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通过调节COF基催化剂的活性位点来增强光催化CO2RR

Xiao-Min Yuan¹, Deng-Meng-Fei Xiao², Cheng-Long Zhao¹

¹Anhui Provincial Key Laboratory of Advanced Catalysis and Energy Materials, Anhui Ultra High Molecular Weight Polyethylene Fiber Engineering Research Center, School of Chemistry and Chemical Engineering, Anqing Normal University, Anqing, 246133, P. R. China.

Small (Weinheim an der Bergstrasse, Germany)

|January 17, 2025

概括

金属化共价有机框架 (COF) 有效地将二氧化碳 (CO2) 转化为一氧化碳 (CO). -TAPT-Tp在这个关键的催化过程中表现出卓越的性能.

科学领域:

材料科学材料科学材料科学
催化剂是一种催化剂.
环境化学环境化学

背景情况:

大气中的二氧化碳 (CO2) 水平正在上升,需要创新的解决方案来减少二氧化碳.
共价有机框架 (COF) 为催化应用提供可调节的结构.
金属化COF正在成为转化二氧化碳的有希望的催化剂.

研究的目的:

为了合成和评估二氧化碳催化转换的金属化化胺COF.
为了比较 (Ni) 和 (Ti) 合并的COF的性能.
用计算方法阐明催化机制.

主要方法:

TAPT-Tp COF及其金属化衍生物 (Ni-TAPT-Tp,Ti-TAPT-Tp) 的合成.
在环境条件下对二氧化碳转化为二氧化碳的光催化评价.
密度函数理论 (DFT) 模拟用于研究反应中间体和能量概况.

主要成果:

Ni-TAPT-Tp的二氧化碳减排率为6182.5μmol g-1h-1,明显高于Ti-TAPT-Tp (1615.4μmol g-1h-1).
与Ti-TAPT-Tp相比,DFT模拟证实了Ni-TAPT-Tp上的关键中间体的能量障碍较低.
Ni-TAPT-Tp表现出优越的光催化活性和对减少二氧化碳的选择性.

结论:

Ni-TAPT-Tp 是一种高效的催化剂,可以将二氧化碳降低为二氧化碳.
在M-COF中金属原子的协调结构显著影响了催化性能.
这项研究为设计先进的金属化COF提供了洞察力,以有效利用CO2.

关键词:

减少二氧化碳的减少共价有机框架是共价有机框架.光催化作用的光催化作用

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