The first-principles study of oscillating rectifying performance in nanoribbon-chain-carbon nanotube junctions
|Journal / Publication||Applied Physics Letters|
|Publication status||Published - 20 May 2013|
|Link to Scopus||https://www.scopus.com/record/display.uri?eid=2-s2.0-84878371328&origin=recordpage|
Electronic transport properties of armchair graphene nanoribbon and capped carbon nanotube junctions, covalently bridged by carbon atomic chains with different numbers of carbon atoms, are investigated. The first-principles calculations based on non-equilibrium Green's functions with the density-functional theory show that their I-V characteristics display odd-even effects and rectifying behaviors show obvious oscillations, namely, different bond patterns for even- and odd-numbered carbon chains affect the contact bonds, charge transfer, density of states, evolutions of molecular orbitals, and rectifying performance. © 2013 AIP Publishing LLC.
Applied Physics Letters, Vol. 102, No. 20, 203106, 20.05.2013.
Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal
Qiu, M & Liew, KM 2013, 'The first-principles study of oscillating rectifying performance in nanoribbon-chain-carbon nanotube junctions', Applied Physics Letters, vol. 102, no. 20, 203106. https://doi.org/10.1063/1.4807284