Chem · 2024 · 72 citations · 55 references
Natural SciencesMaterials EngineeringMaterials ScienceCatalysisInterface ScienceSurface ChemistryCatalyst DesignCatalytic MaterialsCatalytic Reaction EngineeringInterface EngineeringPlasma-surface InteractionsSurface PhysicsCatalyst Surface EngineeringCatalyst SurfacesCo OxidationHydrogenation CatalysisPlasma-assisted Catalysis
Plasma catalysis offers a flexible and decentralized solution for CO2 hydrogenation to methanol under ambient conditions, avoiding the high temperatures and pressures required for thermal catalysis. However, the reaction mechanism, particularly plasma-assisted surface reactions, remains unclear, limiting the development of efficient catalysts for selective methanol synthesis. Here, we report a bimetallic Ni-Co catalyst effective in plasma-catalytic CO2 hydrogenation to methanol at 35°C and 0.1 MPa, achieving 46% methanol selectivity and 24% CO2 conversion. In situ plasma-coupled Fourier transform infrared characterization, along with density functional theory calculations, reveals that the engineered bimetallic sites act as primary active centers for methanol synthesis, promoting the rate-determining step in H-radical-induced reaction pathways by reducing steric hindrance effects. This work demonstrates the significant potential of bimetallic catalysts in plasma-catalytic CO2 hydrogenation to methanol under ambient conditions, representing a major step toward sustainable CO2 conversion and fuel production.
55
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17