Investigating the Physical Adsorption of DCPD/Furfural and H<sub>2</sub> Adsorption–Dissociation Behaviors in RE-MOFs

Investigating the Physical Adsorption of DCPD/Furfural and H<sub>2</sub> Adsorption–Dissociation Behaviors in RE-MOFs

Metal–organic frameworks (MOFs) have emerged as promising catalysts in the hydrogenation of bicyclopentadiene (DCPD) and furfural. The physical adsorption behaviors of substrate molecules and H<sub>2</sub> within the pore structures of MOFs significantly influence the efficacy of subsequ...

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Bibliographic Details
Main Authors: Muye Niu, Zuoshuai Xi, Chenhui He, Wenting Ding, Shanshan Cheng, Juntao Zhang, Hongyi Gao
Format: Article
Language:English
Published: MDPI AG 2025-04-01
Series:Molecules
Subjects:
metal–organic framework
adsorption kinetics
hydrogenation
molecular dynamics simulation
DFT
Online Access:https://www.mdpi.com/1420-3049/30/9/1954
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