TiO<sub>2</sub>掺杂石墨烯对SO<sub>2</sub>气体的气敏特性研究

doi:10.19595/j.cnki.1000-6753.tces.201668

Abstract
Figure/Table
References
Related Citation (3)

Download: PDF (5115 KB) HTML (1 KB)
Export: BibTeX | EndNote (RIS)

Abstract The SO₂ component produced during GIS discharge is closely related to the type and severity of discharge fault. The research on SO₂ gas sensor with excellent gas sensing response ability can provide a detection basis for online monitoring GIS discharge fault. In this paper, based on density functional theory (DFT) first-principles calculation, the doping structure of different amounts of TiO₂ doping on graphene surface is optimized to obtain the optimal doping structure. Secondly, SO₂ gas molecules are close to the intrinsic graphene in different approaching orientations, and the adsorption structure, adsorption energy, and charge transfer of SO₂ gas molecules on the surface of TiO₂ graphene were calculated. Finally, the interaction mechanism between SO₂ and TiO₂ graphene structure was obtained by analyzing the density of states (DOS) and partial density of states (PDOS). It is found that the two TiO₂ modification shows the optimal doping structure, which shows good adsorption performance for one or more SO₂ molecules, and it is chemisorption. Therefore, TiO₂-doped graphene gas sensor has a good application prospect in GIS discharge decomposition component detection and insulation diagnosis.

Key words： Graphene SO₂ density functional theory(DFT) SF₆ adsorption energy

Received: 18 December 2020

PACS:

TM855

	Service

	E-mail this article
	Add to my bookshelf
	Add to citation manager
	E-mail Alert
	RSS
	Articles by authors
	Gui Yingang
	Xu Wenlong
	Zhang Xiaoxing
	Xu Lingna

Cite this article:

Gui Yingang,Xu Wenlong,Zhang Xiaoxing等. Adsorption Property of SO₂ Gas on TiO₂-Doped Graphene[J]. Transactions of China Electrotechnical Society, 2021, 36(21): 4590-4597.

URL:

https://dgjsxb.ces-transaction.com/EN/10.19595/j.cnki.1000-6753.tces.201668 OR https://dgjsxb.ces-transaction.com/EN/Y2021/V36/I21/4590

[1] 唐念, 乔胜亚, 李丽, 等. HF 和 H₂S 作为气体绝缘组合电器绝缘缺陷诊断特征气体的有效性[J]. 电工技术学报, 2017, 32(19): 202-211.
Tang Nian, Qiao Shengya, Li Li, et al.Validity of HF and H₂S as target gases of insulation monitoring in gas insulated switchgear[J]. Transactions of China Electrotechnical Society, 2017, 32(19): 202-211.
[2] Zhang Xiaoxing, Gui Yingang, Xiao Hanyan, et al.Analysis of adsorption properties of typical partial discharge gases on Ni-SWCNTs using density functional theory[J]. Applied Surface Science, 2016, 379: 47-54.
[3] 赵明月, 林涛, 颜湘莲, 等. 基于氧同位素示踪法的电晕放电中 H₂O 和 O₂ 对 SF₆ 分解气体形成的影响[J]. 电工技术学报, 2018, 33(20): 4722-4728.
Zhao Mingyue, Lin Tao, Yan Xianglian, et al.Influence of trace H₂O and O₂ on SF₆ decomposition characteristics under corona discharge based on oxygen isotope tracer[J]. Transactions of China Electrotechnical Society, 2018, 33(20): 4722-4728.
[4] Li Xu, Tang Chao, Wang Jingna, et al.Analysis and mechanism of adsorption of naphthenic mineral oil, water, formic acid, carbon dioxide, and methane on meta-aramid insulation paper[J]. Journal of Materials Science, 2019, 54(11): 8556-8570.
[5] 张晓星, 董星辰, 陈秦川. 锐钛矿型 (101) 晶面吸附 SF₆局部放电分解组分的气敏机理分析[J]. 电工技术学报, 2017, 32(3): 200-209.
Zhang Xiaoxing, Dong Xingchen, Chen Qinchuan.Gas sensing mechaism analysis of SF₆ decomposed gases adsorption on anatase (101) surface under partial discharge[J]. Transactions of China Electrotechnical Society, 2017, 32(3): 200-209.
[6] 张晓星, 田双双, 肖淞, 等. SF₆替代气体研究现状综述[J]. 电工技术学报, 2018, 33(12): 2883-2893.
Zhang Xiaoxing, Tian Shuangshuang, Xiao Song, et al.A review study of SF₆ substitute gases[J]. Transactions of China Electrotechnical Society, 2018, 33(12): 2883-2893.
[7] Zhou Qu, Zeng Wen, Chen Weigen, et al.High sensitive and low-concentration sulfur dioxide (SO₂) gas sensor application of heterostructure NiO-ZnO nanodisks[J]. Sensors and Actuators B-Chemical, 2019, 298: 126870.
[8] Yang Aijun, Wang Dawei, Wang Xiaohua, et al.Recent advances in phosphorene as a sensing material[J]. Nano Today, 2018, 20: 13-32.
[9] Zhang Xiaoxing, Yu Lei, Wu Xiaoqing, et al.Experimental sensing and density functional theory study of H₂S and SOF₂ adsorption on Au-modified graphene[J]. Advanced Science, 2015, 2(11): 1500101.
[10] 庞思远, 刘希喆. 石墨烯在电气领域的研究与应用综述[J]. 电工技术学报, 2018, 33(8): 1705-1722.
Pang Siyuan, Liu Xizhe.Review on research and application of graphene in the electrical field[J]. Transactions of China Electrotechnical Society, 2018, 33(8): 1705-1722.
[11] Shao Yuyan, Wang Jun, Wu Hong, et al.Graphene based electrochemical sensors and biosensors: a review[J]. Electroanalysis, 2010, 22(10): 1027-1036.
[12] Li Bingyu, Shi Xinhao, Gu Wei, et al.Graphene based electrochemical biosensor for label-free measurement of the activity and inhibition of protein tyrosine kinase[J]. Analyst, 2013, 138(23): 7212-7217.
[13] Gui Yingang, Peng Xiao, Liu Kai, et al.Adsorption of C₂H₂, CH₄ and CO on Mn-doped graphene: Atomic, electronic, and gas-sensing properties[J]. Physica E-Low-Dimensional Systems & Nanostructures, 2020, 119: 113959.
[14] Zhang Yonghui, Chen Yabin, Zhou Kaile, et al.Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study[J]. Nanotechnology, 2009, 20(18): 185504.
[15] Gui Yingang, Hao Zeshen, Li Xin, et al.Gas sensing of graphene and graphene oxide nanoplatelets to ClO(2)and its decomposed species[J]. Superlattices and Microstructures, 2019, 135: 106248.
[16] He Xin, Gui Yingang, Liu Kai, et al.Comparison of sensing and electronic properties of C₂H₂ on different transition metal oxide nanoparticles (Fe₂O₃, NiO, TiO₂) modified BNNT (10,0)[J]. Applied Surface Science, 2020, 521: 146463.
[17] Nghia Manh N, Yen Hai N, Hong Ngoc P, et al.Investigation of origin optical properties of TiO₂/graphene nanohybrids[J]. Materials Letters, 2020, 276: 128042.
[18] Tian Xiaoyu, Wang Qingyao, Zhao Qianqian, et al.Silar deposition of CuO nanosheets on the TiO₂ nanotube arrays for the high performance solar cells and photocatalysts[J]. Separation and Purification Technology, 2019, 209: 368-374.
[19] Tang Yongbing, Lee Chun S, Xu Jun, et al.Incorporation of graphenes in nanostructured TiO₂ films via molecular grafting for dye-sensitized solar cell application[J]. Acs Nano, 2010, 4(6): 3482-3488.
[20] Perdew J P, Burke K, Ernzerhof M, et al.Generalized gradient approximation made simple[J]. Physical Review Letters, 1997, 78(7): 1396-1396.
[21] Chen Wenlong, Gui Yingang, Li Tao, et al.Gas-sensing properties and mechanism of Pd-GaNNTs for air decomposition products in ring main unit[J]. Applied Surface Science, 2020, 531: 147293.
[22] Wei Huanglin, Gui Yingang, Kang Jian, et al.A DFT study on the adsorption of H₂S and SO₂ on Ni doped MoS₂ monolayer[J]. Nanomaterials, 2018, 8(9): 8090646.
[23] He Xin, Gui Yingang, Xie Jufang, 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.
[24] Zheng Wei, Tang Chao, Xie Jufang, et al.Micro-scale effects of nano-SiO₂ modification with silane coupling agents on the cellulose/nano-SiO₂ interface[J]. Nanotechnology, 2019, 30(44): 1361-6528.
[25] Zhang Jitao, Zhu Weiwei, Chen Dongyu, et al.Effects of remanent magnetization on dynamic magnetomech-anical and magnetic-sensing characteristics in bi-layer multiferroics[J]. European Physical Journal-Applied Physics, 2019, 85(2): 180168.
[26] Zhang Jitao, Chen Dongyu, Filippov D A, et al.Theory of tunable magnetoelectric inductors in ferrite-piezoelectriclayered composite[J]. Journal of Physics D-Applied Physics, 2019, 52(16): 1361-6463.
[27] Grimme S.Semiempirical GGA-type density functional constructed with a long-range dispersion correction[J]. Journal of Computational Chemistry, 2006, 27(15): 1787-1799.
[28] Cui Hao, Chen Dachang, Zhang Ying, et al.Dissolved gas analysis in transformer oil using Pd catalyst decorated MoSe₂ monolayer: a first-principles theory[J]. Sustainable Materials and Technologies, 2019, 20: e00094.
[29] Cui Hao, Zhang Guozhi, Zhang Xiaoxing, et al.Rh-doped MoSe₂ as a toxic gas scavenger: a first-principles study[J]. Nanoscale Advances, 2019, 1(2): 772-780.
[30] Gui Yingang, Li Wenjun, He Xin, et al.Adsorption properties of pristine and Co-doped TiO₂(101) toward dissolved gas analysis in transformer oil[J]. Applied Surface Science, 2020, 507: 145163.
[31] Guerra C F, Handgraaf J W, Baerends E J, et al.Voronoi deformation density (VDD) charges: assessment of the mulliken, bader, hirshfeld, weinhold, and VDD methods for charge analysis[J]. Journal of Computational Chemistry, 2004, 25(2): 189-210.
[32] Farhangi N, Ayissi S, Charpentier P A, et al.Fe doped TiO₂-graphene nanostructures: synthesis, DFT modeling and photocatalysis[J]. Nanotechnology, 2014, 25(30): 305601.