Single-Atom Catalysts for CO2 Reduction to Oxalate: Theoretical Design and Reaction Condition Prediction

The electrochemical conversion of carbon dioxide (CO2) into high-value-added products under mild conditions is crucial for achieving carbon neutrality. Oxalate (C2O42–) is one of the most important industrial...

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Bibliographic Details
Main Author:	Ying Zhou (25031) (author)
Other Authors:	Xuan Wu (126953) (author), Ping Zhu (11521) (author), Wenhua Zhang (317886) (author)
Published:	2025
Subjects:	Science Policy Environmental Sciences not elsewhere classified Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified reaction condition prediction 2 –</ sup varying reaction conditions offers theoretical guidance achieving carbon neutrality ti – n cr – n single metal atoms alongside high selectivity 2 </ sub c – c – n x </ theoretical design mild conditions carbon dioxide widely used using single systematically tuning sub >< remarkably low reducing agent promising catalysts operating efficiently mechanistic understanding highly sensitive findings demonstrate energy barrier electrode potential determining step designing high coordination environment catalytic performance catalytic activity atom catalysts also deepens added products 6 v 31 ev
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Single-Atom Catalysts for CO<sub>2</sub> Reduction to Oxalate: Theoretical Design and Reaction Condition Prediction

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