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    題名: Electronic Structures of Clusters of Hydrogen Vacancies on Graphene
    作者: Wu, Bi-Ru;Yang, Chih-Kai
    楊志開
    貢獻者: 應物所
    日期: 2015-10
    上傳時間: 2015-11-25 16:36:54 (UTC+8)
    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.
    關聯: Scientific Reports, 5, 15310
    資料類型: article
    DOI 連結: http://dx.doi.org/10.1038/srep15310
    DOI: 10.1038/srep15310
    顯示於類別:[應用物理研究所 ] 期刊論文

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