期刊
ACS APPLIED NANO MATERIALS
卷 4, 期 6, 页码 5816-5824出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsanm.1c00659
关键词
graphene nanoribbons; quantum electronic transport; electronic structure; heterojunctions; nanoelectronics
资金
- Office of Naval Research [N00014-19-1-2596]
- NSF [OCI1053575, OCI-0725070, ACI-1238993, OAC-1818253]
- state of Illinois
- National GeospatialIntelligence Agency
Graphene nanoribbons (GNRs) can be assembled to form 2D nanoarchitectures with unique electronic features. This study investigates 1D and 2D GNR-based heterojunctions, revealing emergent electronic states at the interface when combining different GNR shapes. Doping with nitrogen can change the electronic structure, and applying compressive strain lowers bandgap and enhances electronic conductance in the nanoarchitectures.
Graphene nanoribbons (GNRs) are highly tunable electronic materials that can be assembled to form two-dimensional (2D) nanoarchitectures with unique electronic features. In this paper, we investigate 1D and 2D GNR-based heterojunctions by combining chevron and 9-armchair GNRs together. We then investigate the electronic structure and transport of GNR heterojunctions using first-principles simulations. The coupling of chevron and 9-armchair GNRs leads to the formation of emergent electronic states at the interface due to the geometric mismatch. These states strongly control the electronic structure of the heterojunction. Doping the heterojunction with nitrogen on the edges of the chevron segment shows that these emergent states could disappear from the lowest unoccupied molecular orbital due to the band alignment of the connected GNRs. We also investigate the effect of applying uniaxial strain on the electronic characteristics of the 1D and 2D nanoarchitectures. The results show a lower bandgap and higher electronic conductance as the compressive strain is increased. The nitrogen-doped 2D structure exhibits a lower bandgap and higher electronic currents due to higher transmission pathways. Overall, these fundamental insights could help in the development of 2D GNR-based flexible and wearable devices.
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