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切换产品在电催化中的选择性 C) H键激活和 CO) 2 碳氧化通过 Cu) S键晶体工程

Hang Liu¹, Jia Zeng¹, Denghong Zhao¹

¹Key Laboratory of Catalysis Science and Technology of Chongqing Education Commission, Chongqing Key Laboratory of Catalysis and New Environmental Materials, Chongqing Technology and Business University, Chongqing, 400067, P.R. China.

Angewandte Chemie (International ed. in English)

|March 18, 2025

概括

硫化铜 (Cu─S) 键的晶体工程增强了电催化C(sp3) -H激活和CO2碳氧化. 这种方法实现了高选择性,可以从,芳和生物质中生产有价值的碳酸.

科学领域:

材料科学材料科学材料科学
电化学电化学电化学
催化剂是一种催化剂.

背景情况:

惰性C ((sp3) -H键激活和CO2碳氧化提供了一条可持续的途径,以获得有价值的碳酸,这对于碳中和至关重要.
目前的催化系统在活性和化学选择性方面面临限制,这阻碍了实际应用.
开发高效的电催化剂是克服这些挑战的关键.

研究的目的:

研究晶体工程对Cu─S键对电催化C(sp3) -H激活和CO2碳氧化物的影响.
为了增强碳氧化过程的活性和化学选择性.
利用工程催化剂,探索生物质化合物的转化为有价值的化学物质.

主要方法:

电催化利用具有特定晶体面 (CuS(001) 和Cu2S(110) 的工程硫化铜 (CuS) 催化剂.
在和芳香化合物中对C ((sp3) -H键激活的研究.
二氧化碳碳化反应以形成单碳化和二碳化酸.
密度函数理论 (DFT) 计算以阐明反应机制和选择性起源.

主要成果:

六角CuS(001) 显示出高活性和化学选择性,用于和芳的单碳氧化.
六角Cu2S(110) 对基和芳香物的二碳氧化具有很高的选择性.
使用CuS(001) 有效地将2-甲基转化为 furan-2-酸.
使用Cu2S(110) 将2,5-二甲基转化为 furan-2,5-二碳酸的定量转化.

结论:

-S键的晶体工程显著提高了C(sp3) -H激活和CO2碳氧化碳的电催化性能.
定制硫化铜的晶体面使得单和二碳酸的选择性合成.
工程化硫化铜催化剂显示出将生物质转化为有价值的化学产品的前景.

关键词:

C(sp3)─H债券的激活方式晶体工程晶体工程在CuS/Cu2S纳米板上.间接的电催化剂间接的电催化剂.选择性二氧化碳碳氧化.

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