Abstract
The adsorption of nitrous oxide, N 2O, on Pd(1 1 0) has been studied with density-functional theory using cluster and slab models of the surface. The slab model predicts that the N 2O is bonded weakly to the surface forming two different adsorbed moieties, with N 2O either adsorbed in a tilted form with the terminal N atom attached to the surface, or lying horizontally on the surface in the [0 0 1] direction. Small cluster models predict larger binding energies and correspondingly shorter N 2O-to-substrate distances.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
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.