Theoretical Investigation of Dependence of Single Vacancy Migration in Graphene on Its Deformation

被引:0
|
作者
Ananyeva, Julia E. [1 ]
Eliseeva, Natalia S. [1 ]
Krasnov, Pavel O. [2 ]
Kuzubov, Alexander A. [1 ,2 ]
Fedorov, Alexander S. [3 ]
机构
[1] Siberian Fed Univ, 79 Svobodny, Krasnoyarsk 660041, Russia
[2] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
[3] SB RAS, Inst Phys, Krasnoyarsk 660036, Russia
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关键词
quantum chemistry; graphene; defects; deformation;
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中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Theoretical investigation of influence of external pressure on defects migration in the graphene layers has been performed. It has been shown that compression of structure along parallel direction and extension along perpendicular direction to the vacancy migration decrease activation energy of vacancy migration. It leads to increasing of jump frequency. On the basis of derived results it is possible to create method allowing us to localize defects in the graphene structure without annealing up to the high temperatures.
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页码:305 / 310
页数:6
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