Research

Research Project - 1: Design of Superior Electrocatalysts for the Electrochemical Energy Conversion Reactions

The commercialization of electrochemical energy conversion processes depends strongly on the type of electrocatalyst used and its surface activity, since different facets exhibit different activity and Faradaic efficiency (FE) for the electrochemical RR. Therefore, tuning the catalysts surface plays a key role in the design of superior electrocatalysts with high FE towards formation of value-added chemicals and fuels. The first part of this project involves the electrochemical experiments by using different electrocatalysts. The second part involves the simulations for the elucidation of reaction mechanisms, thermodynamic and kinetic parameters prediction and application of Machine Learning (ML) algorithms for the prediction of Catalysts performance.

Research Project - 2: Electrocatalytic Valorization of Biomass

Research Project - 3: Design of Renewable-based Circular Polymers for Sustainable Energy Applications

Research Project - 4: In-silico design of Novel Materials for the High Performance Battery Applications

The aim of this project is to screen various materials and to identify high performance electrode materials for the Li-, Na-ion battery applications. The first part of this project involves the application of DFT/MD simulations to predict the structure-property relationships in metal/oxide-based materials for Li-, and Na-ion intercalation/deintercalation. Based on the insights obtained from the simulations, we will set up the experiments to synthesize the electrode materials for rechargeable batteries. The experiments will be performed with the help from our collaborators. 

Furthermore, we develop Machine Learning (ML) pipeline for screening different electrolyte materials and for finding the optimum electrolytes for the high performance rechargeable batteries.