Gas sensing mechanism of SnO2–F (110) oriented surface from first principles

Zeng, Wen; Miao, Bin; Xu, Shun; Peng, Xianghe

doi:10.1016/j.physe.2013.02.002

Cited by 2 publications

(1 citation statement)

References 17 publications

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“…Previous researches [48][49][50] have shown that the more significant the change of electron structure of material after hydrogen adsorption is, the better the hydrogen sensing performance of the material is. To investigate the effect of noble metal doping on the H 2 sensing performances of the monolayer MoS 2 , we calculated the electronic structure of the noble metal doped monolayer MoS 2 with a H 2 molecule at the most favorable site.…”

Section: Electronic Structure Change After Hydrogen Adsorptionmentioning

confidence: 99%

Effects of noble metal doping on hydrogen sensing performances of monolayer MoS₂

Zheng

Chen

Zhao

et al. 2019

Mater. Res. Express

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To develop a new kind of hydrogen sensor based on monolayer MoS 2 , we investigated effects of noble metal doping on hydrogen sensing performances of the monolayer MoS 2 by using the first principles calculation method. The Cu, Pd, and Pt doping decrease the adsorption energy of a hydrogen molecule on the monolayer MoS 2 , while Ag and Au doping have little effect on the adsorption energy. The adsorption energy change indicates that the Cu, Pd, and Pt doping strengthen the interaction between the hydrogen molecule and the monolayer MoS 2 . The density of states shows that the hybridization of H s, noble metals d, S p, and Mo d orbitals contributes to the adsorption of the hydrogen molecule on the noble metal doped monolayer MoS 2 . The changes in bader charge and charge density difference indicate that noble metal doping increases the charge transfer between the hydrogen molecule and the monolayer MoS 2 . All of the results demonstrate that noble metal doping can improve the hydrogen sensing performances of the monolayer MoS 2 , especially the Pd and Pt doping.

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Section: Electronic Structure Change After Hydrogen Adsorptionmentioning

confidence: 99%

Effects of noble metal doping on hydrogen sensing performances of monolayer MoS₂

Zheng

Chen

Zhao

et al. 2019

Mater. Res. Express

View full text Add to dashboard Cite

show abstract

A non-oxygen adsorption mechanism for hydrogen detection of nanostructured SnO2 based sensors

Luan

Zeng

2019

Materials Research Bulletin

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Gas sensing mechanism of SnO2–F (110) oriented surface from first principles

Cited by 2 publications

References 17 publications

Effects of noble metal doping on hydrogen sensing performances of monolayer MoS₂

Effects of noble metal doping on hydrogen sensing performances of monolayer MoS₂

A non-oxygen adsorption mechanism for hydrogen detection of nanostructured SnO2 based sensors

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Gas sensing mechanism of SnO2–F (110) oriented surface from first principles

Cited by 2 publications

References 17 publications

Effects of noble metal doping on hydrogen sensing performances of monolayer MoS2

Effects of noble metal doping on hydrogen sensing performances of monolayer MoS2

A non-oxygen adsorption mechanism for hydrogen detection of nanostructured SnO2 based sensors

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Effects of noble metal doping on hydrogen sensing performances of monolayer MoS₂

Effects of noble metal doping on hydrogen sensing performances of monolayer MoS₂