MoTe2: A Promising Candidate for SF6 Decomposition Gas Sensors with High Sensitivity and Selectivity

Da Wei Wang; Xiao Hua Wang; Ai Jun Yang; Ji Feng Chu; Pin Lei Lv; Yang Liu; Ming Zhe Rong

doi:10.1109/LED.2017.2786322

MoTe₂: A Promising Candidate for SF₆ Decomposition Gas Sensors with High Sensitivity and Selectivity

Da Wei Wang
, Xiao Hua Wang
, Ai Jun Yang
, Ji Feng Chu
, Pin Lei Lv
, Yang Liu
, Ming Zhe Rong

School of Electrical Engineering

Xi'an Jiaotong University

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

94 Scopus citations

Abstract

In this letter, we took a first principles calculation of five SF₆ decomposition gas molecules (SO₂, H₂ S, SOF₂, SO₂F₂, and SF₆) adsorption on monolayer MoTe₂. By calculating adsorption energy, charge transfer, and work function combined with differential charge density analysis, we predict that MoTe₂ is sensitive and selective to the SO₂ molecule. Furthermore, the total density of states analysis and projected density of states analysis demonstrate that the orbital hybridization is the main reason of the intense charge transfer between the SO₂ molecule and monolayer MoTe₂. In summary, it can be concluded that MoTe₂ is a promising candidate for SF₆ decomposition gas sensors with high sensitivity and selectivity.

Original language	English
Article number	8234558
Pages (from-to)	292-295
Number of pages	4
Journal	IEEE Electron Device Letters
Volume	39
Issue number	2
DOIs	https://doi.org/10.1109/LED.2017.2786322
State	Published - Feb 2018

Keywords

MoTe
SFdecomposition gas
first principles calculation
selectivity

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10.1109/LED.2017.2786322

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title = "MoTe2: A Promising Candidate for SF6 Decomposition Gas Sensors with High Sensitivity and Selectivity",

abstract = "In this letter, we took a first principles calculation of five SF6 decomposition gas molecules (SO2, H2 S, SOF2, SO2F2, and SF6) adsorption on monolayer MoTe2. By calculating adsorption energy, charge transfer, and work function combined with differential charge density analysis, we predict that MoTe2 is sensitive and selective to the SO2 molecule. Furthermore, the total density of states analysis and projected density of states analysis demonstrate that the orbital hybridization is the main reason of the intense charge transfer between the SO2 molecule and monolayer MoTe2. In summary, it can be concluded that MoTe2 is a promising candidate for SF6 decomposition gas sensors with high sensitivity and selectivity.",

keywords = "MoTe, SFdecomposition gas, first principles calculation, selectivity",

author = "Wang, \{Da Wei\} and Wang, \{Xiao Hua\} and Yang, \{Ai Jun\} and Chu, \{Ji Feng\} and Lv, \{Pin Lei\} and Yang Liu and Rong, \{Ming Zhe\}",

note = "Publisher Copyright: {\textcopyright} 1980-2012 IEEE.",

year = "2018",

month = feb,

doi = "10.1109/LED.2017.2786322",

language = "英语",

volume = "39",

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T2 - A Promising Candidate for SF6 Decomposition Gas Sensors with High Sensitivity and Selectivity

AU - Wang, Da Wei

AU - Wang, Xiao Hua

AU - Yang, Ai Jun

AU - Chu, Ji Feng

AU - Lv, Pin Lei

AU - Liu, Yang

AU - Rong, Ming Zhe

PY - 2018/2

Y1 - 2018/2

N2 - In this letter, we took a first principles calculation of five SF6 decomposition gas molecules (SO2, H2 S, SOF2, SO2F2, and SF6) adsorption on monolayer MoTe2. By calculating adsorption energy, charge transfer, and work function combined with differential charge density analysis, we predict that MoTe2 is sensitive and selective to the SO2 molecule. Furthermore, the total density of states analysis and projected density of states analysis demonstrate that the orbital hybridization is the main reason of the intense charge transfer between the SO2 molecule and monolayer MoTe2. In summary, it can be concluded that MoTe2 is a promising candidate for SF6 decomposition gas sensors with high sensitivity and selectivity.

AB - In this letter, we took a first principles calculation of five SF6 decomposition gas molecules (SO2, H2 S, SOF2, SO2F2, and SF6) adsorption on monolayer MoTe2. By calculating adsorption energy, charge transfer, and work function combined with differential charge density analysis, we predict that MoTe2 is sensitive and selective to the SO2 molecule. Furthermore, the total density of states analysis and projected density of states analysis demonstrate that the orbital hybridization is the main reason of the intense charge transfer between the SO2 molecule and monolayer MoTe2. In summary, it can be concluded that MoTe2 is a promising candidate for SF6 decomposition gas sensors with high sensitivity and selectivity.

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KW - SFdecomposition gas

KW - first principles calculation

KW - selectivity

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DO - 10.1109/LED.2017.2786322

M3 - 文章

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SN - 0741-3106

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JO - IEEE Electron Device Letters

JF - IEEE Electron Device Letters

IS - 2

M1 - 8234558

ER -

MoTe₂: A Promising Candidate for SF₆ Decomposition Gas Sensors with High Sensitivity and Selectivity

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