I have joined Prof. Pandey’s research group at Michigan Technological University since Fall 2015 to pursue my Ph.D. degree in Physics.
My Ph.D. research is focused on an investigation of the novel properties of materials using first-principles density functional theory (DFT) method and molecular dynamics (MD) simulations. It can be divided into two parts. In my first project, I have systematically studied the electronic properties of vertically stacked heterostructures composed by graphene and SnO. In this study, we found a finite bandgap is opened for graphene and the outmost SnO monolayers could protect the bandgap from high external electric field (up to ≈ 0.3×10^9 V/m). This result could provide clues for the practical application of graphene in nano-level electronic devices design. The second project is related to the Li-S battery system which has been considered as a promising energy storage system due to its high theoretical energy density and relatively low cost in terms of main reactants (e.g. sulfur). My research is related to the characterization of Li polysulfides solid phases to predict their mechanical stability and electronic nature (i.e. metal vs semiconductor) which will help understand the reaction path and advance the design of a functionalized cathode in the Li-S battery system for energy applications. This project is still ongoing, and I would like to thank the Graduate School for financing my last stage of research.