Accelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening

Autor: Zhenzhen Wang, Jiangjiexing Wu, Jia-Jia Zheng, Xiaomei Shen, Liang Yan, Hui Wei, Xingfa Gao, Yuliang Zhao
Jazyk: angličtina
Rok vydání: 2021
Předmět:
Zdroj: Nature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
Druh dokumentu: article
ISSN: 2041-1723
DOI: 10.1038/s41467-021-27194-8
Popis: 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.
Databáze: Directory of Open Access Journals