Carbon & boron substituted-Dibenzo[1,4]azaborinine as a quantum dot-based organic molecular single-electron device for high switching speed applications

Abstract

The present work investigates the carbon & boron substituted-Dibenzo[1,4]azaborinine molecule as an island or quantum dot(QD) of an organic molecular single electron device(SED). The ‘carbon & boron substituted-Dibenzo[1,4]azaborinine(C13H9BN) as a QD’ is a modified variant of the acene group organic molecule ‘anthracene(C14H10)’, where boron atom are substitution of dangling hydrogens of middle honeycomb and nitrogen substitution of its parent molecule anthracene. Similar to anthracene, the carbon & boron substituted-Dibenzo[1,4]azaborinine is also made up of three linearly fused benzene rings, and has a planar structure with aromatic character. The carbon & boron substituted-Dibenzo[1,4]azaborinine molecule is considered as a QD owing to its impressive stability and conductance that originate from the aromaticity, making it ideal for low power electronic and high switching speed device applications. The calculations have been carried out using the tools AtomisticToolkit-Virtual Nanolab(ATK-VNL) and Gaussian09 packages, which is based on density functional theory (DFT), non-equilibrium green’s function (NEGF) formalisms and ab-initio approach. The charging energies in both isolated and SED conditions, total energy, and the charge stability diagram (CSD) as a function of bias potentials have been used to evaluate the device's efficiency. In comparison to anthracene based SED and its other acene organic molecular derivative SEDs, the proposed ‘carbon & boron substituted-Dibenzo[1,4]azaborinine as a quantum dot based organic molecular SED’ has high switching speed and power efficiency.