Reduction Mechanism of Solid Electrolyte Interphase Formation on Lithium Metal Anode: Fluorine-Rich Electrolyte

The DFT-ReaxFF Hybrid Reactive Dynamics Method with Application to the Reductive Decomposition Reaction of the TFSI and DOL Electrolyte at a Lithium–Metal Anode Surface

(2021) Yue Liu et al.   Journal of Physical Chemistry Letters

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

(2021) Jian Tan et al.   Advanced Energy Materials

Effects of High and Low Salt Concentrations in Electrolytes at Lithium–Metal Anode Surfaces Using DFT-ReaxFF Hybrid Molecular Dynamics Method

(2021) Yue Liu et al.   Journal of Physical Chemistry Letters

Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network

(2021) Xiaowei Xie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Predicted Operando Polymerization at Lithium Anode via Boron Insertion

(2021) Yue Liu et al.   ACS Energy Letters

Addressing the sensitivity of signals from solid/liquid ambient pressure XPS (APXPS) measurement

(2020) Jin Qian et al.   JOURNAL OF CHEMICAL PHYSICS

Atomic Insights into the Fundamental Interactions in Lithium Battery Electrolytes

(2020) Xiang Chen et al.   ACCOUNTS OF CHEMICAL RESEARCH

Interface chemistry of an amide electrolyte for highly reversible lithium metal batteries

(2020) Qidi Wang et al.   Nature Communications

Recent Progress in Understanding Solid Electrolyte Interphase on Lithium Metal Anodes

(2020) Haiping Wu et al.   Advanced Energy Materials

Advances and issues in developing salt-concentrated battery electrolytes

(2019) Yuki Yamada et al.   Nature Energy

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

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

Accurate non-bonded potentials based on periodic quantum mechanics calculations for use in molecular simulations of materials and systems

(2019) Saber Naserifar et al.   JOURNAL OF CHEMICAL PHYSICS

Developing High-Performance Lithium Metal Anode in Liquid Electrolytes: Challenges and Progress

(2018) Sa Li et al.   ADVANCED MATERIALS

A multifunctional polymer electrolyte enables ultra-long cycle-life in a high-voltage lithium metal battery

(2018) Tiantian Dong et al.   Energy & Environmental Science

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

(2018) Aiping Wang et al.   npj Computational Materials

Lithium metal stripping beneath the solid electrolyte interphase

(2018) Feifei Shi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Origin of the Reduced Reductive Stability of Ion-Solvent Complexes on Alkali and Alkaline Earth Metal Anodes

(2018) Xiang Chen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Before Li Ion Batteries

(2018) Martin Winter et al.   CHEMICAL REVIEWS

Reviving the lithium metal anode for high-energy batteries

(2017) Dingchang Lin et al.   Nature Nanotechnology

Atomic structure of sensitive battery materials and interfaces revealed by cryo–electron microscopy

(2017) Yuzhang Li et al.   SCIENCE

Multi-scale computation methods: Their applications in lithium-ion battery research and development

(2016) Siqi Shi et al.   Chinese Physics B

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

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

Mechanism of Dissolution of a Lithium Salt in an Electrolytic Solvent in a Lithium Ion Secondary Battery: A Direct Ab Initio Molecular Dynamics (AIMD) Study

(2014) Hiroto Tachikawa   CHEMPHYSCHEM

A review of electrolytes for lithium–sulphur batteries

(2014) Johan Scheers et al.   JOURNAL OF POWER SOURCES

Manipulating surface reactions in lithium–sulphur batteries using hybrid anode structures

(2014) Cheng Huang et al.   Nature Communications

A superconcentrated ether electrolyte for fast-charging Li-ion batteries

(2013) Yuki Yamada et al.   CHEMICAL COMMUNICATIONS

Lithium metal anodes for rechargeable batteries

(2013) Wu Xu et al.   Energy & Environmental Science

Base-Catalyzed Bifunctional Addition to Amides and Imides at Low Temperature. A New Pathway for Carbonyl Hydrogenation

(2013) Jeremy M. John et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effects of Carbonate Solvents and Lithium Salts on Morphology and Coulombic Efficiency of Lithium Electrode

(2013) Fei Ding et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Glyme–Lithium Salt Equimolar Molten Mixtures: Concentrated Solutions or Solvate Ionic Liquids?

(2012) Kazuhide Ueno et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Li–O2 Battery with a Dimethylformamide Electrolyte

(2012) Yuhui Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxidative-Stability Enhancement and Charge Transport Mechanism in Glyme–Lithium Salt Equimolar Complexes

(2011) Kazuki Yoshida et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

Electrochemical Lithium Intercalation into Graphite in Dimethyl Sulfoxide-Based Electrolytes: Effect of Solvation Structure of Lithium Ion

(2010) Yuki Yamada et al.   Journal of Physical Chemistry C

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A