Density Functional Study on Benzene, Toluene, Ethylbenzene and Xylene Adsorptions on ZnO(100) Surface

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...

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Bibliographic Details
Main Authors: Nugraha Nugraha, Adhitya Gandaryus Saputro, Mohammad Kemal Agusta, Fiki Taufik Akbar, Aditya Dimas Pramudya
Format: Article
Language:English
Published: Jenderal Soedirman University 2019-06-01
Series:Molekul
Subjects:
adsorption
benzene
toluene
ethylbenzene
xylene
density functional theory
ZnO(100) surface
Online Access:https://ojs.jmolekul.com/ojs/index.php/jm/article/view/501

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https://ojs.jmolekul.com/ojs/index.php/jm/article/view/501

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