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Cover Image, Volume 113, Issue 16
Publication year - 2013
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24507
Subject(s) - disproportionation , cover (algebra) , sulfur , chemistry , catalysis , computer science , organic chemistry , mechanical engineering , engineering
Detailed knowledge of how hydrogen sulfide (H 2 S) interacts with copper (Cu) surfaces helps to understand various reactions for the poisoning of Cu‐based catalysts by sulfur (S) compounds. The theoretical work by Qian‐Lin Tang on page 1992 clearly suggests that the dissociative adsorption of H 2 S on Cu(110) proceeds exclusively via stepwise hydrogen abstraction. In the reaction system, the bimolecular disproportionation channel of the SH intermediate plays the role of consuming the partial S product through the reverse process. Sulfur contamination of Cu is identified to be more serious on an open‐than on a close‐packed Cu surface.