Journal of Synthetic Crystals, Volume. 52, Issue 2, 298(2023)

First-Principles Study of Adsorption of SO2F2 and H2S on the Ru Doped MoS2

ZHANG Ruien1,2、*, CHEN Lincong1,2, LI Xinran1,2, ZHAO Hailong1,2, FU Xiaotao1,2, FAN Xiaozhou3, and LEI Tianxiang3
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
  • 3[in Chinese]
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    References(9)

    [9] [9] CUI H, ZHU H L, JIA P F. Adsorption and sensing of SO2 and SOF2 molecule by Pt-doped HfSe2 monolayer: a first-principles study[J]. Applied Surface Science, 2020, 530: 147242.

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    [13] [13] YUSFI M, JONUARTI R, WUNGU T, et al. The adsorption of C2H2, C2H4, and C2H6 on single Fe atom doped SWCNT: a density functional theory study[J]. International Journal of Nanoelectronics and Materials, 2020, 13(1): 113-120.

    [14] [14] FAN Y H, ZHANG J Y, QIU Y Z, et al. A DFT study of transition metal (Fe, Co, Ni, Cu, Ag, Au, Rh, Pd, Pt and Ir)-embedded monolayer MoS2 for gas adsorption[J]. Computational Materials Science, 2017, 138: 255-266.

    [15] [15] CAO W H, GUI Y G, CHEN T, et al. Adsorption and gas-sensing properties of Pt2-GaNNTs for SF6 decomposition products[J]. Applied Surface Science, 2020, 524: 146570.

    [16] [16] HE X, GUI Y G, XIE J F, et al. A DFT study of dissolved gas (C2H2, H2, CH4) detection in oil on CuO-modified BNNT[J]. Applied Surface Science, 2020, 500: 144030.

    [19] [19] REDDY C V, NEELAKANTA REDDY I, RAVINDRANADH K, et al. Ni-dopant concentration effect of ZrO2 photocatalyst on photoelectrochemical water splitting and efficient removal of toxic organic pollutants[J]. Separation and Purification Technology, 2020, 252: 117352.

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    [30] [30] LI D J, RAO X J, ZHANG L, et al. First-principle insight into the Ru-doped PtSe2 monolayer for detection of H2 and C2H2 in transformer oil[J]. ACS Omega, 2020, 5(49): 31872-31879.

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    ZHANG Ruien, CHEN Lincong, LI Xinran, ZHAO Hailong, FU Xiaotao, FAN Xiaozhou, LEI Tianxiang. First-Principles Study of Adsorption of SO2F2 and H2S on the Ru Doped MoS2[J]. Journal of Synthetic Crystals, 2023, 52(2): 298

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    Paper Information

    Category:

    Received: Sep. 26, 2022

    Accepted: --

    Published Online: Mar. 18, 2023

    The Author Email: Ruien ZHANG (419776487@qq.com)

    DOI:

    CSTR:32186.14.

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