Advancing the Understanding of Oxygen Vacancies in Ceria: Insights into Their Formation, Behavior, and Catalytic Roles DOI Creative Commons
Zhongkang Han, Wen Liu, Yi Gao

et al.

JACS Au, Journal Year: 2025, Volume and Issue: unknown

Published: March 28, 2025

Oxygen vacancies (OV's) in ceria (CeO2) are critical structural and electronic features that underpin ceria's remarkable oxygen storage capacity, redox catalytic performance, wide-ranging applications catalysis, solid oxide fuel cells, gas sensors. These vacancies, which result from the removal of atoms, enable dynamic exchange between its environment, profoundly influencing properties. The intricate surface structures play a key role determining properties interactions with supported metal catalysts. Over past decade, advancements state-of-the-art situ characterizations, first-principles calculations, emerging machine learning frameworks have significantly enhanced our understanding formation mechanisms, behaviors, roles OV's. This perspective highlights recent experimental theoretical progress research, emphasizing interplay reactive environments. Additionally, addresses challenges elucidating defect chemistry explores opportunities to tailor using multiscale modeling AI-driven methodologies.

Language: Английский

Advancing the Understanding of Oxygen Vacancies in Ceria: Insights into Their Formation, Behavior, and Catalytic Roles DOI Creative Commons
Zhongkang Han, Wen Liu, Yi Gao

et al.

JACS Au, Journal Year: 2025, Volume and Issue: unknown

Published: March 28, 2025

Oxygen vacancies (OV's) in ceria (CeO2) are critical structural and electronic features that underpin ceria's remarkable oxygen storage capacity, redox catalytic performance, wide-ranging applications catalysis, solid oxide fuel cells, gas sensors. These vacancies, which result from the removal of atoms, enable dynamic exchange between its environment, profoundly influencing properties. The intricate surface structures play a key role determining properties interactions with supported metal catalysts. Over past decade, advancements state-of-the-art situ characterizations, first-principles calculations, emerging machine learning frameworks have significantly enhanced our understanding formation mechanisms, behaviors, roles OV's. This perspective highlights recent experimental theoretical progress research, emphasizing interplay reactive environments. Additionally, addresses challenges elucidating defect chemistry explores opportunities to tailor using multiscale modeling AI-driven methodologies.

Language: Английский

Citations

1