Theoretical Study of CO Adsorption and Activation on Orthorhombic Fe<sub>7</sub>C<sub>3</sub>(001) Surfaces for Fischer–Tropsch Synthesis Using Density Functional Theory Calculations

Theoretical Study of CO Adsorption and Activation on Orthorhombic Fe<sub>7</sub>C<sub>3</sub>(001) Surfaces for Fischer–Tropsch Synthesis Using Density Functional Theory Calculations

Fischer–Tropsch synthesis (FTS), which converts CO and H<sub>2</sub> into useful hydrocarbon products, has attracted considerable attention as an efficient method to replace crude oil resources. Fe-based catalysts are mainly used in industrial FTS, and Fe<sub>7</sub>C<sub&...

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Bibliographic Details
Main Authors: Hee-Joon Chun, Yong Tae Kim
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Energies
Subjects:
density functional theory
Fischer–Tropsch synthesis
iron carbide
orthorhombic Fe<sub>7</sub>C<sub>3</sub>(001), CO adsorption
CO dissociation
Online Access:https://www.mdpi.com/1996-1073/14/3/563

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https://www.mdpi.com/1996-1073/14/3/563

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