Interfacial study on solid electrolyte interphase at Li metal anode

Implication for Li dendrite growth

Z. Liu, Y. Qi, Y. X. Lin, L. Chen, P. Lu, Long-qing Chen

Research output: Contribution to journalArticle

39 Citations (Scopus)

Abstract

The Solid electrolyte interphase (SEI), either naturally formed or artificially designed, plays a critical role in the stability and durability of Li-ion batteries (LIBs). It is even more important for high energy density electrodes such as Li metal anodes, which is subjected to large volumetric and interfacial variations due to Li deposition/stripping cycles during operation. Currently, there is a lack of understanding of the role of SEI/Li interfaces and their mechanical and electrochemical properties. In this paper, we present an interfacial study to evaluate the two major SEI components, LiF and Li2CO3, based on density functional theory (DFT) calculations. The calculated interfacial energy results show that the Li2CO3/Li interface has higher interfacial mechanical strength. The density of states (DOS) and electrostatic potential results demonstrate that the LiF/Li interface has higher electron tunneling energy barrier from Li metal to SEI. These results provide quantitative inputs for related meso-scale simulations and valuable insights for advanced electrode protective coating design.

Original languageEnglish (US)
Pages (from-to)A592-A598
JournalJournal of the Electrochemical Society
Volume163
Issue number3
DOIs
StatePublished - Jan 1 2016

Fingerprint

Dendrites (metallography)
Solid electrolytes
Anodes
Metals
Electrodes
Electron tunneling
Energy barriers
Protective coatings
Electrochemical properties
Interfacial energy
Strength of materials
Density functional theory
Electrostatics
Durability
Mechanical properties

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Renewable Energy, Sustainability and the Environment
  • Surfaces, Coatings and Films
  • Electrochemistry
  • Materials Chemistry

Cite this

@article{2c9a57ee02e248dba2c1e3781d261fac,
title = "Interfacial study on solid electrolyte interphase at Li metal anode: Implication for Li dendrite growth",
abstract = "The Solid electrolyte interphase (SEI), either naturally formed or artificially designed, plays a critical role in the stability and durability of Li-ion batteries (LIBs). It is even more important for high energy density electrodes such as Li metal anodes, which is subjected to large volumetric and interfacial variations due to Li deposition/stripping cycles during operation. Currently, there is a lack of understanding of the role of SEI/Li interfaces and their mechanical and electrochemical properties. In this paper, we present an interfacial study to evaluate the two major SEI components, LiF and Li2CO3, based on density functional theory (DFT) calculations. The calculated interfacial energy results show that the Li2CO3/Li interface has higher interfacial mechanical strength. The density of states (DOS) and electrostatic potential results demonstrate that the LiF/Li interface has higher electron tunneling energy barrier from Li metal to SEI. These results provide quantitative inputs for related meso-scale simulations and valuable insights for advanced electrode protective coating design.",
author = "Z. Liu and Y. Qi and Lin, {Y. X.} and L. Chen and P. Lu and Long-qing Chen",
year = "2016",
month = "1",
day = "1",
doi = "10.1149/2.0151605jes",
language = "English (US)",
volume = "163",
pages = "A592--A598",
journal = "Journal of the Electrochemical Society",
issn = "0013-4651",
publisher = "Electrochemical Society, Inc.",
number = "3",

}

Interfacial study on solid electrolyte interphase at Li metal anode : Implication for Li dendrite growth. / Liu, Z.; Qi, Y.; Lin, Y. X.; Chen, L.; Lu, P.; Chen, Long-qing.

In: Journal of the Electrochemical Society, Vol. 163, No. 3, 01.01.2016, p. A592-A598.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Interfacial study on solid electrolyte interphase at Li metal anode

T2 - Implication for Li dendrite growth

AU - Liu, Z.

AU - Qi, Y.

AU - Lin, Y. X.

AU - Chen, L.

AU - Lu, P.

AU - Chen, Long-qing

PY - 2016/1/1

Y1 - 2016/1/1

N2 - The Solid electrolyte interphase (SEI), either naturally formed or artificially designed, plays a critical role in the stability and durability of Li-ion batteries (LIBs). It is even more important for high energy density electrodes such as Li metal anodes, which is subjected to large volumetric and interfacial variations due to Li deposition/stripping cycles during operation. Currently, there is a lack of understanding of the role of SEI/Li interfaces and their mechanical and electrochemical properties. In this paper, we present an interfacial study to evaluate the two major SEI components, LiF and Li2CO3, based on density functional theory (DFT) calculations. The calculated interfacial energy results show that the Li2CO3/Li interface has higher interfacial mechanical strength. The density of states (DOS) and electrostatic potential results demonstrate that the LiF/Li interface has higher electron tunneling energy barrier from Li metal to SEI. These results provide quantitative inputs for related meso-scale simulations and valuable insights for advanced electrode protective coating design.

AB - The Solid electrolyte interphase (SEI), either naturally formed or artificially designed, plays a critical role in the stability and durability of Li-ion batteries (LIBs). It is even more important for high energy density electrodes such as Li metal anodes, which is subjected to large volumetric and interfacial variations due to Li deposition/stripping cycles during operation. Currently, there is a lack of understanding of the role of SEI/Li interfaces and their mechanical and electrochemical properties. In this paper, we present an interfacial study to evaluate the two major SEI components, LiF and Li2CO3, based on density functional theory (DFT) calculations. The calculated interfacial energy results show that the Li2CO3/Li interface has higher interfacial mechanical strength. The density of states (DOS) and electrostatic potential results demonstrate that the LiF/Li interface has higher electron tunneling energy barrier from Li metal to SEI. These results provide quantitative inputs for related meso-scale simulations and valuable insights for advanced electrode protective coating design.

UR - http://www.scopus.com/inward/record.url?scp=84955456937&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84955456937&partnerID=8YFLogxK

U2 - 10.1149/2.0151605jes

DO - 10.1149/2.0151605jes

M3 - Article

VL - 163

SP - A592-A598

JO - Journal of the Electrochemical Society

JF - Journal of the Electrochemical Society

SN - 0013-4651

IS - 3

ER -