Adsorption of SO2 and NO2 on ZrO2 (1 1 0) Surface: Density Functional Theory and Molecular Dynamic Simulation Studies
In order to save the environment, there is an urgent need for control measures due to the rapidly rising concentration of greenhouse gases in the atmosphere. Density functional theory (DFT) and molecular dynamic simulation investigations are used in this study to examine the adsorption characteristi...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Chemical Science and Technologies Association
2022-08-01
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| Series: | Journal of Chemistry Letters |
| Subjects: | |
| Online Access: | https://www.jchemlett.com/article_164661_614c5dec92793e3f27b8e9ee40747e91.pdf |
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