Sulfur adsorption on coinage metal(100) surfaces: propensity for metal–sulfur complex formation relative to (111) surfaces
Author:
Affiliation:
1. Ames Laboratory – USDOE
2. Iowa State University
3. Ames
4. USA
5. Department of Chemistry
6. Department of Physics and Astronomy
Abstract
DFT analysis explains the propensity for stable metal–S complexes on (111) but not (100) surfaces of Ag and Cu, and the opposite trend for Au. Predictions are consistent with low-temperature STM experiments.
Funder
Basic Energy Sciences
National Science Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03449H
Reference31 articles.
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4. Future Challenges in Heterogeneous Catalysis: Understanding Catalysts under Dynamic Reaction Conditions
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3. Reaction processes at step edges on S-decorated Cu(111) and Ag(111) surfaces: MD analysis utilizing machine learning derived potentials;The Journal of Chemical Physics;2022-05-28
4. Sulfur-enhanced dynamics of coinage metal(111) surfaces: Step edges versus terraces as locations for metal-sulfur complex formation;Journal of Vacuum Science & Technology A;2022-03
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