Density Functional Theory Study on the Adsorption Mechanism of Sulphide Gas Molecules on α-Fe<sub>2</sub>O<sub>3</sub>(001) Surface

Density Functional Theory Study on the Adsorption Mechanism of Sulphide Gas Molecules on α-Fe<sub>2</sub>O<sub>3</sub>(001) Surface

Sulphide gas is an impurity that affects the quality of natural gas, which needs reasonable storage and transportation. In this work, we investigated the adsorption structure and electronic behavior of hydrogen sulfide (H<sub>2</sub>S), carbonyl sulfur (COS), and methyl mercaptan (CH<...

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Autores principales: Li Zhou, Huadong Zhu, Wen Zeng
Formato: article
Lenguaje:EN
Publicado: MDPI AG 2021
Materias:
adsorption
sulphide molecules
α-Fe<sub>2</sub>O<sub>3</sub>(001) surface
electron
Inorganic chemistry
QD146-197
Acceso en línea:https://doaj.org/article/c1007134b574409da09c295bdc0107e4
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