Density Functional Theory Study on the Adsorption Mechanism of Sulphide Gas Molecules on α-Fe2O3(001) Surface

Zhou, Li; Zhu, Huadong; Zeng, Wen

doi:10.3390/inorganics9110080

Public

Density Functional Theory Study on the Adsorption Mechanism of Sulphide Gas Molecules on α-Fe2O3(001) Surface

Shared by NobleBlocks on Nov 1, 2021 • 12:00 AM UTC

Authors:

Li Zhou

Huadong Zhu

Wen Zeng

Abstract

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 (H2S), carbonyl sulfur (COS), and methyl mercaptan (CH3SH) ...

Subject

QD146-197

Inorganic chemistry

α-Fe2O3(001) surface

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