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Xiao-Long Yang

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Sep 2026

Revisiting nuclear quantum effects on the mechanism of electrochemical reduction of CO at Cu(111) surface.

The initial hydrogenation step of *CO on Cu(111) dictates product selectivity in electrochemical CO2 reduction, yet its mechanism remains controversial. Here, at an acidic aqueous Cu(111) interface, we systematically compute the free energy profiles for *CHO and *COH formation via multiple pathways, including direct *H...

Xiao-Long Yang, Shen-Zhen Xu · 0 citations

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