Abstract
Atomic (O, S, Se) and molecular (NO, O 2 ) chemisorptions on Ni and Cu are studied using the discrete variational Xα cluster method. The calculated cluster levels are in good agreement with experimental UPS peaks for corresponding chemisorption systems. The atomic and molecular chemisorptions are described in a similar way by the electron donation and the backdonation. The adsorbate level positions relative to the metal band are very important in chemisorption mechanism. For atomic chemisorptions, the net charge on adatom and the covalency between adatom and metal gradually increase on going from O to Se. For molecular chemisorptions, the σ-donation is predominant and the adsorbates become positive contrary to the case of CO chemisorption.
Sign-in/Register to access full text options 
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 callDisclaimer: 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.
