Edge effects on the characteristics of uranium diffusion on graphene and graphene nanoribbons
Cheng, C; Han, H; Ren, CL; Wang, CY; Shao, K; Huai, P; Huai, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
2016
发表期刊CHINESE PHYSICS B
ISSN1674-1056
卷号25期号:8页码:-
文章类型期刊论文
摘要The first principles density-functional theoretical calculations of U adatom adsorption and diffusion on a planar graphene and quasi-one-dimensional graphene nanoribbons (GNRs) are performed. An energetic preference is found for U adatom diffusing to the hollow sites of both graphene and GNRs surface. A number of U distinctive diffusion paths either perpendicular or parallel to the ribbon growth direction are examined. The edge effects are evidenced by the calculated energy barriers of U adatom diffusion on armchair and zigzag nanoribbons surfaces. The calculation results indicate that the diffusion of U adatom from the inner site toward the edge site is a feasible process, particularly in zigzag GNR. It is viable to control the initial morphology of nuclear carbon material to retard the diffusion and concentration of nuclides.
关键词Diffusion Armchair Gnr Zigzaggnr Edge Effects
DOI10.1088/1674-1056/25/8/086301
收录类别SCI
语种英语
WOS记录号WOS:000384264300047
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/26482
专题中科院上海应用物理研究所2011-2018年
通讯作者Cheng, C; Huai, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
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GB/T 7714
Cheng, C,Han, H,Ren, CL,et al. Edge effects on the characteristics of uranium diffusion on graphene and graphene nanoribbons[J]. CHINESE PHYSICS B,2016,25(8):-.
APA Cheng, C.,Han, H.,Ren, CL.,Wang, CY.,Shao, K.,...&Huai, P .(2016).Edge effects on the characteristics of uranium diffusion on graphene and graphene nanoribbons.CHINESE PHYSICS B,25(8),-.
MLA Cheng, C,et al."Edge effects on the characteristics of uranium diffusion on graphene and graphene nanoribbons".CHINESE PHYSICS B 25.8(2016):-.
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