Effect of the Electric Double Layer (EDL) in Multicomponent Electrolyte Reduction and Solid Electrolyte Interphase (SEI) Formation in Lithium Batteries

Liquid electrolyte development for low-temperature lithium-ion batteries

(2022) Dion Hubble et al.   Energy & Environmental Science

Kinetically Corrected Monte Carlo–Molecular Dynamics Simulations of Solid Electrolyte Interphase Growth

(2022) Joseph W. Abbott et al.   Journal of Chemical Theory and Computation

Liquid electrolyte: The nexus of practical lithium metal batteries

(2022) Hansen Wang et al.   Joule

Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

(2022) Nan Yao et al.   CHEMICAL REVIEWS

Predicting the Ion Desolvation Pathway of Lithium Electrolytes and Their Dependence on Chemistry and Temperature

(2022) John Holoubek et al.   Journal of Physical Chemistry Letters

Toward a Mechanistic Model of Solid–Electrolyte Interphase Formation and Evolution in Lithium-Ion Batteries

(2022) Evan Walter Clark Spotte-Smith et al.   ACS Energy Letters

Atomistic modelling approaches to understanding the interfaces of ionic liquid electrolytes for batteries and electrochemical devices

(2022) Fangfang Chen   Current Opinion in Electrochemistry

A Growing Appreciation for the Role of LiF in the Solid Electrolyte Interphase

(2021) Jian Tan et al.   Advanced Energy Materials

Anion-Assisted Delivery of Multivalent Cations to Inert Electrodes

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

Toward Unraveling the Origin of Lithium Fluoride in the Solid Electrolyte Interphase

(2021) Chuntian Cao et al.   CHEMISTRY OF MATERIALS

Li-ion battery electrolytes

(2021) Kang Xu   Nature Energy

Stable and Efficient Lithium Metal Anode Cycling through Understanding the Effects of Electrolyte Composition and Electrode Preconditioning

(2021) Dmitrii Rakov et al.   CHEMISTRY OF MATERIALS

Real-time mass spectrometric characterization of the solid–electrolyte interphase of a lithium-ion battery

(2020) Yufan Zhou et al.   Nature Nanotechnology

The Failure of Solid Electrolyte Interphase on Li Metal Anode: Structural Uniformity or Mechanical Strength?

(2020) Xin Shen et al.   Advanced Energy Materials

Investigating the Mechanism of Lithium Transport at Solid Electrolyte Interphases

(2020) Ryan Jorn et al.   Journal of Physical Chemistry C

Efficient Low-Temperature Cycling of Lithium Metal Anodes by Tailoring the Solid-Electrolyte Interphase

(2020) Akila C. Thenuwara et al.   ACS Energy Letters

Effect of Water Concentration in LiPF6-Based Electrolytes on the Formation, Evolution, and Properties of the Solid Electrolyte Interphase on Si Anodes

(2020) Yeyoung Ha et al.   ACS Applied Materials & Interfaces

COMPASS III: automated fitting workflows and extension to ionic liquids

(2020) Reinier L. C. Akkermans et al.   MOLECULAR SIMULATION

Recent Progress in Understanding Solid Electrolyte Interphase on Lithium Metal Anodes

(2020) Haiping Wu et al.   Advanced Energy Materials

Review of Recent Development of In Situ/Operando Characterization Techniques for Lithium Battery Research

(2019) Dongqing Liu et al.   ADVANCED MATERIALS

Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

(2019) Dmitry Bedrov et al.   CHEMICAL REVIEWS

Improving cyclability of Li metal batteries at elevated temperatures and its origin revealed by cryo-electron microscopy

(2019) Jiangyan Wang et al.   Nature Energy

Distinct Nanoscale Interphases and Morphology of Lithium Metal Electrodes Operating at Low Temperatures

(2019) Akila C. Thenuwara et al.   NANO LETTERS

The intrinsic behavior of lithium fluoride in solid electrolyte interphases on lithium

(2019) Mingfu He et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

In situ analytical techniques for battery interface analysis

(2018) Alok M. Tripathi et al.   CHEMICAL SOCIETY REVIEWS

Microscopic Formation Mechanism of Solid Electrolyte Interphase Film in Lithium-Ion Batteries with Highly Concentrated Electrolyte

(2018) Norio Takenaka et al.   Journal of Physical Chemistry C

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

(2018) Aiping Wang et al.   npj Computational Materials

In situ quantification of interphasial chemistry in Li-ion battery

(2018) Tongchao Liu et al.   Nature Nanotechnology

Fluorinated solid electrolyte interphase enables highly reversible solid-state Li metal battery

(2018) Xiulin Fan et al.   Science Advances

A Practical Beginner’s Guide to Cyclic Voltammetry

(2017) Noémie Elgrishi et al.   JOURNAL OF CHEMICAL EDUCATION

Ramifications of Water-in-Salt Interfacial Structure at Charged Electrodes for Electrolyte Electrochemical Stability

(2017) Jenel Vatamanu et al.   Journal of Physical Chemistry Letters

Identifying the Structural Basis for the Increased Stability of the Solid Electrolyte Interphase Formed on Silicon with the Additive Fluoroethylene Carbonate

(2017) Yanting Jin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Surface Fluorination of Reactive Battery Anode Materials for Enhanced Stability

(2017) Jie Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the application of constant electrode potential simulation techniques in atomistic modelling of electric double layers

(2017) Jenel Vatamanu et al.   MOLECULAR SIMULATION

Review on High-Loading and High-Energy Lithium-Sulfur Batteries

(2017) Hong-Jie Peng et al.   Advanced Energy Materials

Fluoroethylene Carbonate as an Important Component for the Formation of an Effective Solid Electrolyte Interphase on Anodes and Cathodes for Advanced Li-Ion Batteries

(2017) Elena Markevich et al.   ACS Energy Letters

Importance of Reduction and Oxidation Stability of High Voltage Electrolytes and Additives

(2016) Samuel A. Delp et al.   ELECTROCHIMICA ACTA

Stability of Solid Electrolyte Interphase Components on Lithium Metal and Reactive Anode Material Surfaces

(2016) Kevin Leung et al.   Journal of Physical Chemistry C

Connecting the irreversible capacity loss in Li-ion batteries with the electronic insulating properties of solid electrolyte interphase (SEI) components

(2016) Yu-Xiao Lin et al.   JOURNAL OF POWER SOURCES

Synergetic Effects of Inorganic Components in Solid Electrolyte Interphase on High Cycle Efficiency of Lithium Ion Batteries

(2016) Qinglin Zhang et al.   NANO LETTERS

Competitive lithium solvation of linear and cyclic carbonates from quantum chemistry

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

Opportunities and insights for reducing fossil fuel consumption by households and organizations

(2016) Paul C. Stern et al.   Nature Energy

A new ether-based electrolyte for dendrite-free lithium-metal based rechargeable batteries

(2016) Rongrong Miao et al.   Scientific Reports

Dielectric Constants for Quantum Chemistry and Li-Ion Batteries: Solvent Blends of Ethylene Carbonate and Ethyl Methyl Carbonate

(2015) David S. Hall 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

Modulation of dendritic patterns during electrodeposition: A nonlinear phase-field model

(2015) Lei Chen et al.   JOURNAL OF POWER SOURCES

In situ methods for Li-ion battery research: A review of recent developments

(2015) P.P.R.M.L. Harks et al.   JOURNAL OF POWER SOURCES

Towards high throughput screening of electrochemical stability of battery electrolytes

(2015) Oleg Borodin et al.   NANOTECHNOLOGY

General method to predict voltage-dependent ionic conduction in a solid electrolyte coating on electrodes

(2015) Jie Pan et al.   PHYSICAL REVIEW B

The synergetic effect of lithium polysulfide and lithium nitrate to prevent lithium dendrite growth

(2015) Weiyang Li et al.   Nature Communications

A Review of Solid Electrolyte Interphases on Lithium Metal Anode

(2015) Xin-Bing Cheng et al.   Advanced Science

Nonlinear phase field model for electrodeposition in electrochemical systems

(2015) Linyun Liang et al.   APPLIED PHYSICS LETTERS

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

On Electrolyte-Dependent Formation of Solid Electrolyte Interphase Film in Lithium-Ion Batteries: Strong Sensitivity to Small Structural Difference of Electrolyte Molecules

(2014) Norio Takenaka et al.   Journal of Physical Chemistry C

In Situ and Quantitative Characterization of Solid Electrolyte Interphases

(2014) Arthur v. Cresce et al.   NANO LETTERS

A Highly Reversible Lithium Metal Anode

(2014) Min Sik Park et al.   Scientific Reports

Atomistic Modeling of the Electrode–Electrolyte Interface in Li-Ion Energy Storage Systems: Electrolyte Structuring

(2013) Ryan Jorn et al.   Journal of Physical Chemistry C

Oxidative Stability and Initial Decomposition Reactions of Carbonate, Sulfone, and Alkyl Phosphate-Based Electrolytes

(2013) Oleg Borodin et al.   Journal of Physical Chemistry C

Two-electron reduction of ethylene carbonate: A quantum chemistry re-examination of mechanisms

(2012) Kevin Leung   CHEMICAL PHYSICS LETTERS

Li+-solvation/desolvation dictates interphasial processes on graphitic anode in Li ion cells

(2012) Kang Xu et al.   JOURNAL OF MATERIALS RESEARCH

Preferential Solvation of Li+ Directs Formation of Interphase on Graphitic Anode

(2011) Arthur von Cresce et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular Simulations of the Electric Double Layer Structure, Differential Capacitance, and Charging Kinetics forN-Methyl-N-propylpyrrolidinium Bis(fluorosulfonyl)imide at Graphite Electrodes

(2011) Jenel Vatamanu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of electrolytes on the structure and evolution of the solid electrolyte interphase (SEI) in Li-ion batteries: A molecular dynamics study

(2011) Sang-Pil Kim et al.   JOURNAL OF POWER SOURCES

Using Atomic Layer Deposition to Hinder Solvent Decomposition in Lithium Ion Batteries: First-Principles Modeling and Experimental Studies

(2011) Kevin Leung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Differentiating Contributions to “Ion Transfer” Barrier from Interphasial Resistance and Li+Desolvation at Electrolyte/Graphite Interface

(2010) Kang Xu et al.   LANGMUIR

Ab initio molecular dynamics simulations of the initial stages of solid–electrolyte interphase formation on lithium ion battery graphitic anodes

(2010) Kevin Leung et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum Chemistry and Molecular Dynamics Simulation Study of Dimethyl Carbonate: Ethylene Carbonate Electrolytes Doped with LiPF6

(2009) Oleg Borodin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids

(2009) Oleg Borodin   JOURNAL OF PHYSICAL CHEMISTRY B

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High-throughput quantum chemistry and virtual screening for lithium ion battery electrolyte additives

(2009) Mathew D. Halls et al.   JOURNAL OF POWER SOURCES

The Solid Electrolyte Interphase – The Most Important and the Least Understood Solid Electrolyte in Rechargeable Li Batteries

(2009) Martin Winter   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Understanding the characteristics of high-voltage additives in Li-ion batteries: Solvent effects

(2008) Young-Kyu Han et al.   JOURNAL OF POWER SOURCES