Abstract
Using embedded-atom-method potential for Pd and MORSE potential for the interaction between H and Pd atoms, the adsorption properties of H atoms on Pd (211), (311) and (511) stepped defective surfaces were calculated systematically. For Pd (311) surface, it is found that the four-fold hollow sites H 4 are the preferable sites for H atoms being adsorbed on these Pd defective surfaces. The sites H 4 are the most stable adsorbed sites and the three-fold hollow sites H f and H h are metastable ones. The calculated results are in reasonable agreement with the HREELS experiment results. For the (211) and (511) stepped defective surfaces of Pd, our calculation shows that the most stable adsorption sites are H 5 and H 2 respectively, both of them are four fold hollow sites.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callSimilar Papers
More From: Transactions of Nonferrous Metals Society of China
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
