Tellurium: A High-Performance Cathode for Magnesium Ion Batteries Based on a Conversion Mechanism

Ze CHEN; Qi YANG; Donghong WANG; Ao CHEN; Xinliang LI; Zhaodong HUANG; Guojin LIANG; Ying WANG; Chunyi ZHI

doi:10.1021/acsnano.1c07939

Tellurium: A High-Performance Cathode for Magnesium Ion Batteries Based on a Conversion Mechanism

Ze CHEN, Qi YANG, Donghong WANG, Ao CHEN, Xinliang LI, Zhaodong HUANG, Guojin LIANG, Ying WANG^*, Chunyi ZHI^*

^*Corresponding author for this work

Research output: Journal Publications › Journal Article (refereed) › peer-review

47 Citations (Scopus)

Abstract

Magnesium ion batteries (MIBs), due to the low redox potential of Mg, high theoretical capacity, dendrite-free magnesiation, and safe nature, have been recognized as a post-lithium energy storage system. However, an ongoing challenge, sluggish Mg²⁺ kinetics in the small number of available cathode materials of MIBs, restricts its further development. The existing cathodes mostly deliver unsatisfactory capacity with poor cycling life based on the traditional ion-intercalation mechanism. Herein, we fabricated a conversion-type Mg∥Te battery based on a reversible two-step conversion reaction (Te to MgTe₂ to MgTe). High discharge capacities (387 mAh g^–1) and rate capability (165 mAh g^–1 at 5 A g^–1) can be achieved. The diffusivity of Mg²⁺ can reach 3.54 × 10^–8 cm² s^–1, enabled by the high electrical conductivity of Te and increased surface conversion sites. Subsequently, ab initio molecular dynamics simulation was also carried out to further confirm the conversion mechanism and fast Mg²⁺ transportation kinetics.

Original language	English
Pages (from-to)	5349-5357
Number of pages	9
Journal	ACS Nano
Volume	16
Issue number	4
Early online date	31 Mar 2022
DOIs	https://doi.org/10.1021/acsnano.1c07939
Publication status	Published - 26 Apr 2022
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2022 American Chemical Society.

Funding

This research was supported by the National Key R&D Program of China under Project 2019YFA0705104. The computational time is supported by the computing center of Jilin University, Computing Center of Jilin Province, and Computing Center of Changchun Institute of Applied Chemistry.

Keywords

magnesium ion batteries
tellurium
conversion-type mechanism
shuttle effect
carbon host materials

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10.1021/acsnano.1c07939

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title = "Tellurium: A High-Performance Cathode for Magnesium Ion Batteries Based on a Conversion Mechanism",

abstract = "Magnesium ion batteries (MIBs), due to the low redox potential of Mg, high theoretical capacity, dendrite-free magnesiation, and safe nature, have been recognized as a post-lithium energy storage system. However, an ongoing challenge, sluggish Mg2+ kinetics in the small number of available cathode materials of MIBs, restricts its further development. The existing cathodes mostly deliver unsatisfactory capacity with poor cycling life based on the traditional ion-intercalation mechanism. Herein, we fabricated a conversion-type Mg∥Te battery based on a reversible two-step conversion reaction (Te to MgTe2 to MgTe). High discharge capacities (387 mAh g–1) and rate capability (165 mAh g–1 at 5 A g–1) can be achieved. The diffusivity of Mg2+ can reach 3.54 × 10–8 cm2 s–1, enabled by the high electrical conductivity of Te and increased surface conversion sites. Subsequently, ab initio molecular dynamics simulation was also carried out to further confirm the conversion mechanism and fast Mg2+ transportation kinetics.",

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author = "Ze CHEN and Qi YANG and Donghong WANG and Ao CHEN and Xinliang LI and Zhaodong HUANG and Guojin LIANG and Ying WANG and Chunyi ZHI",

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AU - CHEN, Ze

AU - YANG, Qi

AU - WANG, Donghong

AU - CHEN, Ao

AU - LI, Xinliang

AU - HUANG, Zhaodong

AU - LIANG, Guojin

AU - WANG, Ying

AU - ZHI, Chunyi

PY - 2022/4/26

Y1 - 2022/4/26

N2 - Magnesium ion batteries (MIBs), due to the low redox potential of Mg, high theoretical capacity, dendrite-free magnesiation, and safe nature, have been recognized as a post-lithium energy storage system. However, an ongoing challenge, sluggish Mg2+ kinetics in the small number of available cathode materials of MIBs, restricts its further development. The existing cathodes mostly deliver unsatisfactory capacity with poor cycling life based on the traditional ion-intercalation mechanism. Herein, we fabricated a conversion-type Mg∥Te battery based on a reversible two-step conversion reaction (Te to MgTe2 to MgTe). High discharge capacities (387 mAh g–1) and rate capability (165 mAh g–1 at 5 A g–1) can be achieved. The diffusivity of Mg2+ can reach 3.54 × 10–8 cm2 s–1, enabled by the high electrical conductivity of Te and increased surface conversion sites. Subsequently, ab initio molecular dynamics simulation was also carried out to further confirm the conversion mechanism and fast Mg2+ transportation kinetics.

AB - Magnesium ion batteries (MIBs), due to the low redox potential of Mg, high theoretical capacity, dendrite-free magnesiation, and safe nature, have been recognized as a post-lithium energy storage system. However, an ongoing challenge, sluggish Mg2+ kinetics in the small number of available cathode materials of MIBs, restricts its further development. The existing cathodes mostly deliver unsatisfactory capacity with poor cycling life based on the traditional ion-intercalation mechanism. Herein, we fabricated a conversion-type Mg∥Te battery based on a reversible two-step conversion reaction (Te to MgTe2 to MgTe). High discharge capacities (387 mAh g–1) and rate capability (165 mAh g–1 at 5 A g–1) can be achieved. The diffusivity of Mg2+ can reach 3.54 × 10–8 cm2 s–1, enabled by the high electrical conductivity of Te and increased surface conversion sites. Subsequently, ab initio molecular dynamics simulation was also carried out to further confirm the conversion mechanism and fast Mg2+ transportation kinetics.

KW - magnesium ion batteries

KW - tellurium

KW - conversion-type mechanism

KW - shuttle effect

KW - carbon host materials

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Tellurium: A High-Performance Cathode for Magnesium Ion Batteries Based on a Conversion Mechanism

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