Nature Communications (Feb 2019)

e g occupancy as an effective descriptor for the catalytic activity of perovskite oxide-based peroxidase mimics

  • Xiaoyu Wang,
  • Xuejiao J. Gao,
  • Li Qin,
  • Changda Wang,
  • Li Song,
  • Yong-Ning Zhou,
  • Guoyin Zhu,
  • Wen Cao,
  • Shichao Lin,
  • Liqi Zhou,
  • Kang Wang,
  • Huigang Zhang,
  • Zhong Jin,
  • Peng Wang,
  • Xingfa Gao,
  • Hui Wei

DOI
https://doi.org/10.1038/s41467-019-08657-5
Journal volume & issue
Vol. 10, no. 1
pp. 1 – 8

Abstract

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The search for peroxidase-like as well as other enzyme-like nanozymes mainly relies on trial-and-error strategies, due to the lack of predictive descriptors. Here, the authors fill this gap by investigating the occupancy of e g orbitals as a possible descriptor for the peroxidase-like activity of transition metal oxide nanozymes