Program

P.61 -- Poster, NCTP-42

Date: Wednesday, 2 August 2017

Time: 08h30 - 10h00

The electronic transport properties of the zigzag graphene nanoribbons

Vo Trung Phuc (1), Nguyen Van Ut (1), Bui Thai Hoc (1) and Nguyen Thanh Tien (1)

College of Natural Science, Can Tho University

Density-functional theory (DFT) in combination with the nonequilibrium Green’s function formalism is used to study the effect of substitutional doping on the electronic transport properties of zigzag graphene nanoribbons (ZGNRs). We study the various edge structures passivated by H atoms and by P atoms. In this work, Si atoms are used to substitute C atoms located at the edge or the centre of the samples. We consider 8-ZGNRs, 12-ZGNRs and 16-ZGNRs respectively. Our calculated results have determined that the electronic transport properties of the single Si-doping structures are better than the double doping ones. Moreover, there is significantly difference in the transmission spectrum of P-passivated ZGNRs and H-passivated ZGNRs i.e. P passivation does not posscess an enhanced transmission at the Fermi level, which are typical for graphene nanoribons. The relationship between the transmission spectrum, the device density of states and the I-V curve indicates that P-passivated ZGNRs can stably exist in experiment and be applied well in nanodevices. We also carry out research ZGNRs with the distortion. The studied results shown that the strong transmission at the Fermi level in the perfect ribbon is also present in the distorted ribbon. Apart from this, the transmission spectra for the distorted GNRs are strongly suppressed due to scattering by the distortion.

Presenter: Nguyen Thanh Tien