Adsorption
; Carbon dioxide
; Catalyst selectivity
; Chemical activation
; Density functional theory
; Dissociation
; Gas adsorption
; Hydrogenation
; Activation of CO2
; CO adsorption
; CO2 adsorption
; CO2 hydrogenation
; Molecular adsorption
; Product selectivities
; Stable Configuration
; Surface coverages
; Iron
State Key Laboratory of Fine Chemicals, PSU-DUT Joint Center for Energy Research, School of Chemical Engineering, Dalian University of Technology, Dalian, 116024, China; EMS Energy Institute, PSU-DUT Joint Center for Energy Research, Department of Energy and Mineral Engineering, Pennsylvania State University, University Park, PA 16802, United States; Network and Informationization Center, Dalian University of Technology, Dalian, 116024, China
Recommended Citation:
Wang H.,Nie X.,Chen Y.,et al. Facet effect on CO2 adsorption, dissociation and hydrogenation over Fe catalysts: Insight from DFT[J]. Journal of CO2 Utilization,2018-01-01,26