Accelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening
oleh: Zhenzhen Wang, Jiangjiexing Wu, Jia-Jia Zheng, Xiaomei Shen, Liang Yan, Hui Wei, Xingfa Gao, Yuliang Zhao
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2021-11-01 |
Deskripsi
A general predicting theory for superoxide-dismutase mimicking nanomaterials is currently lacking. The present manuscript reports a density functional theory study on the superoxides dismutase-like activity of nanomaterials based on their electronic band structures and surface adsorption energies.