Strain Effect on the CO & H2 Adsorption Upon Graphene

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Bagheri, Beytolhoda | 2011

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Type of Document: M.Sc. Thesis
Language: Farsi
Document No: 41866 (04)
University: Sharif University of Technology
Department: Physics
Advisor(s): Irajizad, Azam
Abstract:
In this thesis, adsorption of Carbon monoxide and Hydrogen on graphene, by DFT calculation has been studied. Also effect of strain on some electrical properties, such as band structure, electrical conductivity and Density of states, for pristine graphene and adsorption CO and H2 on it has been probed. This results show that with strain up to 12% on pristine graphene , we won’t have any band gap on Fermi surface and energy adsorption for Carbon monoxide on strained graphene (up 12%) increase up 400 per cent. Also for strained graphene (12%) on Carbon monoxide adsorption condition we will have energy band gap almost a few electron volt on Fermi surface. In general this results express strain more than 8% cause increasing graphene sensitivity which may use in single-molecule detection and hydrogen storage and so on
Keywords:
Graphine ; Strain ; Absorption ; Hydrogen ; Carbon Monoxide

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