Adsorption and diffusion of F 2 molecules on pristine graphene
نویسندگان
چکیده
منابع مشابه
First-Principles Investigation of Adsorption and Diffusion of Ions on Pristine, Defective and B-doped Graphene
We performed first-principles calculations to reveal the possibility of applying pristine, defective, and B-doped graphene in feasible negative electrode materials of ion batteries. It is found that the barriers for ions are too high to diffuse through the original graphene, however the reduced barriers are obtained by introducing defects (single vacancy, double vacancy, Stone-Wales defect) in ...
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Jie Ma,1 Angelos Michaelides,2,* Dario Alfè,3 Laurids Schimka,4 Georg Kresse,4 and Enge Wang5,1 1Institute of Physics, Chinese Academy of Sciences, Box 603, Beijing 100190, China 2London Centre for Nanotechnology & Department of Chemistry, University College London, London WC1H 0AJ, UK 3Department of Earth Sciences & Department of Physics and Astronomy & London Centre for Nanotechnology, London...
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ژورنال
عنوان ژورنال: Chinese Physics B
سال: 2018
ISSN: 1674-1056
DOI: 10.1088/1674-1056/27/10/106801