The idea of using CO2 as a feedstock and converting it to useful chemicals or fuels is the most appealing among all the CO2 capture, sequestration and utilization strategies. We aim to rationally design photocatalysts and electrocatalysts for CO2 reduction based on first-principles calculations and computational screening.
The fusion of nanotechnology and biology has led to increasing interface of
nanostructured materials with biological molecules. We strive to gain an accurate description and full understanding of the interaction between nanostructures and
biomolecules at the atomic level in their working environment using first-principles approaches.