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Enhanced rectifying performance by asymmetrical gate voltage for BDC20 molecular devices
Shandong University, Peoples R China .
Shandong University, Peoples R China .
Shandong University, Peoples R China .
Linköping University, Department of Physics, Chemistry and Biology, Computational Physics. Linköping University, The Institute of Technology.
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2014 (English)In: RSC Advances, ISSN 2046-2069, Vol. 4, no 32, 16537-16544 p.Article in journal (Refereed) Published
Abstract [en]

By applying the asymmetrical gate voltage on the 1,4-bis (fullero[c]pyrrolidin-1-yl) benzene BDC20 molecule, we investigate theoretically its electronic transport properties using the density functional theory and nonequilibrium Greens function formalism for a unimolecule device with metal electrodes. Interestingly, the rectifying characteristic with very high rectification ratio, 91.7 and 24.0, can be obtained when the gate voltage is asymmetrically applied on the BDC20 molecular device. The rectification direction can be tuned by the different gate voltage applying regions. The rectification behavior is understood in terms of the evolution of the transmission spectrum and projected density of states spectrum with applied bias combined with molecular projected self-consistent Hamiltonian states analyses. Our finding implies that to realize and greatly promote rectifying performance of the BDC20 molecule the variable gate voltage applying position might be a key

Place, publisher, year, edition, pages
Royal Society of Chemistry , 2014. Vol. 4, no 32, 16537-16544 p.
National Category
Medical and Health Sciences
URN: urn:nbn:se:liu:diva-106991DOI: 10.1039/c3ra47408aISI: 000335016400022OAI: diva2:721055
Available from: 2014-06-03 Created: 2014-06-02 Last updated: 2014-06-03

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