Abstract:
Graphene quantum dots (GQD) are tiny particles, which have novel properties. These
properties play a vital role in innovative devices like sensors, energy storage and solar
cell. Transition metal dichalcognised combining with graphene quantum dots have
unique photoluminescence properties. Photovoltaic, photodectors and spintronic are
examples of TMDCs with graphene quantum dot based devices. Density Functional
Theory (DFT) is an essential tool to understand and explore the electronic and optical
properties of TMDC/GQD. To study many-body electronic system Atomistic tool kit
(ATK) package will be used along with local density approximation (LDA) and
Generalized Gradient Approximation (GGA) as exchange and correlation function.
Simulated data would be used to determine the I-V characteristic, density of states and
structural arrangement. We will calculate the density of state, band structure,
transmission spectra, optical spectrum, Eigen state and projected density of state, to
understand the best results of TMDCs i.e. (MoS2, MoSe2, WS2, WSe2) with Graphene
quantum dot. This project will try to pin-point the ideal configuration of a modified
GDQs for its application in photodectors and spintronic.