Density Functional Study on Benzene, Toluene, Ethylbenzene and Xylene Adsorptions on ZnO(100) Surface
We study the interaction between benzene, toluene, ethylbenzene and xylene (BTEX) molecules with ZnO(100) surface by means of density functional theory-based calculations. We find that these interactions result in the physical adsorptions of BTEX gases with adsorption distances larger than 2 Å. Thes...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Jenderal Soedirman University
2019-06-01
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| Series: | Molekul |
| Subjects: | |
| Online Access: | https://ojs.jmolekul.com/ojs/index.php/jm/article/view/501 |