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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| Format: | Article |
| Language: | English |
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Bursa Technical University
2017-12-01
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| Series: | Journal of Innovative Science and Engineering |
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| Online Access: | http://jise.btu.edu.tr/tr/pub/issue/38671/449372 |