Gas sensing mechanism of SnO2-F (1 1 0) oriented surface from first principles

Wen Zeng; Bin Miao; Shun Xu; Xianghe Peng

doi:10.1016/j.physe.2013.02.002

Gas sensing mechanism of SnO₂-F (1 1 0) oriented surface from first principles

Wen Zeng^*, Bin Miao, Shun Xu, Xianghe Peng

^*Corresponding author for this work

Chongqing University

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

4 Citations (Scopus)

Abstract

The structural, adsorptive and electronic properties of H₂ adsorption on SnO₂-F (1 1 0) surface are investigated by first-principles calculation. The results show that the F-doped (1 1 0) surface is more reducible than that of undoped SnO₂ surfaces, which is mainly attributed to formation of the surface states and larger charges transfer between H₂ molecule and the F-doped (1 1 0) surface. This simulation mechanism may provide the instruction to further explore the SnO ₂-based sensing materials.

Original language	English
Pages (from-to)	68-71
Number of pages	4
Journal	Physica E: Low-Dimensional Systems and Nanostructures
Volume	49
DOIs	https://doi.org/10.1016/j.physe.2013.02.002
Publication status	Published - 2013
Externally published	Yes

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Zeng, W., Miao, B., Xu, S., & Peng, X. (2013). Gas sensing mechanism of SnO₂-F (1 1 0) oriented surface from first principles. Physica E: Low-Dimensional Systems and Nanostructures, 49, 68-71. https://doi.org/10.1016/j.physe.2013.02.002

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title = "Gas sensing mechanism of SnO2-F (1 1 0) oriented surface from first principles",

abstract = "The structural, adsorptive and electronic properties of H2 adsorption on SnO2-F (1 1 0) surface are investigated by first-principles calculation. The results show that the F-doped (1 1 0) surface is more reducible than that of undoped SnO2 surfaces, which is mainly attributed to formation of the surface states and larger charges transfer between H2 molecule and the F-doped (1 1 0) surface. This simulation mechanism may provide the instruction to further explore the SnO 2-based sensing materials.",

author = "Wen Zeng and Bin Miao and Shun Xu and Xianghe Peng",

year = "2013",

doi = "10.1016/j.physe.2013.02.002",

language = "English",

volume = "49",

pages = "68--71",

journal = "Physica E: Low-Dimensional Systems and Nanostructures",

issn = "1386-9477",

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TY - JOUR

T1 - Gas sensing mechanism of SnO2-F (1 1 0) oriented surface from first principles

AU - Zeng, Wen

AU - Miao, Bin

AU - Xu, Shun

AU - Peng, Xianghe

PY - 2013

Y1 - 2013

N2 - The structural, adsorptive and electronic properties of H2 adsorption on SnO2-F (1 1 0) surface are investigated by first-principles calculation. The results show that the F-doped (1 1 0) surface is more reducible than that of undoped SnO2 surfaces, which is mainly attributed to formation of the surface states and larger charges transfer between H2 molecule and the F-doped (1 1 0) surface. This simulation mechanism may provide the instruction to further explore the SnO 2-based sensing materials.

AB - The structural, adsorptive and electronic properties of H2 adsorption on SnO2-F (1 1 0) surface are investigated by first-principles calculation. The results show that the F-doped (1 1 0) surface is more reducible than that of undoped SnO2 surfaces, which is mainly attributed to formation of the surface states and larger charges transfer between H2 molecule and the F-doped (1 1 0) surface. This simulation mechanism may provide the instruction to further explore the SnO 2-based sensing materials.

UR - http://www.scopus.com/inward/record.url?scp=84874880834&partnerID=8YFLogxK

U2 - 10.1016/j.physe.2013.02.002

DO - 10.1016/j.physe.2013.02.002

M3 - Article

AN - SCOPUS:84874880834

SN - 1386-9477

VL - 49

SP - 68

EP - 71

JO - Physica E: Low-Dimensional Systems and Nanostructures

JF - Physica E: Low-Dimensional Systems and Nanostructures

ER -

Gas sensing mechanism of SnO₂-F (1 1 0) oriented surface from first principles

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