S. W. Bailey

Silicene-based DNA nucleobase sensing

We propose a DNA sequencing scheme based on silicene nanopores. Using first principles theory, we compute the electrical properties of such pores in the absence and presence of nucleobases. Within a two-terminal geometry, we analyze the current-voltage relation in the presence of nucleobases with various orientations. We demonstrate that when nucleobases pass through a pore, even after sampling over many orientations, changes in the electrical properties of the ribbon can be used to discriminate between bases.

Conductance Oscillations in Zigzag Platinum Chains.

Using first principles simulations we perform a detailed study of the structural, electronic, and transport properties of monatomic platinum chains, sandwiched between platinum electrodes. First, we demonstrate that the most stable atomic configuration corresponds to a zigzag arrangement that gradually straightens as the chains are stretched. Second, we find that the averaged conductance shows slight parity oscillations with the number of atoms in the chain. Additionally, the conductance of chains of fixed oscillates as the end atoms are pulled apart, due to the gradual closing and opening of conductance channels as the chain straightens.

Bandgap modulation of narrow-gap carbon nanotubes in a transverse electric field

We propose a method to modulate the bandgaps in narrow-gap carbon nanotubes using a transverse electric field. Unlike previous investigations, we include curvature effects of the nanotubes by incorporating both π- and σ-orbitals in our tight-binding calculations. The calculations show that the narrow curvature-induced bandgaps decrease quadratically with electric field amplitude to zero. As the electric field amplitude continues to increase, the bandgap then expands in a similar manner to that presented in earlier studies on metallic nanotubes. The bandgap dependence is verified by analytical calculations, which also agree with preceding analyses for the limit of no curvature.

Single channel conductance of H2 molecules attached to platinum or palladium electrodes

We report a detailed theoretical study of the bonding and conduction properties of an hydrogen molecule joining either platinum or palladium electrodes. We show that an atomic arrangement where the molecule is placed perpendicular to the electrodes is unstable for all distances between electrodes. In contrast, the configuration where the molecule bridges the electrodes is stable in a wide range of distances. In this last case the bonding state of the molecule does not hybridize with the leads and remains localized within the junction. As a result, this state does not transmit charge so that electronic transport is carried only through the antibonding state. This fact leads to conductances of

Electron transport in carbon nanotube shuttles and telescopes

1{G}_{0}

Oscillating chiral currents in nanotubes: A route to nanoscale magnetic test tubes

at most, where

Zener quantum dot spin filter in a carbon nanotube

{G}_{0}=2{e}^{2}∕h

Sensing single molecules with carbon–boron-nitride nanotubes

. We indeed find that

Controlled electron transport in single molecules.

G

Towards molecular spintronics.

is equal to 0.9 and