Explores the proposed mechanism of CO2 reduction by FeNi-CODH and the selective 2-electron CO2 reduction to CO, highlighting the role of hydrogen bonding.
Explores electrocatalysis for renewable energy storage, focusing on hydrogen and CO2 reactions, catalyst challenges, MoS2 potential, and computational design.
Explores the design and advantages of molecular catalysts, focusing on their applications for hydrogen evolution reactions and the concept of overpotential.
Explores chemical transformations in (photo) electrocatalytic materials, including interface engineering, CO₂ reduction, and advanced characterization techniques.
Covers the efficient computation of heat capacity in metal organic frameworks using quantum classical methods and explores advanced PIMD techniques beyond benchmarks.
