First Principle Investigations Of Hydrogen Adsorption In Metal Organic Framework-5
Computational molecular-orbital study had been conducted to find the binding energy and binding position of Metal Organic Frameworks – 5 (MOF – 5) for hydrogen molecules adsorption. Five model molecules (model molecule M1 to M5) for MOF-5 were investigated to find the effects of the 1,4-Benzenedi...
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| フォーマット: | 学位論文 |
| 言語: | 英語 |
| 出版事項: |
2013
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| 主題: | |
| オンライン･アクセス: | http://eprints.usm.my/43841/ |