First-principles Study of Mechanical and Electronic Properties of Co-Sn Intermetallics for Lithium Ion Battery Anode

Wei Dong; Ding Shen; Shaobin Yang; Bing Liang; Xuelei Wang; Yue Liu; Sinan Li

doi:10.1007/s40242-018-7340-x

First-principles Study of Mechanical and Electronic Properties of Co-Sn Intermetallics for Lithium Ion Battery Anode

Wei Dong
, Ding Shen^*
, Shaobin Yang
, Bing Liang
, Xuelei Wang
, Yue Liu
, Sinan Li

^*Corresponding author for this work

Liaoning Technical University

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

17 Citations (Scopus)

Abstract

The equilibrium structures, formation energy, mechanical properties and electronic properties of Co-Sn intermetallics have been systemically studied by first-principles study. The results show that the CoSn phase is more thermodynamically stable than any other stoichiometry of Co-Sn intermetallics. With the increasing of Co content in Co-Sn intermetallics, the mechanical properties change into brittle behavior from ductility character. Adding proper amount of Co to Co-Sn intermetallics can improve the cycle performance for lithium ion battery anode. However, high Co content will lead to a poor cycle performance for Co-Sn intermetallics.

Original language	English
Pages (from-to)	235-240
Number of pages	6
Journal	Chemical Research in Chinese Universities
Volume	34
Issue number	2
DOIs	https://doi.org/10.1007/s40242-018-7340-x
Publication status	Published - 1 Apr 2018
Externally published	Yes

Keywords

Co-Sn intermetallic
Electronic property
First-principle
Lithium ion battery
Mechanical property

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1007/s40242-018-7340-x

Cite this

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title = "First-principles Study of Mechanical and Electronic Properties of Co-Sn Intermetallics for Lithium Ion Battery Anode",

abstract = "The equilibrium structures, formation energy, mechanical properties and electronic properties of Co-Sn intermetallics have been systemically studied by first-principles study. The results show that the CoSn phase is more thermodynamically stable than any other stoichiometry of Co-Sn intermetallics. With the increasing of Co content in Co-Sn intermetallics, the mechanical properties change into brittle behavior from ductility character. Adding proper amount of Co to Co-Sn intermetallics can improve the cycle performance for lithium ion battery anode. However, high Co content will lead to a poor cycle performance for Co-Sn intermetallics.",

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author = "Wei Dong and Ding Shen and Shaobin Yang and Bing Liang and Xuelei Wang and Yue Liu and Sinan Li",

note = "Publisher Copyright: {\textcopyright} 2018, Jilin University, The Editorial Department of Chemical Research in Chinese Universities and Springer-Verlag GmbH Germany, part of Springer Nature.",

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doi = "10.1007/s40242-018-7340-x",

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AU - Dong, Wei

AU - Shen, Ding

AU - Yang, Shaobin

AU - Liang, Bing

AU - Wang, Xuelei

AU - Liu, Yue

AU - Li, Sinan

PY - 2018/4/1

Y1 - 2018/4/1

N2 - The equilibrium structures, formation energy, mechanical properties and electronic properties of Co-Sn intermetallics have been systemically studied by first-principles study. The results show that the CoSn phase is more thermodynamically stable than any other stoichiometry of Co-Sn intermetallics. With the increasing of Co content in Co-Sn intermetallics, the mechanical properties change into brittle behavior from ductility character. Adding proper amount of Co to Co-Sn intermetallics can improve the cycle performance for lithium ion battery anode. However, high Co content will lead to a poor cycle performance for Co-Sn intermetallics.

AB - The equilibrium structures, formation energy, mechanical properties and electronic properties of Co-Sn intermetallics have been systemically studied by first-principles study. The results show that the CoSn phase is more thermodynamically stable than any other stoichiometry of Co-Sn intermetallics. With the increasing of Co content in Co-Sn intermetallics, the mechanical properties change into brittle behavior from ductility character. Adding proper amount of Co to Co-Sn intermetallics can improve the cycle performance for lithium ion battery anode. However, high Co content will lead to a poor cycle performance for Co-Sn intermetallics.

KW - Co-Sn intermetallic

KW - Electronic property

KW - First-principle

KW - Lithium ion battery

KW - Mechanical property

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DO - 10.1007/s40242-018-7340-x

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SN - 1005-9040

VL - 34

SP - 235

EP - 240

JO - Chemical Research in Chinese Universities

JF - Chemical Research in Chinese Universities

IS - 2

ER -

First-principles Study of Mechanical and Electronic Properties of Co-Sn Intermetallics for Lithium Ion Battery Anode

Abstract

Keywords

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