Glucaric acid, glucose oxidation, catalyst characterization, DFT, microkinetic modelling
Magnetic catalysis, ammonia decomposition, composite catalysts, Ruthenium
CO2 photoreduction, gas-phase, liquid-phase, MOF, Carbon Nitride
Multiscale modeling, Haber-Bosch process, Ammonia synthesis, Ammonia decomposition
magnetic catalyst, electrification, ammonia synthesis, Ruthenium, magnetic heating
CO2 hydrogenation, Ethanol, DFT, Cu-ZSM-5, microkinetic modeling
Solvation Effect, Applied Potential, CO2 Electrochemical Reduction, Density Functional Theory, Zero-Point Energy, Copper Electrocatalyst, Nudged Elastic Band, pH.
Direct air capture, Intrinsic adsorption kinetics, CO₂ breakthrough modeling, Amine-functionalized sorbents, Lewatit® VP OC 1065, Density functional theory
mechanochemistry, Zeolitic Imidazolate Frameworks, Water adsorption, CO2 adsorption, Liquid Assisted Grinding
Plasma catalysis, ammonia synthesis, 0D chemical kinetic modeling, Density functional theory (DFT), Machine Learning (ML), reaction mechanism