Optoelectronic and electrochemical phenomena in materials at different dimensions:a computational study

Abstract

The interdisciplinary eld of materials science has always been an exciting and rather demanding branch of scienti c research ever since metallography came into practice in the late 1800s. A material can be any system with distinguished properties which nds use in societal or technical needs. The study of materials divulges many exquisite phenomena at all dimensions. The internal microstructure of systems is solely responsible for these phenomena and though materials at di erent dimensions are mutually exclusive, at the microscopic level, they are all governed by the laws of Quantum Mechanics. As the title of the thesis suggests, we are interested in studying the electronic, optical and electrochemical properties of materials at 0, 2 and 3 dimensions, computationally