Ontology highlight
ABSTRACT:
SUBMITTER: Jooya HZ
PROVIDER: S-EPMC10947152 | biostudies-literature | 2019
REPOSITORIES: biostudies-literature
Jooya H Z HZ Fan X X McKay K S KS Pappas D P DP Hite D A DA Sadeghpour H R HR
Molecular physics 20190101 15-16
We investigate the work function (WF) variation of different Au crystallographic surface orientations with carbon atom adsorption. <i>Ab initio</i> calculations within density-functional theory are performed on carbon deposited (100), (110), and (111) gold surfaces. The WF behaviour with carbon coverage for the different surface orientations is explained by the resultant electron charge density distributions. The dynamics of carbon adsorption at sub-to-one- monolayer (ML) coverage depends on the ...[more]