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

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 tr...

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Auteurs principaux: 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
Format: article
Langue:EN
Publié: Nature Portfolio 2019
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Accès en ligne:https://doaj.org/article/8428e801e58d4e3eb6bc8becd3e3041f
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Résumé: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