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Potential energy surfaces for Rh–CO, Rh–OC, Ir–CO, and Ir–OC interactions

✍ Scribed by Dai, Dingguo; Balasubramanian, K.


Book ID
118029518
Publisher
American Institute of Physics
Year
1994
Tongue
English
Weight
939 KB
Volume
101
Category
Article
ISSN
0021-9606

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## Abstract Density functional theory (DFT) calculations have been performed to determine the interaction energy between a CO probe molecule and all atoms from the first three rows of the periodic table coadsorbed on Rh(100), Pd(100) and Ir(100) metal surfaces. Varying the coverage of CO or the coa