Moisture Assisted Electron Transport in Si-C Nanotubes: an ab-initio study

S. Choudhary, S. Qureshi
IIT Kanpur, IN

Keywords: SiCNT, DFT, NEGF, ab initio


We investigate the effect of moisture-chemisorption on the electron transport properties in a (8, 0) semiconducting silicon-carbide nanotube (SiCNT) by applying self consistent non-equilibrium Green’s function formalism in combination with the density-functional theory. The results clearly show the contribution of moisture (H2O) in electron transport in (8, 0) SiCNTs. I–V characteristics of moisture-chemisorbed SiCNT inicate that both the currents under positive and negative bias voltages have an exponential growth and decay. Rectification observed is negligible as the current is seen to increase exponentially after a forward and reverse cut-in (threshold) voltage of ~0.5 volts. Also, the negative differential resistance (NDR) region seems to be suppressed in the bias range -2 to +2 Volts, which is due to the introduction of new electronic states around the Fermi level that enhances the conductivity. HOMO-LUMO shift at low and high bias voltages.