DFT study on the interaction of H2O and O2 with α-Fe2O3 (001) surface

被引:0
|
作者
Chen, Cuiting [1 ]
Zhao, Cuihua [1 ,2 ]
Zhou, Xi [1 ]
Chen, Jianhua [1 ,2 ]
Chen, Liangyu [3 ]
Li, Fangtiancheng [1 ]
机构
[1] School of Resources, Environment and Materials, Guangxi University, Nanning,530004, China
[2] Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials, Guangxi University, Nanning,530004, China
[3] School of Science, Jiangsu University of Science and Technology, Zhenjiang,212003, China
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [31] Surface termination, composition and reconstruction of Fe3O4(001) and γ-Fe2O3(001)
    Chambers, SA
    Joyce, SA
    SURFACE SCIENCE, 1999, 420 (2-3) : 111 - 122
  • [32] The crystal structure of MoO2(O2)(H2O)•H2O
    Reid, Joel W.
    Kaduk, James A.
    Matei, Lidia
    POWDER DIFFRACTION, 2019, 34 (01) : 44 - 49
  • [33] Influence of H2O on the adsorption of SO2 on CaO (001) surface: A DFT study
    Yan, Guang-Jing
    Wang, Chun-Bo
    Zhang, Yue
    Chen, Liang
    Ranliao Huaxue Xuebao/Journal of Fuel Chemistry and Technology, 2019, 47 (10): : 1163 - 1172
  • [34] Passivation of iron by oxidation in H2O and O2/H2O mixtures
    Roosendaal, SJ
    Bakker, JPR
    Vredenberg, AM
    Habraken, FHPM
    SURFACE SCIENCE, 2001, 494 (03) : 197 - 205
  • [35] The interaction of Zr2Fe surface with O2 and H2O at the temperature range 300-770 K
    Zalkind, Shimon
    Nahmani, Moshe
    Shamir, Noah
    JOURNAL OF ALLOYS AND COMPOUNDS, 2010, 501 (02) : 221 - 226
  • [36] OXIDATION OF FE-CR ALLOYS IN O2/3 PERCENT H2O
    WEBBER, J
    CORROSION SCIENCE, 1976, 16 (08) : 499 - &
  • [37] Computational study on the hydrogen transfer of H2O and O2 on Fe(II) porphyrazine
    Xu, Yali
    Li, Yongxiu
    Li, Zhe
    Deng, Kejian
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2014, 1044 : 10 - 14
  • [38] Insights into the oxidation mechanism of millerite exposed to O2 and H2O using DFT study
    Xiong, Xiaolu
    Li, Guangshi
    Zhu, Kai
    Chen, Sha
    Li, Shenggang
    Tao, Wen
    Xu, Qian
    Cheng, Hongwei
    Zou, Xingli
    Lu, Xionggang
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2021, 1205
  • [39] DFT Studies on Interaction of H2S Gas with α-Fe2O3 Nanostructures
    Nagarajan, V.
    Chandiramouli, R.
    JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS, 2016, 26 (02) : 394 - 404
  • [40] DFT Studies on Interaction of H2S Gas with α-Fe2O3 Nanostructures
    V. Nagarajan
    R. Chandiramouli
    Journal of Inorganic and Organometallic Polymers and Materials, 2016, 26 : 394 - 404