Abstract：
:Grain boundaries (GBs) in graphene prepared by chemical vapor deposition (CVD) greatly degrade the electrical and mechanical properties of graphene and thus hinder the applications of graphene in electronic devices. The seamless stitching of graphene flakes can avoid GBs, wherein the identical orientation of graphene domain is required. In this letter, the graphene orientation on one of the most used catalyst surface - Cu(100) surface, is explored by density functional theory (DFT) calculations. Our calculation demonstrates that a zigzag edged hexagonal graphene domain on a Cu(100) surface has two equivalent energetically preferred orientations, which are 30 degree away from each other. Therefore, the fusion of graphene domains on Cu(100) surface during CVD growth will inevitably lead to densely distributed GBs in the synthesized graphene. Aiming to solve this problem, a simple route, that applies external strain to break the symmetry of the Cu(100) surface, was proposed and proved efficient.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Yuan Q,Song G,Sun D,Ding Fdoi
10.1038/srep06541subject
Has Abstractpub_date
2014-10-07 00:00:00pages
6541issn
2045-2322pii
srep06541journal_volume
4pub_type
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pub_type： 杂志文章,meta分析
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