Toward an Active Site–Performance Relationship for Oxide-Supported Single and Few Atoms
Green Chemistry · Tsinghua University · +2 more institutions
Abstract
The directional regulation of product distribution is contingent upon the rational design of catalytically active sites, wherein a lucid comprehension of active site–performance relationships (APR) is indispensable. We employed syngas conversion as a prototypical reaction, and the dynamic evolution of APR across different neighboring density (ND) active sites was elucidated. The variability in APR is predominantly attributed to the alterations in the structure and electronic environment, which induce differential behavior in the adsorption/activation of reactants and the adsorption/desorption of intermediates. As the pivotal rate-limiting step, the adsorption–desorption dynamics of formaldehyde on Mo sites…
Citation impact
- FWCI
- 18.76
- Percentile
- 100%
- References
- 48
Authors
11Topics & keywords
- Active site
- Catalysis
- Oxide
- Chemistry
- Materials science
- Organic chemistry