Published 2013
| Version v1
Journal article
Role of Van der Waals forces in graphene adsorption over Pd, Pt, and Ni
- 1. Instituto de Física del Sur, CONICET, Bahia Blanca, Buenos Aires (Argentina)
Description
We report ab initio computations with the Vienna Ab initio Simulation Package (VASP) aimed at elucidating the adsorption mechanism of graphene-like structures on (111) Pd, Pt, and Ni surfaces. To study the adsorption properties, we simulate an already-formed graphene layer. We present a comparative discussion of the graphene interactions with the three metals, focusing on the very particular adsorption of graphene over Pd. (author)
Additional details
Publishing Information
- Journal Title
- Brazilian Journal of Physics
- Journal Volume
- 43
- Journal Issue
- 3
- Journal Page Range
- p. 126-129
- ISSN
- 0103-9733
- CODEN
- BJPHE6
INIS
- Country of Publication
- Brazil
- Country of Input or Organization
- Brazil
- INIS RN
- 46102296
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ADSORPTION; COMPARATIVE EVALUATIONS; GRAPHENE; INTERACTIONS; NICKEL; PALLADIUM; PLATINUM; VAN DER WAALS FORCES
- Descriptors DEC
- CARBON; ELEMENTS; EVALUATION; METALS; NONMETALS; PLATINUM METALS; SORPTION; TRANSITION ELEMENTS