The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Phase diagrams for surface alloys
Open accessAbstract
We discuss surface alloy phases and their stability based on surface phase diagrams constructed from the surface energy as a function of the surface composition. We show that in the simplest cases of pseudomorphic overlayers there are four generic classes of systems, characterized by the sign of the heat of segregation from the bulk and the sign of the excess interactions between the atoms in the surface (the surface mixing energy). We also consider the more complicated cases with ordered surface phases, nonpseudomorphic overlayers, second layer segregation, and multilayers. The discussion is based on density-functional calculations using the coherent-potential approximation and on effective-medium theory. We give self-consistent density-functional results for the segregation energy and surface mixing energy for all combinations of the transition and noble metals. Finally we discuss in detail the cases Ag/Cu(100), Pt/Cu(111), Ag/Pt(111), Co/Cu(111), Fe/Cu(111), and Pd/Cu(110) in connection with available experimental results.
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Cites
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
Cited by
Theoretical surface science and catalysis—calculations and concepts
Hammer, B., & Nørskov, J. K. (2000) · Advances in Catalysis · doi:10.1016/s0360-0564(02)45013-4 · Cited by 3,972
Self-citationReview of Pt-Based Bimetallic Catalysis: From Model Surfaces to Supported Catalysts
Yu, W., Porosoff, M. D., & Chen, J. G. (2012) · Chemical Reviews · doi:10.1021/cr300096b · Cited by 1,253
Hannagan, R. T., Giannakakis, G., Flytzani-Stephanopoulos, M., & Sykes, E. C. H. (2020) · Chemical Reviews · doi:10.1021/acs.chemrev.0c00078 · Cited by 1,017
Cantwell, P. R., Tang, M., Dillon, S. J., Luo, J., Rohrer, G. S., & Harmer, M. P. (2014) · Acta Materialia · doi:10.1016/j.actamat.2013.07.037 · Cited by 916
Clark, E. L., Hahn, C., Jaramillo, T. F., & Bell, A. T. (2017) · Journal of the American Chemical Society · doi:10.1021/jacs.7b08607 · Cited by 674
Metadata
- Authors
- Christensen, A., Ruban, A. V., Stoltze, P., Jacobsen, K. W., Skriver, H. L., Nørskov, J. K., & Besenbacher, F.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1997-09-01
- Volume
- 56
- Issue
- 10
- Pages
- 5822-5834
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2050547143
- Cited by
- 432
- References
- 1
- FWCI
- 12.53
- Type
- journal article
- Language
- en
- Open access
- bronze
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