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<...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-11-01
|
| Series: | Inorganics |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2304-6740/9/11/80 |