Recently, I am working on the project entitled “Efficient Hydrogen Generation Through Improved Catalytic Pathway Prediction on Layered Materials". Basically, I am looking for Hydorgen Evolution Reaction (HER) and Oxygen Evolution Reaction (OER) in TMDCs and Double Perovskites materials.

I have also worked in the area of the Time-Dependent Density Functional Theory of excited state dynamics in Transition-Metal Dichalcogenides (TMDCs) nanostructures and Plasmonic materials. Mainly, we focus on the photo-induced and plasmons-induced charge transfer between TMDCs nanoflakes and molecules for solar cell and optoelectronic device application.

During my Ph.D. research work, I worked on the computational study of Two-dimensional materials. Two-dimensional (2D) material, Graphene, opens the door for other two-dimensional (2D) materials, like Boron-Nitride, Phosphorene, Molybdenum Disulfide (MoS2), and Borophene. These materials exhibit a variety of interesting properties from high band-gap insulators to semiconductors to semi-metals. Further, new 2D magnetic material CrI3 monolayer inspires us for doing research in area of magnetism in Transition Metal Trihalide (MX3) compounds. The distinct properties of 2D materials on the nano-scale, provides a scientific and technological dreamscape to explore new physics and create new functionality.