articleJournal of the American Chemical SocietyJan 26, 2024Closed access

Manipulating the Spin State of Co Sites in Metal–Organic Frameworks for Boosting CO 2 Photoreduction

KSKang SunYHYan HuangQWQingyu WangWZWendi ZhaoXZXusheng Zheng

University of Science and Technology of China · Hefei National Center for Physical Sciences at Nanoscale · +1 more institution

PubMed
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Abstract

Photocatalytic CO2 reduction holds great potential for alleviating global energy and environmental issues, where the electronic structure of the catalytic center plays a crucial role. However, the spin state, a key descriptor of electronic properties, is largely overlooked. Herein, we present a simple strategy to regulate the spin states of catalytic Co centers by changing their coordination environment by exchanging the Co species into a stable Zn-based metal–organic framework (MOF) to afford Co-OAc, Co-Br, and Co-CN for CO2 photoreduction. Experimental and DFT calculation results suggest that the distinct spin states of the Co sites give rise to different charge separation abilities and energy barriers for…

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276
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39.73
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100%
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Authors

7

Topics & keywords

Topics
Keywords
  • Chemistry
  • Boosting (machine learning)
  • Metal-organic framework
  • Metal
  • Spin (aerodynamics)
  • Spin states
  • Nanotechnology
  • Inorganic chemistry
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