Research
My work is mostly focused on low dimensional materials for their application in nanoscale devices / interconnects and also for clean energy applications as Li/Na ion batteries and heterojunction solar-cells by means of predictive computational approaches such as density functional theory (DFT) and density functional tight binding (DFTB) approach.
Research areas:
· First-principles based simulations on electronic materials.
· Defects, strain and lattice engineering in 2D materials and vdW heterostructures.
· Novel electrodes for Li/Na ion battery applications.
· Thermoelectric properties of low dimensional systems.
· Quantum Transport in low dimensional systems (1D and 2D materials).
· Non-Equilibrium Green’s Function (NEGF) based nano-electronic device simulation.