Mono- and Bi-Molecular Adsorption of SF6 Decomposition Products on Pt Doped Graphene: A First-Principles Investigation

被引：5
|
作者：
Wu, Yongqian [1 ]
Song, Shaojian [1 ]
Chen, Dachang [2 ]
Zhang, Xiaoxing [2 ,3 ]
机构：
[1] Guangxi Univ, Sch Elect Engn, Nanning 530004, Peoples R China
[2] Wuhan Univ, Sch Elect Engn, Wuhan 400044, Hubei, Peoples R China
[3] Chongqing Univ, State Key Lab Power Transmiss Equipment & Syst Se, Chongqing 400044, Peoples R China
来源：
APPLIED SCIENCES-BASEL | 2018年 / 8卷 / 10期
基金：
中国国家自然科学基金;
关键词：
SF6 decomposition components; Pt modified graphene; gas adsorption; density functional theory; PARTIAL DISCHARGE RECOGNITION; SURFACE; OXIDE;
D O I：
10.3390/app8102010
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Based on the first-principles of density functional theory, the SF6 decomposition products including single molecule (SO2F2, SOF2, SO2), double homogenous molecules (2SO(2)F(2), 2SOF(2), 2SO(2)) and double hetero molecules (SO2 and SOF2, SO2 and SO2F2, SOF2 and SO2F2) adsorbed on Pt doped graphene were discussed. The adsorption parameters, electron transfer, electronic properties and energy gap was investigated. The adsorption of SO2, SOF2 and SO2F2 on the surface of Pt-doped graphene was a strong chemisorption process. The intensity of chemical interactions between the molecule and the Pt-graphene for the above three molecules was SO2F2 > SOF2 > SO2. The change of energy gap was also studied and according to the value of energy gap, the conductivity of Pt-graphene before and after adsorbing different gas molecules can be evaluated.
引用
收藏
页数：13
相关论文
共 50 条
  • [41] Adsorption and sensing behaviors of SF6 decomposed species on pristine and Ru/Ti-modified stanene monolayer: A first-principles study
    Ma, Kexin
    Wang, Yanwen
    Zheng, Yunxin
    Xiao, Jianrong
    Xu, Liang
    Dai, Xueqiong
    Wang, Zhiyong
    PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2022, 142
  • [42] Investigating the Gas-sensitive Response of Graphene doped by Different TiO2 Concentrations towards SF6 Decomposition Products
    Liu, Hong
    Chen, Weigen
    Zhang, Zhixian
    Tian, Haoyuan
    Sang, Tian-Yi
    Wu, Kejie
    Tang, Zijie
    APPLIED SURFACE SCIENCE, 2023, 633
  • [43] Monodisperse Pt atoms anchored on N-doped graphene as efficient catalysts for CO oxidation: a first-principles investigation
    Liu, Xin
    Sui, Yanhui
    Duan, Ting
    Meng, Changgong
    Han, Yu
    CATALYSIS SCIENCE & TECHNOLOGY, 2015, 5 (03) : 1658 - 1667
  • [44] First-principles investigation of vacancy-defected graphene and Mn-doped graphene towards adsorption of H2S
    Jia, Xiaotong
    Zhang, Hong
    Zhang, Zhiming
    An, Libao
    SUPERLATTICES AND MICROSTRUCTURES, 2019, 134
  • [45] First-Principles Investigation of NO Molecule Adsorption on As6/Sb6 and Sb6/Bi6 Lateral Heterostructures
    Yang, Dan
    Fang, Dan
    Wang, Dengkui
    Li, Jinhua
    Zhai, Yingjiao
    Chu, Xueying
    Wang, Dandan
    Wang, Xiaohua
    Yan, Hao
    Fang, Xuan
    PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 2023, 17 (10):
  • [46] First-principles analysis of Ti3C2Tx MXene as a promising candidate for SF6 decomposition characteristic components sensor
    Zeng, Fuping
    Feng, Xiaoxuan
    Chen, Xiaoyue
    Yao, Qiang
    Miao, Yulong
    Dai, Liangjun
    Li, Yi
    Tang, Ju
    APPLIED SURFACE SCIENCE, 2022, 578
  • [47] A First-Principles Study of the SF6 Decomposed Products Adsorbed Over Defective WS2 Monolayer as Promising Gas Sensing Device
    Chen, Dachang
    Zhang, Xiaoxing
    Xiong, Hao
    Li, Yi
    Tang, Ju
    Xiao, Song
    Zhang, Dongzhi
    IEEE TRANSACTIONS ON DEVICE AND MATERIALS RELIABILITY, 2019, 19 (03) : 473 - 483
  • [48] First Principles Calculation of Gas Sensitive Properties of Pd3-Modified Monolayer PtSe2 to SF6 Decomposition Products
    Li, Mengting
    Cen, Weifu
    Tian, Zean
    Zheng, Quan
    PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 2024, 18 (05):
  • [49] A first principle simulation of competitive adsorption of SF6 decomposition components on nitrogen-doped anatase TiO2 (101) surface
    Dong, Xingchen
    Zhang, Xiaoxing
    Cui, Hao
    Zhang, Jun
    APPLIED SURFACE SCIENCE, 2017, 422 : 331 - 338
  • [50] First-Principle Study of Rh-Doped Nitrogen Vacancy Boron Nitride Monolayer for Scavenging and Detecting SF6 Decomposition Products
    Shi, Zhen
    Xia, Sheng-Yuan
    POLYMERS, 2021, 13 (20)
12345