Abstract
The hydrogen adsorption isotherm is reported on the missing row Pt(110)-(1×2) within the conventional ultrahigh vacuum (UHV) surface modeling. They are evaluated by the combination of the density functional theory (DFT) and the Monte Carlo (MC) simulations. The binding energy for the hydrogen adsorption is found to depend strongly on the hydrogen coverage (ΘH). The short bridge sites on the ridge (R) are found to be the strongest binding sites at the low coverage region. At a higher ΘH, up to 1 ML, the on-top sites of the micro-facet (F) get populated. The relative abundance of the HR and HF are investigated. The influence of the exposed ridge atoms on the adsorption properties are found to be negligible at 1/3 ML, and the presence of the trough atoms have the most influence at the intermediate coverage region.
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.
