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

被引：5
|
作者：
Cab, C. [1 ]
Medina-Esquivel, R. [1 ]
Acosta, C. [1 ]
Mendez-Gamboa, J. [1 ]
Penunuri, F. [1 ]
Tapia, A. [1 ]
机构：
[1] Univ Autonoma Yucatan, Fac Ingn FIUADY, Merida 97310, Yuc, Mexico
来源：
ADVANCES IN CONDENSED MATTER PHYSICS | 2015年 / 2015卷
关键词：
DISSOCIATIVE ADSORPTION; GRAPHITE; STORAGE; RECOMBINATION; DIFFUSION; BEHAVIOR; SURFACE; PLANE; H-2;
D O I：
10.1155/2015/847804
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
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/angstrom and 0.75V/angstrom) 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/angstrom 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.
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页数：9
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