Orientation-dependent binding energy of graphene on palladium
Abstract
Using density functional theory calculations, we show that the binding strength of a graphene monolayer on Pd(111) can vary between physisorption and chemisorption depending on its orientation. By studying the interfacial charge transfer, we have identified a specific four-atom carbon cluster that is responsible for the local bonding of graphene to Pd(111). The areal density of such clusters varies with the in-plane orientation of graphene, causing the binding energy to change accordingly. Similar investigations can also apply to other metal substrates and suggests that physical, chemical, and mechanical properties of graphene may be controlled by changing its orientation.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Feb 04, 2013
- Source ID
- 10.1063/1.4790610
Entities
People
- Abbas Ebnonnasir
- Branden B. Kappes
- Cristian V Ciobanu
- Suneel Kodambaka
Organizations
- Colorado School of Mines
- National Science Foundation
- Office of Naval Research
- University of California