Cu2S Nanoparticle-Modified Copper Hydroxide Nanowire Arrays for Optimized Electrochemical CO2 Reduction Selectivity,ACS Applied Nano Materials

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Cu2S Nanoparticle-Modified Copper Hydroxide Nanowire Arrays for Optimized Electrochemical CO2 Reduction Selectivity
ACS Applied Nano Materials ( IF 5.3 ) Pub Date : 2023-05-18 , DOI: 10.1021/acsanm.3c01079
Enhui Cui ₁ , Wei Zhang ₁ , Xuan Zhou ₁ , Lei Lv ₁ , Wei Chen ₁ , Liang Zhou _{1,

2,

3} , Liqiang Mai _{1,

2,

3}

Affiliation

A copper-based catalyst exhibits a wide distribution of catalytic products in electrochemical CO₂ reduction. However, it faces a grand challenge in reaction selectivity. A deeper understanding is needed regarding the mechanism of its diversified product selectivity. Herein, we design a cuprous sulfide nanoparticle-modified copper hydroxide nanowire array precatalyst by a simple solvothermal method for revealing the catalytic mechanism of copper-based catalysts in electrochemical CO₂ reduction. The role of cuprous sulfide nanoparticle modification in copper hydroxide nanowires on formate formation during CO₂ reduction is investigated. The intermediate during CO₂ reduction is altered by sulfur modification, resulting in improvement in formate selectivity. Density functional theory is used to investigate the effect of trace sulfur modification in copper on activity and selectivity toward formate formation. Compared with a pure copper surface, sulfur modification in copper can promote the formation of *OCHO, a key intermediate along the formate pathway.

中文翻译：

用于优化电化学 CO2 还原选择性的 Cu2S 纳米粒子改性氢氧化铜纳米线阵列

铜基催化剂在电化学CO ₂还原中表现出广泛分布的催化产物。然而，它在反应选择性方面面临着巨大的挑战。需要对其多样化产品选择性的机制有更深入的了解。在此，我们通过简单的溶剂热法设计了硫化亚铜纳米颗粒修饰的氢氧化铜纳米线阵列预催化剂，以揭示铜基催化剂在电化学 CO 2 还原中的催化_机理。研究了氢氧化铜纳米线中硫化亚铜纳米颗粒改性对 CO _{2还原过程中甲酸盐形成的作用。}_{CO 2}中间体硫改性改变了还原，从而提高了甲酸盐的选择性。密度泛函理论用于研究铜中痕量硫改性对甲酸盐形成的活性和选择性的影响。与纯铜表面相比，铜中的硫改性可以促进*OCHO 的形成，*OCHO 是甲酸盐途径的关键中间体。

更新日期：2023-05-18

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