Journal
MATERIALS
Volume 10, Issue 11, Pages -Publisher
MDPI
DOI: 10.3390/ma10111300
Keywords
junctions; graphene-carbon nanotubes; mechanical strength; electric performance; first-principles theory
Categories
Funding
- National Natural Science Foundation of China [51303033, 61434001]
- Natural Science Foundation of Guangxi Province [2016GXNSFBA380109]
- Guangxi Key Laboratory of Manufacturing System and Advanced Manufacturing Technology [16-380-12-001Z]
- Guangxi Natural Science Foundation [2014GXNSFCB118004]
- China Post-Doctoral Science Foundation [2014M550065]
- Guangxi Universities Scientific Foundation [YB2014116]
- Guilin Science and Technology Development Foundation [20140103-3]
- Innovation Planning Projects of GuangXi Graduate Student Education [C66YJA240001]
- Innovation Project of GUET Graduate Education [2016YJCXB04]
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The new three-dimensional structure that the graphene connected with SWCNTs (G-CNTs, Graphene Single-Walled Carbon Nanotubes) can solve graphene and CNTs problems. A comprehensive study of the mechanical and electrical performance of the junctions was performed by first-principles theory. There were eight types of junctions that were constituted by armchair and zigzag graphene and (3,3), (4,0), (4,4), and (6,0) CNTs. First, the junction strength was investigated. Generally, the binding energy of armchair G-CNTs was stronger than that of zigzag G-CNTs, and it was the biggest in the armchair G-CNTs (6,0). Likewise, the electrical performance of armchair G-CNTs was better than that of zigzag G-CNTs. Charge density distribution of G-CNTs (6,0) was the most homogeneous. Next, the impact factors of the electronic properties of armchair G-CNTs were investigated. We suggest that the band gap is increased with the length of CNTs, and its value should be dependent on the combined effect of both the graphene's width and the CNTs' length. Last, the relationship between voltage and current (U/I) were studied. The U/I curve of armchair G-CNTs (6,0) possessed a good linearity and symmetry. These discoveries will contribute to the design and production of G-CNT-based devices.
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