H2 S splitting on Cu(110): Insight from combined periodic density functional theory calculations and microkinetic simulation-Reference-Cited by-同舟云学术

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H2 S splitting on Cu(110): Insight from combined periodic density functional theory calculations and microkinetic simulation

Published:2013-03-05 Issue:16 Volume:113 Page:1992-2001
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Tang Qian-Lin¹

Affiliation:

1. Department of Applied Chemistry; School of Science; Xidian University; Xi'an 710071 People's Republic of China

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities of China

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.24428/fullpdf

Reference66 articles.

1. H2S/Cu(111): A model study of sulfur poisoning of water-gas shift catalysts

2. Deactivation of supported copper metal catalysts for hydrogenation reactions

3. Atomistic thermodynamics study of the adsorption and the effects of water–gas shift reactants on Cu catalysts under reaction conditions

4. Density functional theory study of sulfur tolerance of copper: New copper–sulfur phase diagram

5. Deactivation characteristics of Fe–Al–Cu water-gas shift catalysts in the presence of H2S

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