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用于高效光催化将CO还原为CO的锆基金属有机框架:掺杂金属离子的影响

Zirconium-Based Metal-Organic Framework for Efficient Photocatalytic Reduction of CO to CO: The Influence of Doped Metal Ions.

作者信息

Gao Xiaosu, Guo Biao, Guo Chunmei, Meng Qide, Liang Jing, Liu Jinxuan

机构信息

State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, 116024 Dalian, China.

出版信息

ACS Appl Mater Interfaces. 2020 May 27;12(21):24059-24065. doi: 10.1021/acsami.0c05631. Epub 2020 May 13.

DOI:10.1021/acsami.0c05631
PMID:32364366
Abstract

Recent developments have been highlighted for UiO-type materials, a class of metal-organic frameworks (MOFs) with high stability, as catalysts for photocatalytic CO reduction. We design and synthesize two metal ion (Co, Re)-doped UiO-67 as catalysts for the photocatalytic CO reduction reaction and demonstrate that Co-UiO-67 exhibits better photocatalytic activity relative to Re-UiO-67. The superior photocatalytic activity of Co-UiO-67 over Re-UiO-67 results from the improved charge transportability and higher CO adsorption capacity. Density functional theory (DFT) calculations reveal that the energy barrier of Co-UiO-67 (0.86 eV) for catalytic CO reduction to CO is lower than that of Re-UiO-67 (0.92 eV), thus leading to superior photocatalytic performance of Co-UiO-67 than that of Re-UiO-67.

摘要

最近,具有高稳定性的一类金属有机框架(MOF)材料——UiO型材料,作为光催化CO还原反应的催化剂,其进展备受关注。我们设计并合成了两种金属离子(Co、Re)掺杂的UiO-67作为光催化CO还原反应的催化剂,并证明相对于Re-UiO-67,Co-UiO-67表现出更好的光催化活性。Co-UiO-67相对于Re-UiO-67具有优异的光催化活性,这源于其电荷传输能力的提高和更高的CO吸附容量。密度泛函理论(DFT)计算表明,Co-UiO-67催化CO还原为CO的能垒(0.86 eV)低于Re-UiO-67(0.92 eV),因此Co-UiO-67的光催化性能优于Re-UiO-67。

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