| dc.contributor | 應物所 | - |
| dc.creator (作者) | Wu, Bi-Ru;Yang, Chih-Kai | - |
| dc.creator (作者) | 楊志開 | - |
| dc.date (日期) | 2015-10 | - |
| dc.date.accessioned | 25-Nov-2015 16:36:54 (UTC+8) | - |
| dc.date.available | 25-Nov-2015 16:36:54 (UTC+8) | - |
| dc.date.issued (上傳時間) | 25-Nov-2015 16:36:54 (UTC+8) | - |
| dc.identifier.uri (URI) | http://nccur.lib.nccu.edu.tw/handle/140.119/79424 | - |
| dc.description.abstract (摘要) | Hydrogen vacancies in graphane are products of incomplete hydrogenation of graphene. The missing H atoms can alter the electronic structure of graphane and therefore tune the electronic, magnetic, and optical properties of the composite. We systematically studied a variety of well-separated clusters of hydrogen vacancies in graphane, including the geometrical shapes of triangles, parallelograms, hexagons, and rectangles, by first-principles density functional calculation. The results indicate that energy levels caused by the missing H are generated in the broad band gap of pure graphane. All triangular clusters of H vacancies are magnetic, the larger the triangle the higher the magnetic moment. The defect levels introduced by the missing H in triangular and parallelogram clusters are spin-polarized and can find application in optical transition. Parallelograms and open-ended rectangles are antiferromagnetic and can be used for nanoscale registration of digital information. | - |
| dc.format.extent | 2748787 bytes | - |
| dc.format.mimetype | application/pdf | - |
| dc.relation (關聯) | Scientific Reports, 5, 15310 | - |
| dc.title (題名) | Electronic Structures of Clusters of Hydrogen Vacancies on Graphene | - |
| dc.type (資料類型) | article | en |
| dc.identifier.doi (DOI) | 10.1038/srep15310 | - |
| dc.doi.uri (DOI) | http://dx.doi.org/10.1038/srep15310 | - |
