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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 119, 2021 - Issue 7
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Research Article

Adsorption of CO, H2S and CH4 molecules on SnS2 monolayer: a first-principles study

Long Lina Henan Key Laboratory of Materials on Deep-Earth Engineering, School of Materials Science and Engineering, Henan Polytechnic University, Jiaozuo, People’s Republic of ChinaView further author information
,
Ruixin Chena Henan Key Laboratory of Materials on Deep-Earth Engineering, School of Materials Science and Engineering, Henan Polytechnic University, Jiaozuo, People’s Republic of ChinaView further author information
,
Jingtao Huangb School of Materials Science and Engineering, Harbin Institute of Technology, Harbin, People’s Republic of ChinaCorrespondence[email protected]
View further author information
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Pengtao Wangc School of Material Science and Engineering, Shaanxi University of Science and Technology, Shaanxi, People’s Republic of ChinaView further author information
,
Linghao Zhud College of Chemistry and Chemical Engineering, Henan Polytechnic University, Jiaozuo, People’s Republic of ChinaView further author information
,
Linwei Yaoa Henan Key Laboratory of Materials on Deep-Earth Engineering, School of Materials Science and Engineering, Henan Polytechnic University, Jiaozuo, People’s Republic of ChinaView further author information
,
Chencheng Hua Henan Key Laboratory of Materials on Deep-Earth Engineering, School of Materials Science and Engineering, Henan Polytechnic University, Jiaozuo, People’s Republic of ChinaView further author information
,
Hualong Taoe Liaoning Key Materials Laboratory for Railway, School of Materials Science and Engineering, Dalian Jiaotong University, Dalian, People’s Republic of ChinaView further author information
&
Zhanying Zhanga Henan Key Laboratory of Materials on Deep-Earth Engineering, School of Materials Science and Engineering, Henan Polytechnic University, Jiaozuo, People’s Republic of ChinaView further author information
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Article: e1856429 | Received 27 Aug 2020, Accepted 18 Nov 2020, Published online: 15 Dec 2020

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Aref Aasi, Roohollah Javahersaz, Sadegh Mehdi Aghaei & Balaji Panchapakesan. (2022) Novel green phosphorene as a superior gas sensor for dissolved gas analysis in oil transformers: using DFT method. Molecular Simulation 48:6, pages 541-550.
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Articles from other publishers (8)

Yuliang Mao, Na Li, Hui Chen & Ding Ding. (2024) The sensing properties of asphyxiating gas molecules (CH4, CO and H2S) adsorption on GaP3 monolayer: A first principle study. Materials Today Communications 39, pages 108649.
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Duo Yang, Qiaobang Xiang, Yu Xue & Ningbo Liao. (2024) Theoretical Investigation of TiSiO 4 Monolayer Membranes for Highly Selective H 2 S Detection from Hazardous Gas Mixtures . ACS Applied Nano Materials 7:2, pages 1684-1690.
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Xing Zhou & Yuliang Mao. (2023) The Adsorption Effect of Methane Gas Molecules on Monolayer PbSe with and without Vacancy Defects: A First-Principles Study. Nanomaterials 13:9, pages 1566.
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Langang Li, Zichun Chai, Wei Jin, Hui Sun, Junhui He, Guoqing Wu & Weiwei Xia. (2023) Sulfur vacancy in SnS2 nanoflake adjusted by precursor and improved photocatalytic performance. Journal of Alloys and Compounds 932, pages 167658.
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Yingang Gui, Xiaoyan Hu, Shiping Zhu & Xianping Chen. (2022) A DFT study of transition metal (Ag, Au, Co) modified SnS2 monolayer for the detection and adsorption of the representative gases (NH3, Cl2, and C2H2) in greenhouses. Materials Today Communications 33, pages 104618.
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Vipin Kumar, Kaptan Rajput & Debesh R. Roy. (2022) Sensing applications of GeBi nanosheet for environmentally toxic/non-toxic gases: Insights from density functional theory calculations. Applied Surface Science 606, pages 154741.
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Li Yan, Shao-Yi Wu, Yi Yang, Jian-Guo Hu, Zhang-Ting Wei & Si-Ying Zhong. (2022) Density functional theory study of BiRun (n = 3–20) clusters: Structural, electronic and adsorptive properties for hazardous gases. Computational and Theoretical Chemistry 1209, pages 113623.
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Ying Chen, Yingang Gui & Xianping Chen. (2021) Adsorption and gas-sensing properties of C2H4, CH4, H2, H2O on metal oxides (CuO, NiO) modified SnS2 monolayer: A DFT study. Results in Physics 28, pages 104680.
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