Density Functional Theory Investigation of the Biocatalytic Mechanisms of pH-Driven Biomimetic Behavior in CeO2

• Published in: ACS applied materials & interfaces Vol. 14; no. 9; pp. 11937 - 11949
• Main Authors: Ma, Hongyang, Liu, Zhao, Koshy, Pramod, Sorrell, Charles C, Hart, Judy N
• Format: Journal Article
• Language: English
• Published: American Chemical Society 09.03.2022
• Subjects: Surfaces, Interfaces, and Applications; pH; CeO2; DFT; ROS; oxygen vacancies

There is considerable interest in the pH-dependent, switchable, biocatalytic properties of cerium oxide (CeO2) nanoparticles in biomedicine, where these materials exhibit beneficial antioxidant activity against reactive oxygen species (ROS) at a basic physiological pH but cytotoxic prooxidant activi...