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...

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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

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