The Adsorption Behaviors of CO and H<sub>2</sub> to FeO onto CaO Surfaces: A Density Functional Theory Study

The Adsorption Behaviors of CO and H<sub>2</sub> to FeO onto CaO Surfaces: A Density Functional Theory Study

The adsorption behaviors of CO and H<sub>2</sub> to FeO onto CaO surfaces have been studied using the density functional theory (DFT) to determine the reactions of FeO by CO and H<sub>2</sub>. The adsorption mechanisms of FeO clusters on the CaO(100) and CaO(110) surfaces wer...

Full description

Bibliographic Details
Main Authors: Ziming Wang, Yaqiang Li, Yaping Dou, Kejiang Li, Wanhai Yu, Pengcheng Sheng
Format: Article
Language:English
Published: MDPI AG 2023-08-01
Series:Molecules
Subjects:
density functional theory
adsorption
H<sub>2</sub> and CO
FeO
CaO surface
Online Access:https://www.mdpi.com/1420-3049/28/16/5971

Internet

https://www.mdpi.com/1420-3049/28/16/5971

Similar Items