Designer topological-single-atom catalysts show enhanced selectivity and catalytic activity for NOx removal.
A study introduces topological-single-atom catalysts (T-SACs) with metal single atoms arranged to achieve high site-specific selectivity and catalytic activity, particularly for NOx removal.
The research involved multiple authors from various institutions, focusing on catalysis and environmental science.
The findings were published recently, detailing innovative methods for catalyst design.
The research was conducted at specialized laboratories, likely within academic or research institutions focusing on materials science and catalysis.
Traditional catalysts often achieve low selectivity alongside catalytic activity, which can lead to unwanted byproducts. T-SACs aim to address these issues and promote sustainable technologies.
The researchers utilized density functional theory (DFT) and Ab initio molecular dynamics (AIMD) to model the catalysts and their interactions, demonstrating improved performance through careful geometric arrangements of the active sites.
The Mn1/CeO2 catalyst exhibits greatly reduced environmental impact compared to traditional catalysts, showing potential for large-scale applications.
Our study establishes T-SACs as a promising class of catalysts, offering a systematic framework to address catalytic challenges by defining site characteristics.
The Mn1/CeO2 configuration shows the weakest Mn-NH2 interaction compared to other crystal-field manganese oxides, fully demonstrating its superiority.
A life-cycle assessment reveals Mn1/CeO2 significantly reduces environmental impact compared to traditional V-W-Ti catalysts.