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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 119, 2021 - Issue 14
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Research Articles

Adsorption and sensing for SF6 decomposed gases by Pt-BN monolayer: a DFT study

Jia-Yu LiCollege of Electrical Engineering and Information Technology, Sichuan University, Chengdu, People’s Republic of ChinaCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0002-6188-9865
ORCID Icon,
Peng WangCollege of Electrical Engineering and Information Technology, Sichuan University, Chengdu, People’s Republic of China
&
Shakeel AkramCollege of Electrical Engineering and Information Technology, Sichuan University, Chengdu, People’s Republic of China
Article: e1950856 | Received 23 Apr 2021, Accepted 26 Jun 2021, Published online: 13 Jul 2021

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Mouhssin Boulbazine & Abdel-Ghani Boudjahem. (2023) Stability and electronic sensitivity of CunM (M = Co, Mn, Pd, Au and V; n = 3–8) nanoclusters towards HCOOH molecule: a computational study. Molecular Physics 121:22.
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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 (5)

Sina Pourebrahimi, Alex De Visscher & Gilles H. Peslherbe. (2024) DFT Investigation of Pt-doped CTF-1 Covalent Triazine Frameworks for Adsorption and Sensing of SF6 Decomposition Products. Surfaces and Interfaces, pages 104404.
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Yan Zhang, Cong Qin, Linghao Zhu, Yan Wang & Jianliang Cao. (2023) Adsorption of NO 2 , NO, NH 3 , and CO on Noble Metal (Rh, Pd, Ag, Ir, Pt, Au)-Modified Hexagonal Boron Nitride Monolayers: A First-Principles Study . Langmuir 40:1, pages 1058-1071.
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Dandan Wu, Fang Xu, Aling Ma, Zhenzhen Wang, Fanghui Wu, Guohong Fan & Hong Xu. (2023) A comparative DFT study of H2S adsorption and sensor properties of pristine, mono- and bimetallic cobalt doped arsenene. Computational and Theoretical Chemistry 1226, pages 114222.
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Min Hu, Yao Luo, Gang Wei, Ling-Yun Gao, Zheng-Qin Cao & Hai-Yan Zhang. (2023) Adsorption of HF and H 2 S on α-Al 2 O 3 (0001) Surfaces: A DFT Study . Langmuir 39:18, pages 6399-6405.
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Dandan Wu, Fang Xu, Xin Liu, Chenyin Li, Xiangfeng Chu, Guohong Fan & Hong Xu. (2022) Adsorption of CO, NO, and SO2 gases on pristine and single Ni3 cluster doped arsenene monolayer for its potential application as sensor or adsorbent by density functional theory study. Computational and Theoretical Chemistry 1217, pages 113871.
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