Surface-dependent CO2 and CO activation on iron and iron carbides: Insights from density functional theory

Name: Surface-dependent CO2 and CO activation on iron and iron carbides: Insights from density functional theory
Creator: ATHIRA P
Published: 2025-08-12T15:30:06.690Z
Keywords: Carbon Dioxide, Density Functional Theory, Carbide

P, ATHIRA

doi:10.17632/cmb8fw25p3.2

Surface-dependent CO2 and CO activation on iron and iron carbides: Insights from density functional theory

Published: 12 August 2025| Version 2 | DOI: 10.17632/cmb8fw25p3.2

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ATHIRA P

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CIF file for all the surfaces and detailed methodology for CO₂ and CO adsorbed surfaces

Surface-dependent CO2 and CO activation on iron and iron carbides: Insights from density functional theory

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