In situ formation of circular and branched oligomers in a localized high concentration electrolyte at the lithium-metal solid electrolyte interphase: a hybrid ab initio and reactive molecular dynamics study

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

Tailoring electrolyte solvation for Li metal batteries cycled at ultra-low temperature

(2021) John Holoubek et al.   Nature Energy

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

Predicted Operando Polymerization at Lithium Anode via Boron Insertion

(2021) Yue Liu et al.   ACS Energy Letters

Pathway of in situ polymerization of 1,3-dioxolane in LiPF6 electrolyte on Li metal anode

(2021) M. Xie et al.   Materials Today Energy

Advanced Liquid Electrolytes for Rechargeable Li Metal Batteries

(2020) Yulin Jie et al.   ADVANCED FUNCTIONAL MATERIALS

Garnet-Type Solid-State Electrolytes: Materials, Interfaces, and Batteries

(2020) Chengwei Wang et al.   CHEMICAL REVIEWS

Mesoporous Silica Reinforced Hybrid Polymer Artificial Layer for High-Energy and Long-Cycling Lithium Metal Batteries

(2020) Chen Wu et al.   ACS Energy Letters

Localized High Concentration Electrolytes for High Voltage Lithium–Metal Batteries: Correlation between the Electrolyte Composition and Its Reductive/Oxidative Stability

(2020) Saul Perez Beltran et al.   CHEMISTRY OF MATERIALS

Design Strategies for Polymer Electrolytes with Ether and Carbonate Groups for Solid-State Lithium Metal Batteries

(2020) Yanbiao Zhao et al.   CHEMISTRY OF MATERIALS

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

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

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

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

Tuning the LUMO Energy of an Organic Interphase to Stabilize Lithium Metal Batteries

(2019) Weidong Zhang et al.   ACS Energy Letters

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

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

(2018) Shuru Chen et al.   ADVANCED MATERIALS

Localized High-Concentration Sulfone Electrolytes for High-Efficiency Lithium-Metal Batteries

(2018) Xiaodi Ren et al.   Chem

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

Reviving the lithium metal anode for high-energy batteries

(2017) Dingchang Lin et al.   Nature Nanotechnology

Electrolyte additive enabled fast charging and stable cycling lithium metal batteries

(2017) Jianming Zheng et al.   Nature Energy

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

High rate and stable cycling of lithium metal anode

(2015) Jiangfeng Qian et al.   Nature Communications

A Review of Solid Electrolyte Interphases on Lithium Metal Anode

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

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

A review of electrolytes for lithium–sulphur batteries

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

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

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

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

(2014) Cheng Huang et al.   Nature Communications

Reduction Mechanisms of Ethylene Carbonate on Si Anodes of Lithium-Ion Batteries: Effects of Degree of Lithiation and Nature of Exposed Surface

(2013) Julibeth M. Martinez de la Hoz et al.   ACS Applied Materials & Interfaces

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

The Li-Ion Rechargeable Battery: A Perspective

(2013) John B. Goodenough 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

A new class of Solvent-in-Salt electrolyte for high-energy rechargeable metallic lithium batteries

(2013) Liumin Suo et al.   Nature Communications

Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF

(2012) Dmitry Bedrov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

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

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

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