Site selectivity in chemisorption of C on Pd(211)
نویسندگان
چکیده
Sergey Stolbov,1 Faisal Mehmood,1 Talat S. Rahman,1,2 Matti Alatalo,3 Ilja Makkonen,4 and Petri Salo4 1Department of Physics, Cardwell Hall, Kansas State University, Manhattan, Kansas 66506, USA 2Abteilung Physikaliche Chemie, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14295 Berlin, Germany 3Department of Electrical Engineering, Lappeenranta University of Technology, FIN-53851 Lappeenranta, Finland 4Laboratory of Physics, Helsinki University of Technology, FIN-02015 HUT, Finland (Received 26 December 2003; revised manuscript received 8 July 2004; published 26 October 2004)
منابع مشابه
Adsorption and diffusion of hydrogen on Pd(211) and Pd(111): Results from first-principles electronic structure calculations
We have carried out first-principles calculations of H adsorption on Pd 211 using density-functional theory with the generalized gradient approximation in the plane-wave basis to find out that the most preferred is the threefold hollow site on the terrace of Pd 211 with an adsorption energy of 0.52 eV: the hcp and fcc sites being almost energetically equally favorable. For subsurface H adsorpti...
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