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.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Guo YD,Yan XH,Xiao Y,Liu CSdoi
10.1038/srep16731subject
Has Abstractpub_date
2015-11-19 00:00:00pages
16731issn
2045-2322pii
srep16731journal_volume
5pub_type
杂志文章abstract：:Macroscopic rhythms are often signatures of healthy functioning in living organisms, but they are still poorly understood on their microscopic bases. Globally interacting oscillators with heterogeneous couplings are here considered. Thorough theoretical and numerical analyses indicate the presence of multiple phase tr...
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abstract：:Information concerning the pathogenic role of honey bee viruses in invasive species are still scarce. The aim of this investigation was to assess the presence of several honey bee viruses, such as Black Queen Cell Virus (BQCV), Kashmir Bee Virus (KBV), Slow Paralysis Virus (SPV), Sac Brood Virus (SBV), Israeli Acute P...
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pub_type： 杂志文章
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更新日期：2017-01-16 00:00:00
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更新日期：2018-10-02 00:00:00
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journal_title：Scientific reports
pub_type： 杂志文章,随机对照试验
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