Reactivity-Guided Interface Design in Na Metal Solid-State Batteries

Yaosen Tian; Yingzhi Sun; Daniel C. Hannah; Yihan Xiao; Hao Liu; Karena W. Chapman; Shou Hang Bo; Gerbrand Ceder

doi:10.1016/j.joule.2018.12.019

Reactivity-Guided Interface Design in Na Metal Solid-State Batteries

Yaosen Tian
, Yingzhi Sun
, Daniel C. Hannah
, Yihan Xiao
, Hao Liu
, Karena W. Chapman
, Shou Hang Bo
, Gerbrand Ceder

Chemistry

University of California at Berkeley
Lawrence Berkeley National Laboratory
United States Department of Energy
Shanghai Jiao Tong University

Research output: Contribution to journal › Article › peer-review

164 Scopus citations

Abstract

A key requirement for achieving high-energy density in solid-state batteries is highly efficient cycling of an alkali metal anode in a safe manner. Herein, we combine first-principles calculations and experimental characterizations to identify a protective hydrate coating for Na₃SbS₄ that leads to a passivating interface and greatly enhanced stability. The buried interface is characterized using post-operando synchrotron X-ray depth profiling. This finding identifies hydrates as promising for improving the metal/electrolyte interfacial stability and suggests a general strategy for interface design.

Original language	English
Pages (from-to)	1037-1050
Number of pages	14
Journal	Joule
Volume	3
Issue number	4
DOIs	https://doi.org/10.1016/j.joule.2018.12.019
State	Published - Apr 17 2019

Keywords

coating
computation
first-principles
high-energy density
hydrate
interfacial stability
metal anode
solid electrolyte
solid-state batteries
synchrotron X-ray diffraction

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10.1016/j.joule.2018.12.019

Cite this

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title = "Reactivity-Guided Interface Design in Na Metal Solid-State Batteries",

abstract = "A key requirement for achieving high-energy density in solid-state batteries is highly efficient cycling of an alkali metal anode in a safe manner. Herein, we combine first-principles calculations and experimental characterizations to identify a protective hydrate coating for Na3SbS4 that leads to a passivating interface and greatly enhanced stability. The buried interface is characterized using post-operando synchrotron X-ray depth profiling. This finding identifies hydrates as promising for improving the metal/electrolyte interfacial stability and suggests a general strategy for interface design.",

keywords = "coating, computation, first-principles, high-energy density, hydrate, interfacial stability, metal anode, solid electrolyte, solid-state batteries, synchrotron X-ray diffraction",

author = "Yaosen Tian and Yingzhi Sun and Hannah, \{Daniel C.\} and Yihan Xiao and Hao Liu and Chapman, \{Karena W.\} and Bo, \{Shou Hang\} and Gerbrand Ceder",

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doi = "10.1016/j.joule.2018.12.019",

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T1 - Reactivity-Guided Interface Design in Na Metal Solid-State Batteries

AU - Tian, Yaosen

AU - Sun, Yingzhi

AU - Hannah, Daniel C.

AU - Xiao, Yihan

AU - Liu, Hao

AU - Chapman, Karena W.

AU - Bo, Shou Hang

AU - Ceder, Gerbrand

PY - 2019/4/17

Y1 - 2019/4/17

N2 - A key requirement for achieving high-energy density in solid-state batteries is highly efficient cycling of an alkali metal anode in a safe manner. Herein, we combine first-principles calculations and experimental characterizations to identify a protective hydrate coating for Na3SbS4 that leads to a passivating interface and greatly enhanced stability. The buried interface is characterized using post-operando synchrotron X-ray depth profiling. This finding identifies hydrates as promising for improving the metal/electrolyte interfacial stability and suggests a general strategy for interface design.

AB - A key requirement for achieving high-energy density in solid-state batteries is highly efficient cycling of an alkali metal anode in a safe manner. Herein, we combine first-principles calculations and experimental characterizations to identify a protective hydrate coating for Na3SbS4 that leads to a passivating interface and greatly enhanced stability. The buried interface is characterized using post-operando synchrotron X-ray depth profiling. This finding identifies hydrates as promising for improving the metal/electrolyte interfacial stability and suggests a general strategy for interface design.

KW - coating

KW - computation

KW - first-principles

KW - high-energy density

KW - hydrate

KW - interfacial stability

KW - metal anode

KW - solid electrolyte

KW - solid-state batteries

KW - synchrotron X-ray diffraction

UR - https://www.scopus.com/pages/publications/85062890177

U2 - 10.1016/j.joule.2018.12.019

DO - 10.1016/j.joule.2018.12.019

M3 - Article

AN - SCOPUS:85062890177

SN - 2542-4351

VL - 3

SP - 1037

EP - 1050

JO - Joule

JF - Joule

IS - 4

ER -

Reactivity-Guided Interface Design in Na Metal Solid-State Batteries

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Keywords

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