Theoretical study on two dimensional materials for energy conversion applications

Abstract

The thesis evaluates the potential of two dimensional materials in energy conversion applications. The study delves into the piezoelectric properties of 2D monoelemental Tellurene for mechanical energy harvesting, explores the electrocatalytic properties in 2D heterostructures for generating green fuel hydrogen and examine the strain-coupled spin-valleytronic properties in Tellurene monolayer, revealing a double quantum spin Hall effect. The research provides a comprehensive atomic-level analysis of 2D materials for energy applications, elucidating underlying phenomena and influencing factors. The insights gained pave the way for experimental investigations, driving advancements in the energy conversion technologies. newline