Matches in SemOpenAlex for { <https://semopenalex.org/work/W2415698614> ?p ?o ?g. }
- W2415698614 abstract "The helicene is constructed by twisted benzene or other aromatic rings, exhibiting a helical structure. Using first-principles calculations, we investigate the electronic transport of helicenes under stretching or compressing. Interestingly, a U-shaped curve of the current against d (the pitch of a helicene) is observed. Further analysis shows that, it is the result of the nonmonotonic change of HOMO-LUMO gap with d. The change of overlap between orbitals induced by conformational deformation is found to be the underlying mechanism. Moreover, the U-curve phenomenon is an intrinsic feature of the helicene molecules, being robust to the electrode materials or doping. This U-curve behavior is expected to be extended to helical graphene or other related structures, showing great application potential." @default.
- W2415698614 created "2016-06-24" @default.
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- W2415698614 date "2015-11-19" @default.
- W2415698614 modified "2023-10-07" @default.
- W2415698614 title "U-shaped relationship between current and pitch in helicene molecules" @default.
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- W2415698614 doi "https://doi.org/10.1038/srep16731" @default.
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