CAS OpenIR  > 中科院上海应用物理研究所2011-2018年
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
Source PublicationCHINESE PHYSICS B
ISSN1674-1056
Volume25Issue:8Pages:-
Subtype期刊论文
AbstractThe 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.
KeywordDiffusion Armchair Gnr Zigzaggnr Edge Effects
DOI10.1088/1674-1056/25/8/086301
Indexed BySCI
Language英语
WOS IDWOS:000384264300047
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/26482
Collection中科院上海应用物理研究所2011-2018年
Corresponding AuthorCheng, C; Huai, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
Recommended Citation
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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