skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Energy landscape of the charge transfer reaction at the complex Li/SEI/electrolyte interface


The charge transfer reaction is the fundamental reaction for rechargeable batteries.

 [1]; ORCiD logo [1]
  1. Department of Chemical Engineering and Materials Science; Michigan State University; East Lansing; USA
Publication Date:
Research Org.:
General Motors LLC, Detroit, MI (United States); Michigan State Univ., East Lansing, MI (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
DOE Contract Number:  
EE0007787; EE0007803
Resource Type:
Journal Article
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Volume: 12; Journal Issue: 4; Journal ID: ISSN 1754-5692
Royal Society of Chemistry
Country of Publication:
United States
Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology

Citation Formats

Li, Yunsong, and Qi, Yue. Energy landscape of the charge transfer reaction at the complex Li/SEI/electrolyte interface. United States: N. p., 2019. Web. doi:10.1039/c8ee03586e.
Li, Yunsong, & Qi, Yue. Energy landscape of the charge transfer reaction at the complex Li/SEI/electrolyte interface. United States.
Li, Yunsong, and Qi, Yue. Tue . "Energy landscape of the charge transfer reaction at the complex Li/SEI/electrolyte interface". United States.
title = {Energy landscape of the charge transfer reaction at the complex Li/SEI/electrolyte interface},
author = {Li, Yunsong and Qi, Yue},
abstractNote = {The charge transfer reaction is the fundamental reaction for rechargeable batteries.},
doi = {10.1039/c8ee03586e},
url = {}, journal = {Energy & Environmental Science},
issn = {1754-5692},
number = 4,
volume = 12,
place = {United States},
year = {2019},
month = {1}

Works referenced in this record:

Nonlinear phase-field model for electrode-electrolyte interface evolution
journal, November 2012

A Combined Theoretical and Experimental Study for Silver Electroplating
journal, January 2014

Effect of Electrolyte Composition on Lithium Dendrite Growth
journal, January 2008

In situ NMR observation of the formation of metallic lithium microstructures in lithium batteries
journal, May 2010

Factors Which Limit the Cycle Life of Rechargeable Lithium (Metal) Batteries
journal, January 2000

Atomistic Modeling of Corrosion Events at the Interface between a Metal and Its Environment
journal, January 2012

Charge transfer kinetics at the solid–solid interface in porous electrodes
journal, April 2014

The Effect of Interfacial Deformation on Electrodeposition Kinetics
journal, January 2004

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry
journal, March 2017

Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement
journal, February 2017

Charge Transport in Nanostructured Materials: Implementation and Verification of Constrained Density Functional Theory
journal, April 2017

First-principles computational electrochemistry: Achievements and challenges
journal, December 2012

Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO 2 : New Theoretical Insights from an Improved Electrochemical Model
journal, April 2016

Electric Field Effects in Electrochemical CO 2 Reduction
journal, September 2016

Integrating Ab Initio Simulations and X-ray Photoelectron Spectroscopy: Toward A Realistic Description of Oxidized Solid/Liquid Interfaces
journal, December 2017

Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries
journal, October 2004

Electrolytes and Interphases in Li-Ion Batteries and Beyond
journal, October 2014

Electrochemical impedance spectroscopy study of the SEI formation on graphite and metal electrodes
journal, February 2006

Using Atomic Layer Deposition to Hinder Solvent Decomposition in Lithium Ion Batteries: First-Principles Modeling and Experimental Studies
journal, September 2011

Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries
journal, March 2018

Toward First Principles Prediction of Voltage Dependences of Electrolyte/Electrolyte Interfacial Processes in Lithium Ion Batteries
journal, November 2013

Solvated Li-Ion Transfer at Interface Between Graphite and Electrolyte
journal, January 2004

Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties
journal, September 1998

A new battery-charging method suggested by molecular dynamics simulations
journal, January 2010

Atomistic Modeling of the Electrode–Electrolyte Interface in Li-Ion Energy Storage Systems: Electrolyte Structuring
journal, February 2013

Structure of Water at Charged Interfaces: A Molecular Dynamics Study
journal, June 2014

Corrected Values for Boiling Points and Enthalpies of Vaporization of Elements in Handbooks
journal, February 2011

Li + Solvation in Pure, Binary, and Ternary Mixtures of Organic Carbonate Electrolytes
journal, February 2015

First-principles calculations for work function and surface energy of thin lithium films
journal, March 1996

Theoretical Studies To Understand Surface Chemistry on Carbon Anodes for Lithium-Ion Batteries:  Reduction Mechanisms of Ethylene Carbonate
journal, November 2001

The absolute electrode potential: an explanatory note (Recommendations 1986)
journal, January 1986

Density-functional tight-binding for beginners
journal, November 2009

Reviving the lithium metal anode for high-energy batteries
journal, March 2017

Interfacial Study on Solid Electrolyte Interphase at Li Metal Anode: Implication for Li Dendrite Growth
journal, January 2016

Interfacing electrolytes with electrodes in Li ion batteries
journal, January 2011

Direct Calculation of Li-Ion Transport in the Solid Electrolyte Interphase
journal, September 2012