In this study, spectroscopic properties of the single-walled boron-nitride nanotube (SWBNNT) –a semiconductor channel in molecular diodes and molecular transistors–have been investigated under field-free and various applied electric fields by first principle methods.Our analysis shows that increasing the electric field in boron-nitride nanotube (BNNT) decreases the Highest Occupied Crystal Orbi...

this paper presents density functional theory and non-equilibrium green’s function based first principles calculations to explore the sensing property of adenine and thymine based hetero-junction chins for ammonia and phosphine gas molecules. this modeling and simulation technique plays an important and crucial role in the fast growing semiconductor based nanotechnology field. the hetero-juncti...

This paper presents a new method called vespiary regular hexagonal (VRH) model in order to calculate parasitic capacitance between conductor wire filaments of one turn of coil (OTC) and between conductor wire filaments and liner and also total capacitance of one turn of the helix magneto flux cumulative generator (MCG) coil include single-layer conductor wire filaments in form of rectangular cr...

We report a first-principles study of electrical transport in a single molecular conductor consisting of a buthane-dithiol sandwiched between two Au (100) electrodes. We show that the current was increased by increasing of the external voltage biases. The projected density of states (PDOS) and transmission coefficients (T(E)) under various external voltage biases are analyzed, and it suggests t...

This paper presents Density Functional Theory and Non-Equilibrium Green’s Function based First Principles calculations to explore the sensing property of Adenine and Thymine based hetero-junction chins for Ammonia and Phosphine gas molecules. This modeling and simulation technique plays an important and crucial role in the fast growing semiconductor based nanotechnology field. The hetero-juncti...

More than a decade after the first report of single-molecule conductance, it remains a challenging goal to prove the exact nature of the transport through single molecules, including the number of transport channels and the origin of these channels from a molecular orbital point of view. We demonstrate for the archetypical organic molecule, benzenedithiol (BDT), incorporated into a mechanically...

this paper presents a new method called vespiary regular hexagonal (vrh) model to calculate parasitic capacitance between conductor wire filaments of one turn of a coil and between conductor wires filament and liner and also total capacitance of n-turns having single-layers, multi-conductor wire filaments of the helix magneto cumulative generator (mcg) coil. the presented method is an analytica...

294/5545/1317. [3] C. Joachim and M. A. Ratner, Nanotechnology 15, 1065 (2004), URL http://stacks.iop.org/0957-4484/