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.