期刊
PHYSICAL REVIEW B
卷 83, 期 24, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.83.245417
关键词
-
资金
- European Union
- Free State of Saxony within the European Centre for Emerging Materials and Processes Dresden (ECEMP) [13857/2379]
We report a systematic research on structural, electronic, and transport properties of a variety of graphene nanoribbon (GNR) break junctions, with different widths and edge chiralities. Our extensive molecular dynamics simulations provide insight into a variety of possible geometries of the break junctions that are obtained by stretching of the graphene ribbons beyond their breaking points. One or more carbon chains can emerge as structural bridges in the junctions. All investigated ruptured systems obey conduction gaps even when their geometries significantly differ by the number of the bridging chains and the variety of their contacts with GNR electrodes.
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