Changes in CO<sub>2</sub> Adsorption Affinity Related to Ni Doping in FeS Surfaces: A DFT-D3 Study

Changes in CO<sub>2</sub> Adsorption Affinity Related to Ni Doping in FeS Surfaces: A DFT-D3 Study

Metal sulphides constitute cheap, naturally abundant, and environmentally friendly materials for energy storage applications and chemistry. In particular, iron (II) monosulphide (FeS, mackinawite) is a material of relevance in theories of the origin of life and for heterogenous catalytic application...

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Bibliographic Details
Main Authors:	Aleksandar Živković, Michiel Somers, Eloi Camprubi, Helen E. King, Mariette Wolthers, Nora H. de Leeuw
Format:	Article
Language:	English
Published:	MDPI AG 2021-04-01
Series:	Catalysts
Subjects:	iron sulphides mackinawite density functional theory carbon dioxide (CO<sub>2</sub>) adsorption nickel doping
Online Access:	https://www.mdpi.com/2073-4344/11/4/486

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