O.E. Glukhova - Dr. Sc. (Phys.-Math.), Associate Professor, Head of Department «Radioengineering and Electrodynamics», Saratov State University named after N.G. Chernyshevsky. E-mail: glukhovaOE@info.sgu.ru A.S. Kolesnikova - Ph. D. (Phys.-Math.), Assistant, Department «Radioengineering and Electrodynamics», Saratov State University named after N.G. Chernyshevsky. E-mail: kolesnikova.88@mail.ru I.N. Saliy - Dr. Sc. (Phys.-Math.), Professor, Department «Radioengineering and Electrodynamics», Saratov State University named after N.G. Chernyshevsky. E-mail: sin@sgu.ru M.M. Slepchenkov - Ph. D. (Phys.-Math.), асс., Department «Radioengineering and Electrodynamics», Saratov State University named after N.G. Chernyshevsky. E-mail: slepchenkovm@mail.ru

The article is devoted to the study of the laws of the selective hydrogenation of curved graphene using computer modeling methods - the empirical method based on the use of Brenner potential and quantum tight-binding method. The object of study is the curved graphene sheet with a length of 38 Å along the armchair direction and a length of 40 Å along the zigzag direction. Authors solve two research problems. The first problem is to predict the most likely landing sites of hydrogen atoms by analyzing the distribution of local stresses on the structure of atoms. The second is to establish regularities of change in electron and energy characteristics of curved graphene during chemisorption of hydrogen atoms. On the base of the local stresses distribution of the curved graphene atoms calculations the mechanism of forecasting the most likely landing sites of hydrogen atoms was proposed. The proposed mechanism may be used to form conductive areas in modern electronic circuits.

 

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