Adsorption property of Co, Rh, and Pd-embedded g-C3N4 monolayer to SO2F2 gas

A series of latent insulation failures, including insulation aging and the breakdown of insulating devices caused by the decomposition products of SF6, are quite a threat to the power system. In this study, the adsorption behavior of SO2F2 gas over TM (TM = Co, Rh, Pd) embedded g-C3N4 systems were s...

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Autores principales:	Yujie Liu, Yingang Gui, Lingna Xu, Xianping Chen
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	SO2F2 g-C3N4 Transition metal embedding Adsorption and gas-sensing DFT Mining engineering. Metallurgy TN1-997
Acceso en línea:	https://doaj.org/article/a66f4d291bfe4c87b2d8353b152afa8b
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spelling	oai:doaj.org-article:a66f4d291bfe4c87b2d8353b152afa8b2021-11-06T04:29:42ZAdsorption property of Co, Rh, and Pd-embedded g-C3N4 monolayer to SO2F2 gas2238-785410.1016/j.jmrt.2021.10.104https://doaj.org/article/a66f4d291bfe4c87b2d8353b152afa8b2021-11-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S2238785421012400https://doaj.org/toc/2238-7854A series of latent insulation failures, including insulation aging and the breakdown of insulating devices caused by the decomposition products of SF6, are quite a threat to the power system. In this study, the adsorption behavior of SO2F2 gas over TM (TM = Co, Rh, Pd) embedded g-C3N4 systems were studied in order to find a sensitive gas-sensing material for SO2F2 detection. The geometric structure, electronic properties, and molecular orbit were calculated based on DFT calculations. By comparing the gas adsorption properties before and after TM modification, the interaction mechanism and gas-sensing properties were theoretically analyzed. The results reveal that the TM embedded g-C3N4 monolayer can indeed improve the electrical conductivity of g-C3N4 and the stability of adsorption structure is in order of Co＞Pd＞Rh. In conclusion, TM-embedded g-C3N4 systems are expected to become a potential gas-sensing material as SO2F2 gas sensors.Yujie LiuYingang GuiLingna XuXianping ChenElsevierarticleSO2F2g-C3N4Transition metal embeddingAdsorption and gas-sensingDFTMining engineering. MetallurgyTN1-997ENJournal of Materials Research and Technology, Vol 15, Iss , Pp 4790-4799 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	SO2F2 g-C3N4 Transition metal embedding Adsorption and gas-sensing DFT Mining engineering. Metallurgy TN1-997
spellingShingle	SO2F2 g-C3N4 Transition metal embedding Adsorption and gas-sensing DFT Mining engineering. Metallurgy TN1-997 Yujie Liu Yingang Gui Lingna Xu Xianping Chen Adsorption property of Co, Rh, and Pd-embedded g-C3N4 monolayer to SO2F2 gas
description	A series of latent insulation failures, including insulation aging and the breakdown of insulating devices caused by the decomposition products of SF6, are quite a threat to the power system. In this study, the adsorption behavior of SO2F2 gas over TM (TM = Co, Rh, Pd) embedded g-C3N4 systems were studied in order to find a sensitive gas-sensing material for SO2F2 detection. The geometric structure, electronic properties, and molecular orbit were calculated based on DFT calculations. By comparing the gas adsorption properties before and after TM modification, the interaction mechanism and gas-sensing properties were theoretically analyzed. The results reveal that the TM embedded g-C3N4 monolayer can indeed improve the electrical conductivity of g-C3N4 and the stability of adsorption structure is in order of Co＞Pd＞Rh. In conclusion, TM-embedded g-C3N4 systems are expected to become a potential gas-sensing material as SO2F2 gas sensors.
format	article
author	Yujie Liu Yingang Gui Lingna Xu Xianping Chen
author_facet	Yujie Liu Yingang Gui Lingna Xu Xianping Chen
author_sort	Yujie Liu
title	Adsorption property of Co, Rh, and Pd-embedded g-C3N4 monolayer to SO2F2 gas
title_short	Adsorption property of Co, Rh, and Pd-embedded g-C3N4 monolayer to SO2F2 gas
title_full	Adsorption property of Co, Rh, and Pd-embedded g-C3N4 monolayer to SO2F2 gas
title_fullStr	Adsorption property of Co, Rh, and Pd-embedded g-C3N4 monolayer to SO2F2 gas
title_full_unstemmed	Adsorption property of Co, Rh, and Pd-embedded g-C3N4 monolayer to SO2F2 gas
title_sort	adsorption property of co, rh, and pd-embedded g-c3n4 monolayer to so2f2 gas
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/a66f4d291bfe4c87b2d8353b152afa8b
work_keys_str_mv	AT yujieliu adsorptionpropertyofcorhandpdembeddedgc3n4monolayertoso2f2gas AT yinganggui adsorptionpropertyofcorhandpdembeddedgc3n4monolayertoso2f2gas AT lingnaxu adsorptionpropertyofcorhandpdembeddedgc3n4monolayertoso2f2gas AT xianpingchen adsorptionpropertyofcorhandpdembeddedgc3n4monolayertoso2f2gas
_version_	1718443871521734656

Adsorption property of Co, Rh, and Pd-embedded g-C3N4 monolayer to SO2F2 gas

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