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Advances in Condensed Matter Physics
Volume 2015 (2015), Article ID 847804, 9 pages
http://dx.doi.org/10.1155/2015/847804
Research Article

Influence of Electric Field in the Adsorption of Atomic Hydrogen on Graphene

Facultad de Ingeniería (FIUADY), Universidad Autónoma de Yucatán, Avenida Industrias no Contaminantes y Periférico Norte, Apartado Postal 150 Cordemex, 97310 Mérida, YUC, Mexico

Received 16 August 2015; Accepted 30 September 2015

Academic Editor: Ram N. P. Choudhary

Copyright © 2015 C. Cab et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

The influence of external electric field (EF) in the adsorption of atomic hydrogen on graphene (H/G) was studied by means of electronic structure calculations based on spin-polarized density functional theory with generalized gradient approximation (GGA). The changes in atomic hydrogen physisorption-chemisorption on graphene owed to EF (which ranged between −1.25 V/Å and 0.75 V/Å) were determined. Analysis of the electronic charge density for an H/G system explained the EF influences on the adsorption properties (analyzing changes in electronic charge density for H/G system). A decrease of more than 100% in the chemisorption barrier for an EF of −1.25 V/Å was found. The changes in the electronic charge density confirm the possibility of manipulating the physical-chemical adsorption of hydrogen on graphene by applying electric fields.