Project 1 – Corrosion Inhibitors

Computational (DFT, DFTB, MD, ReaxFF) and experimental (EIS, SEM, XPS) studies reveal adsorption, charge transfer, and film formation, guiding the design of efficient, eco-friendly corrosion inhibitors.

Project 2 – Rebar Corrosion in Concrete

Hybrid computational–experimental approach to understand chloride, sulfate, and carbonation attack on rebar steel; inhibitor performance evaluated via modeling, immersion tests, and EIS analysis.

Project 3 – Self-Healing Coatings

Atomistic modeling and long-term durability tests of hybrid coatings; combining simulations of defect tolerance and ion transport with experimental self-healing performance.

Project 4 – Environmental Interfaces

Computational studies (DFT, DFTB, MD) to assess adsorption and oxidation of pollutants; experiments to confirm pollutant removal with batch tests and analytical techniques.

Project 5 – Organic Solar Cells (OSCs)

Computational DFT/TD-DFT to explore frontier orbitals, charge transfer, and donor–acceptor stability.