Effects of noble metal doping on hydrogen sensing performances of monolayer MoS2
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 molecul...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2019-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/ab5b43 |
| _version_ | 1797747139463348224 |
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| author | Zheng Zhang Kai Chen Qiang Zhao Mei Huang Xiaoping Ouyang |
| author_facet | Zheng Zhang Kai Chen Qiang Zhao Mei Huang Xiaoping Ouyang |
| author_sort | Zheng Zhang |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-12T15:46:54Z |
| format | Article |
| id | doaj.art-55053e1ec1394c02b5a965607044b392 |
| institution | Directory Open Access Journal |
| issn | 2053-1591 |
| language | English |
| last_indexed | 2024-03-12T15:46:54Z |
| publishDate | 2019-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | Materials Research Express |
| spelling | doaj.art-55053e1ec1394c02b5a965607044b3922023-08-09T15:22:03ZengIOP PublishingMaterials Research Express2053-15912019-01-017101550110.1088/2053-1591/ab5b43Effects of noble metal doping on hydrogen sensing performances of monolayer MoS2Zheng Zhang0Kai Chen1Qiang Zhao2https://orcid.org/0000-0003-4719-6808Mei Huang3Xiaoping Ouyang4Beijing Key Laboratory of Passive Safety Technology for Nuclear Energy, North China Electric Power University , Beijing 102206, People’s Republic of China; School of Nuclear Science and Engineering, North China Electric Power University , Beijing 102206, People’s Republic of ChinaBeijing Key Laboratory of Passive Safety Technology for Nuclear Energy, North China Electric Power University , Beijing 102206, People’s Republic of China; School of Nuclear Science and Engineering, North China Electric Power University , Beijing 102206, People’s Republic of ChinaBeijing Key Laboratory of Passive Safety Technology for Nuclear Energy, North China Electric Power University , Beijing 102206, People’s Republic of China; School of Nuclear Science and Engineering, North China Electric Power University , Beijing 102206, People’s Republic of ChinaBeijing Key Laboratory of Passive Safety Technology for Nuclear Energy, North China Electric Power University , Beijing 102206, People’s Republic of China; School of Nuclear Science and Engineering, North China Electric Power University , Beijing 102206, People’s Republic of ChinaSchool of Nuclear Science and Engineering, North China Electric Power University , Beijing 102206, People’s Republic of China; Northwest Institute of Nuclear Technology, Xi’an 710024, People’s Republic of China; School of Materials Science and Engineering, Xiangtan University , Xiangtan 411105, People’s Republic of ChinaTo 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.https://doi.org/10.1088/2053-1591/ab5b43hydrogen sensingnoble metal dopingmonolayer MoS2first principles calculation |
| spellingShingle | Zheng Zhang Kai Chen Qiang Zhao Mei Huang Xiaoping Ouyang Effects of noble metal doping on hydrogen sensing performances of monolayer MoS2 Materials Research Express hydrogen sensing noble metal doping monolayer MoS2 first principles calculation |
| title | Effects of noble metal doping on hydrogen sensing performances of monolayer MoS2 |
| title_full | Effects of noble metal doping on hydrogen sensing performances of monolayer MoS2 |
| title_fullStr | Effects of noble metal doping on hydrogen sensing performances of monolayer MoS2 |
| title_full_unstemmed | Effects of noble metal doping on hydrogen sensing performances of monolayer MoS2 |
| title_short | Effects of noble metal doping on hydrogen sensing performances of monolayer MoS2 |
| title_sort | effects of noble metal doping on hydrogen sensing performances of monolayer mos2 |
| topic | hydrogen sensing noble metal doping monolayer MoS2 first principles calculation |
| url | https://doi.org/10.1088/2053-1591/ab5b43 |
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