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
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