The formation of a Schottky barrier at the metal-semiconductor interface is widely utilised in semiconductor devices. With the emerging of novel Schottky barrier based nanoelectronics, a further microscopic understanding of this interface is in high demand. Here we provide an atomistic insight into potential barrier formation and band bending by ab initio simulations and model analysis of a pro...

We obtained an analytical expression for the average motion velocity of adiabatic Brownian motor (ratchet), which operates due to small dichotomous spatially harmonic fluctuations a stepwise potential. The symmetry properties as functional stationary and fluctuating components nanoparticle potential energy are revealed, ranges values system parameters that ensure rightward leftward determined. ...

The mechanism for the formation of hexamethylenetetraamine predicts the formation of aminomethanol from the addition of ammonia to formaldehyde. This molecule subsequently undergoes unimolecular decomposition to form methanimine and water. Aminomethanol is the predicted precursor to interstellar glycine, and is therefore of great interest for laboratory spectroscopic study, which would serve as...

The relevance of the fragment relaxation energy term and the effect of the basis set superposition error on the geometry of the BF3 ̄NH3 and C2H4 ̄SO2 van der Waals dimers have been analyzed. Second-order Mo”ller–Plesset perturbation theory calculations with the d95(d ,p) basis set have been used to calculate the counterpoise-corrected barrier height for the internal rotations. These barriers hav...

The role of contact between semiconducting nanowire and metal electrodes in a single nanowire field effect transistor (NW-FET) is investigated for the sensing of different type of gases. Two different types of In(2)O(3) nanowire devices, namely; Schottky contact device (SCD) and Ohmic contact device (OCD) are evaluated. SCD has shown a superior response to the reducing gas (CO) compared to oxid...