Senior Project Scientist (Aug 2020 - Present)
Research Area Machine Learning Driven Discovery of 2D MXene Catalysts for CO2 Reduction to Hydrocarbon Fuels
Area of Interest Owing to the ever-increasing concentrations of CO2 in the Earth’s atmosphere and its concomitant effect on climate change, the world needs to remove vast amounts of this greenhouse gas from the atmosphere as well as cut emissions to avoid catastrophic global warming. With this aim, I design and develop a library of unique, active, and selective new 2D MXene catalysts. This will be achieved by fusing quantum mechanical models with modern machine learning methods so as to generate vast scientific knowledge that would be utilized as a reference for electro-catalytic CO2 reduction, hence at mild conditions, into hydrocarbon fuels, thereby contributing to provide the real-world energy demands.


Parey V, Abraham BM, Mir S and Singh JK "High-throughput screening of atomic defects in MXenes for CO2 capture, activation and dissociation "ACS Applied Materials and Interfaces (2021)

Tiwari S , Abraham BM and Singh JK "Insight into the mechanism of nanoparticle induced suppression of interfacial tension "Journal of Molecular Liquids (2021)

Abraham M, Parey V, Jyothirmal MV, Singh JK "Tuning the structural properties and chemical activities of graphene and hexagonal boron nitride for efficient adsorption of steroidal pollutants "Applied Surface Science (2022)

Parey, V, Abraham, B, Jyothirmai, and Singh JK "Mechanistic Insights for Electrochemical Reduction of CO2 into Hydrocarbon Fuels over O-Terminated MXenes "Catal. Sci. Technol. (2022)

B. Moses Abraham, Vanshree Parey, Jayant K. Singh "A strategic review of MXenes as emergent building blocks for future two-dimensional materials: recent progress and perspectives "Journal of Materials Chemistry C (2022)

Jyothirmai, M. V. and Abraham, B. Moses and Singh, Jayant K. "The pressure induced phase diagram of double-layer ice under confinement: a first-principles study "Phys. Chem. Chem. Phys. (2022)