Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 17, Issue 5, Pages 3115-3122Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c4cp04859h
Keywords
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Funding
- Natural Science Foundation of China [11374183, 11404188, 11404141]
- Natural Science Foundation of Shandong Province [ZR2012AQ018]
- Doctoral Fund of Ministry of Education of China [20130131110007]
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Current rectification is found in oxygen-substituted zigzag graphyne nanoribbon/hydrogen-terminated zigzag graphene nanoribbon heterostructure junctions, from the application of nonequilibrium Green's function formalism combined with density functional theory. This behavior could be tuned by varying the number and location of oxygen atoms in the zigzag graphyne nanoribbon parts, and the rectification direction could be reversed due to the parity limitation tunneling effect. Moreover, an obvious negative differential resistance behavior is found and may be explained by two different mechanisms.
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