articleProceedings of the National Academy of SciencesJan 18, 2024HYBRID OA

Embedding electronic perpetual motion into single-atom catalysts for persistent Fenton-like reactions

FCFei ChenYSYi-Jiao SunXHXin-Tong HuangCBChang‐Wei BaiZZZhiquan Zhang

Chongqing University · Hunan University · +3 more institutions

PubMed
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Abstract

In our quest to leverage the capabilities of the emerging single-atom catalysts (SACs) for wastewater purification, we confronted fundamental challenges related to electron scarcity and instability. Through meticulous theoretical calculations, we identified optimal placements for nitrogen vacancies (Nv) and iron (Fe) single-atom sites, uncovering a dual-site approach that significantly amplified visible-light absorption and charge transfer dynamics. Informed by these computational insights, we cleverly integrated Nv into the catalyst design to boost electron density around iron atoms, yielding a potent and flexible photoactivator for benign peracetic acid. This exceptional catalyst exhibited remarkable…

Citation impact

133
total citations
FWCI
12.40
Percentile
100%
References
47
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Authors

9

Topics & keywords

Topics
Keywords
  • Embedding
  • Catalysis
  • Atom (system on chip)
  • Chemistry
  • Photochemistry
  • Materials science
  • Computer science
  • Organic chemistry
UN Sustainable Development Goals
  • Clean water and sanitation
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