Thermodynamic and Kinetic Study of Carbon Dioxide Hydrogenation on the Metal-Terminated Tantalum-Carbide (111) Surface: A DFT Calculation

Thermodynamic and Kinetic Study of Carbon Dioxide Hydrogenation on the Metal-Terminated Tantalum-Carbide (111) Surface: A DFT Calculation

The need to reduce our reliance on fossil fuels and lessen the environmentally harmful effects of CO<sub>2</sub> have encouraged investigations into CO<sub>2</sub> hydrogenation to produce useful products. Transition metal carbides exhibit a high propensity towards CO<sub&...

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Bibliographic Details
Main Authors: Saeedeh Sarabadani Tafreshi, S. Fatemeh. K. S. Panahi, Narges Taghizade, Maryam Jamaati, Mahkameh Ranjbar, Nora H. de Leeuw
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:Catalysts
Subjects:
carbon dioxide
hydrogenation
catalyst
tantalum carbide
DFT
Online Access:https://www.mdpi.com/2073-4344/12/10/1275

Internet

https://www.mdpi.com/2073-4344/12/10/1275

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