Density Functional Investigations of Defect-Induced Mid-Gap States in Graphane
نویسندگان
چکیده
منابع مشابه
Density functional investigations of defect induced mid-gap states in graphane
We have carried out ab initio electronic structure calculations on graphane (hydrogenated graphene) with single and double vacancy defects. Our analysis of the density of states reveal that such vacancies induce the mid gap states and modify the band gap. The induced states are due to the unpaired electrons on carbon atoms. Interestingly the placement and the number of such states is found to b...
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Hong Zhang,1 Yoshiyuki Miyamoto,2,* and Angel Rubio3 1College of Physical Science and Technology, Sichuan University, Chengdu 610065, China 2Graphene Division, Technology Research Association for Single Wall Carbon Nanotubes (TASC), Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Central 2, 1-1-1 Umezono, Tsukuba 305-8568, Japan 3Nano-Bio ...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2009
ISSN: 1932-7447,1932-7455
DOI: 10.1021/jp907640t