Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study

Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study

Hydrogen molecule adsorption has been investigated on additional framework of Mg atom in DFT type zeolite by way of Density Functional Theory. The electronegativity, HOMO and LUMO energies chemical hardness, chemical potential, adsorption enthalpy and adsorption energy values have been calculated on...

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Bibliographic Details
Main Author: Mehmet Ferdi FELLAH
Format: Article
Language:English
Published: Bursa Technical University 2017-12-01
Series:Journal of Innovative Science and Engineering
Subjects:
hydrogen adsorption
dft zeolite
mg atom
dft
Online Access:http://jise.btu.edu.tr/tr/pub/issue/38671/449372

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