Asymmetric Cu(I)─W Dual-Atomic Sites Enable C─C Coupling for Selective Photocatalytic CO(2) Reduction to C(2)H(4)

不对称的 Cu(I)─W 双原子位点实现 C─C 偶联,用于选择性光催化 CO(2) 还原为 C(2)H(4)

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Abstract

Solar-driven CO(2) reduction into value-added C(2+) chemical fuels, such as C(2)H(4), is promising in meeting the carbon-neutral future, yet the performance is usually hindered by the high energy barrier of the C─C coupling process. Here, an efficient and stabilized Cu(I) single atoms-modified W(18)O(49) nanowires (Cu(1)/W(18)O(49)) photocatalyst with asymmetric Cu─W dual sites is reported for selective photocatalytic CO(2) reduction to C(2)H(4). The interconversion between W(V) and W(VI) in W(18)O(49) ensures the stability of Cu(I) during the photocatalytic process. Under light irradiation, the optimal Cu(1)/W(18)O(49) (3.6-Cu(1)/W(18)O(49)) catalyst exhibits concurrent high activity and selectivity toward C(2)H(4) production, reaching a corresponding yield rate of 4.9 µmol g(-1) h(-1) and selectivity as high as 72.8%, respectively. Combined in situ spectroscopies and computational calculations reveal that Cu(I) single atoms stabilize the *CO intermediate, and the asymmetric Cu─W dual sites effectively reduce the energy barrier for the C─C coupling of two neighboring CO intermediates, enabling the highly selective C(2)H(4) generation from CO(2) photoreduction. This work demonstrates leveraging stabilized atomically-dispersed Cu(I) in asymmetric dual-sites for selective CO(2)-to-C(2)H(4) conversion and can provide new insight into photocatalytic CO(2) reduction to other targeted C(2+) products through rational construction of active sites for C─C coupling.

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