Mechanistic and kinetic effects of Ga on a Cu catalyst for CO2 hydrogenation to methanol

Mechanistic and kinetic effects of Ga on a Cu catalyst for CO2 hydrogenation to methanol

This work investigates the mechanistic and kinetic effects of gallium (Ga) promotion on copper (Cu) catalysts for carbon dioxide hydrogenation using the density functional theory (DFT), in situ infrared spectroscopy, and mean-field microkinetic simulations. The DFT calculations reveal potential reac...

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Bibliographic Details
Main Authors: Yerrayya Attada, Gontzal Lezcano, Vijay K. Velisoju, David Trueba, Shekhar R. Kulkarni, Ali Almofleh, Hassan Aljama, Pedro Castano
Format: Article
Language:English
Published: Elsevier 2025-06-01
Series:Journal of CO2 Utilization
Subjects:
Carbon dioxide (CO2) hydrogenation
Methanol
Density functional theory (DFT)
Microkinetics
Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS)
Online Access:http://www.sciencedirect.com/science/article/pii/S2212982025000708
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