Mechanistic Insights for Dry Reforming of Methane on Cu/Ni Bimetallic Catalysts: DFT-Assisted Microkinetic Analysis for Coke Resistance

Mechanistic Insights for Dry Reforming of Methane on Cu/Ni Bimetallic Catalysts: DFT-Assisted Microkinetic Analysis for Coke Resistance

Density functional theory (DFT) calculations have been utilized to evaluate the complete reaction mechanism of methane dry reforming (DRM) over Ni<sub>2</sub>Cu (111) bimetallic catalyst. The detailed catalytic cycle on Ni<sub>2</sub>Cu (111) catalyst demonstrated superior co...

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Bibliographic Details
Main Authors: Ahmed Omran, Sun Hee Yoon, Murtaza Khan, Minhaj Ghouri, Anjaneyulu Chatla, Nimir Elbashir
Format: Article
Language:English
Published: MDPI AG 2020-09-01
Series:Catalysts
Subjects:
density functional theory (DFT)
dry reforming of methane (DRM)
Ni<sub>2</sub>Cu (111)
bimetallic catalyst
coke resistance
catalyst deactivation
Online Access:https://www.mdpi.com/2073-4344/10/9/1043

Internet

https://www.mdpi.com/2073-4344/10/9/1043

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