title: Stable two-dimensional conductance switch of polyaniline molecule connecting to graphene nanoribbons.
abstract: Incorporating the characteristics of the single-layer graphene nanoribbon and the polyaniline molecule, we theoretically design a two-dimensional molecular device and investigate its transport properties by applying nonequilibrium Green's functions in combination with density-functional theory. The calculated results reveal that the arrangements of frontier molecular orbitals and the energy gap between the HOMO and the LUMO of an isolated polyaniline molecule are different between its two isolable states: full reduced leucoemeraldine base and full oxidized pernigraniline base. When a polyaniline molecule connects to two graphene nanoribbons as a two-dimensional molecular device, the conductance of its full oxidized pernigraniline base is much higher than the conductance of its full reduced leucoemeraldine base. The switch ratios of two bases' currents almost maintain a constant value before 0.8 V. In other word, the conductance switch behavior in our device is stable in a big bias region which makes it have a broader application in future logic and memory devices.
authors.affiliation: School of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410004, People's Republic of China.
authors.forename: Zhi-Qiang
authors.initials: ZQ
authors.lastname: Fan
authors.affiliation: Department of Applied Physics, Hunan University, Changsha 410082, People's Republic of China.
authors.forename: Ke-Qiu
authors.initials: KQ
authors.lastname: Chen
references.citation: Nat Nanotechnol. 2010 Aug;5(8):574-8
references.pmid: 20562870
references.citation: Nano Lett. 2008 Mar;8(3):902-7
references.pmid: 18284217
references.citation: Nature. 2005 Nov 10;438(7065):201-4
references.pmid: 16281031
references.citation: Sci Rep. 2013;3:2575
references.pmid: 23999318
references.citation: J Am Chem Soc. 2005 Dec 7;127(48):16770-1
references.pmid: 16316207
references.citation: J Chem Phys. 2011 Nov 14;135(18):184703
references.pmid: 22088074
references.citation: J Am Chem Soc. 2010 Aug 25;132(33):11481-6
references.pmid: 20677763
references.citation: Nat Mater. 2007 Mar;6(3):183-91
references.pmid: 17330084
references.citation: Nano Lett. 2007 Jun;7(6):1469-73
references.pmid: 17461605
references.citation: J Chem Phys. 2007 Aug 28;127(8):084107
references.pmid: 17764229
references.citation: ACS Nano. 2012 Jan 24;6(1):159-67
references.pmid: 22148918
references.citation: Science. 2004 Oct 22;306(5696):666-9
references.pmid: 15499015
references.citation: Science. 2007 Mar 9;315(5817):1379
references.pmid: 17303717
references.citation: J Phys Chem Lett. 2013 Mar 7;4(5):809-14
references.pmid: 26281937
references.citation: Phys Rev Lett. 2008 May 23;100(20):206802
references.pmid: 18518565
references.citation: Nature. 2005 Nov 10;438(7065):197-200
references.pmid: 16281030
references.citation: Phys Rev Lett. 2007 May 18;98(20):206805
references.pmid: 17677729
references.citation: Angew Chem Int Ed Engl. 2001 Jul 16;40(14):2581-2590
references.pmid: 29712315
references.citation: Science. 2008 Jul 18;321(5887):385-8
references.pmid: 18635798