ajinkya21@iitk.ac.in
Data Scientist (Dec 2021 - Present)
Research Area Selective adsorption of CO2 using MOF
Area of Interest DFT calculations (using VASP) to find out 1. Stability of MXenes after single atom catalysis 2. Binding energy after CO2 activation This will provide the best combination of transition metal and MXene for CO2 capture
Expertise

Publications


Ajinkya Athawale, B Moses Abraham, MV Jyothirmai, Jayant K Singh "MXene-Based Single-Atom Catalysts for Electrochemical Reduction of CO2 to Hydrocarbon Fuels "The Journal of Physical Chemistry C (2023)