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题名: Edge effects on the characteristics of uranium diffusion on graphene and graphene nanoribbons
作者: Cheng, C; Han, H; Ren, CL; Wang, CY; Shao, K; Huai, P
刊名: CHINESE PHYSICS B
出版日期: 2016
卷号: 25, 期号:8, 页码:-
关键词: diffusion ; armchair GNR ; zigzagGNR ; edge effects
DOI: 10.1088/1674-1056/25/8/086301
通讯作者: Cheng, C ; Huai, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
文章类型: 期刊论文
英文摘要: 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.
收录类别: SCI
语种: 英语
WOS记录号: WOS:000384264300047
ISSN号: 1674-1056
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.sinap.ac.cn/handle/331007/26482
Appears in Collections:中科院上海应用物理研究所2011-2017年_期刊论文

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