The structure and magnetism of graphone
Graphone is a half-hydrogenated graphene. The structure of graphone is illustrated as trigonal adsorption of hydrogen atoms on graphene at first. However, we found the trigonal adsorption is unstable. We present an illustration in detail to explain how a trigonal adsorption geometry evolves into a r...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2012-12-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4766937 |
| _version_ | 1819060993627521024 |
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| author | L. Feng W. X. Zhang |
| author_facet | L. Feng W. X. Zhang |
| author_sort | L. Feng |
| collection | DOAJ |
| description | Graphone is a half-hydrogenated graphene. The structure of graphone is illustrated as trigonal adsorption of hydrogen atoms on graphene at first. However, we found the trigonal adsorption is unstable. We present an illustration in detail to explain how a trigonal adsorption geometry evolves into a rectangular adsorption geometry. We check the change of magnetism during the evolution of geometry by evaluating the spin polarization of the intermediate geometries. We prove and clarify that the rectangular adsorption of hydrogen atoms on graphene is the most stable geometry of graphone and graphone is actually antiferromagnetic. |
| first_indexed | 2024-12-21T14:35:49Z |
| format | Article |
| id | doaj.art-eb917238805b444b8d7a66e14f61ef11 |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-12-21T14:35:49Z |
| publishDate | 2012-12-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-eb917238805b444b8d7a66e14f61ef112022-12-21T19:00:21ZengAIP Publishing LLCAIP Advances2158-32262012-12-0124042138042138-610.1063/1.4766937038204ADVThe structure and magnetism of graphoneL. Feng0W. X. Zhang1Computational Condensed Matter Physics Laboratory, Department of Physics, Taiyuan University of Technology, Taiyuan 030024, People's Republic of ChinaComputational Condensed Matter Physics Laboratory, Department of Physics, Taiyuan University of Technology, Taiyuan 030024, People's Republic of ChinaGraphone is a half-hydrogenated graphene. The structure of graphone is illustrated as trigonal adsorption of hydrogen atoms on graphene at first. However, we found the trigonal adsorption is unstable. We present an illustration in detail to explain how a trigonal adsorption geometry evolves into a rectangular adsorption geometry. We check the change of magnetism during the evolution of geometry by evaluating the spin polarization of the intermediate geometries. We prove and clarify that the rectangular adsorption of hydrogen atoms on graphene is the most stable geometry of graphone and graphone is actually antiferromagnetic.http://dx.doi.org/10.1063/1.4766937 |
| spellingShingle | L. Feng W. X. Zhang The structure and magnetism of graphone AIP Advances |
| title | The structure and magnetism of graphone |
| title_full | The structure and magnetism of graphone |
| title_fullStr | The structure and magnetism of graphone |
| title_full_unstemmed | The structure and magnetism of graphone |
| title_short | The structure and magnetism of graphone |
| title_sort | structure and magnetism of graphone |
| url | http://dx.doi.org/10.1063/1.4766937 |
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