADAY DISCUSSIONS