Computational heterogeneous catalysis for alternative energy. Reaction mechanism investigation. Microkinetic Modeling. First-principles calculations on the stability and electronic structure of nanomaterials. DFT calculations of electronic, optical, transport and photovoltaic properties of nanoscale systems. Computational modelling of nanocomposites for the improvement of solar energy harvesting device performance using SCC-DFTB method.
Dr Biplab Rajbanshi
Dept. of Chemistry Siksha Bhavana, Visva-Bharati, SantiniketanBolpur, West Bengal, India - 731235