Rectification inversion in oxygen substituted graphyne–graphene-based heterojunctions
文献情報
Wen-kai Zhao, Bin Cui, Chang-feng Fang, Guo-min Ji, Jing-fen Zhao, Xiang-ru Kong, Dong-qing Zou, Dong-mei Li
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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Physical Chemistry Chemical Physics

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