Influence of Electric Field in the Adsorption of Atomic Hydrogen on Graphene
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...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2015-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2015/847804 |
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| author | C. Cab R. Medina-Esquivel C. Acosta J. Mendez-Gamboa F. Peñuñuri A. Tapia |
| author_facet | C. Cab R. Medina-Esquivel C. Acosta J. Mendez-Gamboa F. Peñuñuri A. Tapia |
| author_sort | C. Cab |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-e407a7b461df404f8e9c0438cf1f4b56 |
| institution | OA Journals |
| issn | 1687-8108 1687-8124 |
| language | English |
| publishDate | 2015-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Condensed Matter Physics |
| spelling | doaj-art-e407a7b461df404f8e9c0438cf1f4b562025-08-20T02:21:34ZengWileyAdvances in Condensed Matter Physics1687-81081687-81242015-01-01201510.1155/2015/847804847804Influence of Electric Field in the Adsorption of Atomic Hydrogen on GrapheneC. Cab0R. Medina-Esquivel1C. Acosta2J. Mendez-Gamboa3F. Peñuñuri4A. Tapia5Facultad de Ingeniería (FIUADY), Universidad Autónoma de Yucatán, Avenida Industrias no Contaminantes y Periférico Norte, Apartado Postal 150 Cordemex, 97310 Mérida, YUC, MexicoFacultad de Ingeniería (FIUADY), Universidad Autónoma de Yucatán, Avenida Industrias no Contaminantes y Periférico Norte, Apartado Postal 150 Cordemex, 97310 Mérida, YUC, MexicoFacultad de Ingeniería (FIUADY), Universidad Autónoma de Yucatán, Avenida Industrias no Contaminantes y Periférico Norte, Apartado Postal 150 Cordemex, 97310 Mérida, YUC, MexicoFacultad de Ingeniería (FIUADY), Universidad Autónoma de Yucatán, Avenida Industrias no Contaminantes y Periférico Norte, Apartado Postal 150 Cordemex, 97310 Mérida, YUC, MexicoFacultad de Ingeniería (FIUADY), Universidad Autónoma de Yucatán, Avenida Industrias no Contaminantes y Periférico Norte, Apartado Postal 150 Cordemex, 97310 Mérida, YUC, MexicoFacultad de Ingeniería (FIUADY), Universidad Autónoma de Yucatán, Avenida Industrias no Contaminantes y Periférico Norte, Apartado Postal 150 Cordemex, 97310 Mérida, YUC, MexicoThe 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.http://dx.doi.org/10.1155/2015/847804 |
| spellingShingle | C. Cab R. Medina-Esquivel C. Acosta J. Mendez-Gamboa F. Peñuñuri A. Tapia Influence of Electric Field in the Adsorption of Atomic Hydrogen on Graphene Advances in Condensed Matter Physics |
| title | Influence of Electric Field in the Adsorption of Atomic Hydrogen on Graphene |
| title_full | Influence of Electric Field in the Adsorption of Atomic Hydrogen on Graphene |
| title_fullStr | Influence of Electric Field in the Adsorption of Atomic Hydrogen on Graphene |
| title_full_unstemmed | Influence of Electric Field in the Adsorption of Atomic Hydrogen on Graphene |
| title_short | Influence of Electric Field in the Adsorption of Atomic Hydrogen on Graphene |
| title_sort | influence of electric field in the adsorption of atomic hydrogen on graphene |
| url | http://dx.doi.org/10.1155/2015/847804 |
| work_keys_str_mv | AT ccab influenceofelectricfieldintheadsorptionofatomichydrogenongraphene AT rmedinaesquivel influenceofelectricfieldintheadsorptionofatomichydrogenongraphene AT cacosta influenceofelectricfieldintheadsorptionofatomichydrogenongraphene AT jmendezgamboa influenceofelectricfieldintheadsorptionofatomichydrogenongraphene AT fpenunuri influenceofelectricfieldintheadsorptionofatomichydrogenongraphene AT atapia influenceofelectricfieldintheadsorptionofatomichydrogenongraphene |