Exploring the conversion mechanism of formaldehyde to CO2 and H2 catalyzed by bifunctional ruthenium catalysts: A DFT study
Molecular Catalysis（2022）
Abstract
•The mechanistic preference of bifunctional catalysts in multi-step catalytic reactions was elucidated.•The origin of the divergent activities of the different functional ligands was revealed.•New strategies for regulating and evaluating the catalytic driving force were proposed.
MoreTranslated text
Key words
Homogeneous catalysis,Dehydrogenation,Bifunctional catalyst,Reaction mechanism,Density functional theory
AI Read Science
Must-Reading Tree
Example
Generate MRT to find the research sequence of this paper
Chat Paper
Summary is being generated by the instructions you defined