The adsorption and bonding of H2S on the α-FeOOH(110) surface

被引：7
|
作者：
Simonetti, S.
Damiani, D.
Juan, A.
Brizuela, G.
机构：
[1] UTN FRBB, Dept Mecan, RA-8000 Bahia Blanca, Argentina
[2] Consejo Nacl Invest Cient & Tecn, PLAPIQUI UNS, Dept Quim, Buenos Aires, DF, Argentina
[3] Univ Nacl Sur, Dept Fis, RA-8000 Bahia Blanca, Argentina
来源：
SURFACE REVIEW AND LETTERS | 2007年 / 14卷 / 02期
关键词：
odorization; natural gas; goethite; dehydrogen sulfide; sulfur; adsorption;
D O I：
10.1142/S0218625X0700927X
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The electronic structure of H2S adsorbed on the goethite (110) surface has been studied by ASED- MO cluster calculations. We have studied both the perpendicular and the parallel H2S molecular adsorption on the FeOOH(110) surface. We have analyzed the adsorption con. guration energies including rotation. The parallel species does not rotate during adsorption and corresponds to the most stable con. guration. We have also studied the bonding contributions for the minimum energy con. guration and the density of states plots.
引用
收藏
页码：209 / 217
页数：9
相关论文
共 50 条
  • [1] THE ADSORPTION OF H2S ON INP(110) AND GAP(110)
    DUDZIK, E
    WHITTLE, R
    MULLER, C
    MCGOVERN, IT
    NOWAK, C
    MARKL, A
    HEMPELMANN, A
    ZAHN, DRT
    CAFOLLA, A
    BRAUN, W
    SURFACE SCIENCE, 1994, 307 (pt A) : 223 - 227
  • [2] H2S adsorption and dissociation on Rh(110) surface: a first-principles study
    Tariq Usman
    Ming-qiu Tan
    Adsorption, 2018, 24 : 563 - 574
  • [3] H2S adsorption and dissociation on Rh(110) surface: a first-principles study
    Usman, Tariq
    Tan, Ming-qiu
    ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, 2018, 24 (06): : 563 - 574
  • [4] THE REACTION OF H2S WITH SURFACE OXYGEN ON NI(110)
    HUNTLEY, DR
    SURFACE SCIENCE, 1990, 240 (1-3) : 24 - 36
  • [5] A STUDY OF H2S ADSORPTION-KINETICS ON THE CLEAN AND OXYGEN COVERED (110) SURFACE OF COPPER
    UY, PS
    BARDOLLE, J
    BUJOR, M
    SURFACE SCIENCE, 1983, 134 (03) : 713 - 721
  • [6] H2S adsorption on the (110) surfaces of III-V semiconductors
    Dudzik, E
    Muller, C
    McGovern, IT
    Lloyd, DR
    Patchett, A
    Zahn, DRT
    Johal, T
    McGrath, R
    SURFACE SCIENCE, 1995, 344 (1-2) : 1 - 10
  • [7] First principles study of H2S adsorption and dissociation on Fe(110)
    Jiang, DE
    Carter, EA
    SURFACE SCIENCE, 2005, 583 (01) : 60 - 68
  • [8] Adsorption and decomposition of H2S on the Ge(100) surface
    Nelen, Louis M.
    Fuller, Kathryn
    Greenlief, C. Michael
    Applied Surface Science, 1999, 150 (01): : 65 - 72
  • [9] Density Functional Theory Study of H2S Adsorption and Decomposition on Cubic ZrO2 (110) Surface
    Yang Ya-Li
    Chen Wen-Kai
    Lu Chun-Hai
    Guo Xin
    CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2009, 25 (08) : 1457 - 1463
  • [10] Adsorption and decomposition of H2S on the Ge(100) surface
    Nelen, LM
    Fuller, K
    Greenlief, CM
    APPLIED SURFACE SCIENCE, 1999, 150 (1-4) : 65 - 72
12345