The polar and piezoelectric nature of the wurtzite structure of ZnO nanowires with a high
aspect ratio at nanoscale dimensions is of high interest for piezotronic and piezoelectric …

The tremendous interest in nanoscale structures such as quantum dots (zero-dimension)
and wires (quasi-one-dimension) stems from their size-dependent properties. One …

Gas sensor devices have traditionally comprised thin films of metal oxides, with tin oxide,
zinc oxide and indium oxide being some of the most common materials employed. With the …

The electronic properties of semiconductor (SiC, GaN, BN, ZnO, ZnS, and CdS) nanowires
and nanotubes were investigated using first-principles calculations based on density …

An extended self-consistent charge density-functional tight-binding (SCC-DFTB)
parametrization for Zn− X (X= H, C, N, O, S, and Zn) interactions has been derived. The …

We present a comprehensive first-principles investigation of the atomic and electronic
structures of gallium nitride nanowires, and examine the dependence on nanowire diameter …

Herein, we present a thorough density functional study combining experiments on ZnO
nanostructures aimed at the identification, by means of infrared (IR) spectroscopies, of …

The structures and electronic properties of zinc oxide (ZnO) one-dimensional (1D)
nanostructures, including nanowires with hexagonal or triangular cross sections, faceted …

We employ first-principles calculations to investigate the structural stability and electronic
properties of zinc oxide (ZnO) nanowires adsorbed with different chemical functional groups …

The effects of doping ZnO nanowires with Al, Ga and Sb on their electronic structure and
thermoelectric properties are investigated by first-principles calculations. We find that the …