The DOI matches its Crossref record; 6 of the 6 references it cites were found in a registry or an index.
eg occupancy as an effective descriptor for the catalytic activity of perovskite oxide-based peroxidase mimics
Open accessAbstract
A peroxidase catalyzes the oxidation of a substrate with a peroxide. The search for peroxidase-like and other enzyme-like nanomaterials (called nanozymes) mainly relies on trial-and-error strategies, due to the lack of predictive descriptors. To fill this gap, here we investigate the occupancy of eg orbitals as a possible descriptor for the peroxidase-like activity of transition metal oxide (including perovskite oxide) nanozymes. Both experimental measurements and density functional theory calculations reveal a volcano relationship between the eg occupancy and nanozymes’ activity, with the highest peroxidase-like activities corresponding to eg occupancies of ~1.2. LaNiO 3-δ, optimized based on the eg occupancy, exhibits an activity one to two orders of magnitude higher than that of other representative peroxidase-like nanozymes. This study shows that the eg occupancy is a predictive descriptor to guide the design of peroxidase-like nanozymes; in addition, it provides detailed insight into the catalytic mechanism of peroxidase-like nanozymes.
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Nanozymes: A clear definition with fuzzy edges
Wei, H., Gao, L., Fan, K., Liu, J., He, J., Qu, X., Dong, S., Wang, E., & Yan, X. (2021) · Nano Today · doi:10.1016/j.nantod.2021.101269 · Cited by 580
Self-citationĎurovič, M., Hnát, J., & Bouzek, K. (2021) · Journal of Power Sources · doi:10.1016/j.jpowsour.2021.229708 · Cited by 436
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Zhang, S., Li, Y., Sun, S., Liu, L., Mu, X., Liu, S., Jiao, M., Chen, X., Chen, K., Ma, H., et al. (2022) · Nature Communications · doi:10.1038/s41467-022-32411-z · Cited by 280
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Metadata
- Authors
- Wang, X., Gao, X. J., Qin, L., Wang, C., Song, L., Zhou, Y.-N., Zhu, G., Cao, W., Lin, S., Zhou, L., Wang, K., Zhang, H., Jin, Z., Wang, P., Gao, X., & Wei, H.
- Venue
- Nature Communications
- Published
- 2019-02-11
- Volume
- 10
- Issue
- 1
- Pages
- 704-704
- ISSN
- 2041-1723 (ISSN-L)
- OpenAlex
- W2914134086
- Cited by
- 358
- References
- 6
- FWCI
- 12.77
- Type
- journal article
- Language
- en
- Open access
- gold
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- Wang, X., Gao, X. J., Qin, L., Wang, C., Song, L., Zhou, Y.-N., Zhu, G., Cao, W., Lin, S., Zhou, L., Wang, K., Zhang, H., Jin, Z., Wang, P., Gao, X., & Wei, H. (2019). eg occupancy as an effective descriptor for the catalytic activity of perovskite oxide-based peroxidase mimics. Nature Communications. https://doi.org/10.1038/s41467-019-08657-5
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