First Principle Investigations Of Hydrogen Adsorption In Metal Organic Framework-5

• المؤلف الرئيسي: Hussim, Muhammad Hafiz
• التنسيق: أطروحة
• اللغة: English
• منشور في: 2013
• الموضوعات: LC5800-5808 Distance education.
• الوصول للمادة أونلاين: http://eprints.usm.my/43841/1/Muhammad%20Hafiz%20Bin%20Hussim24.pdf; http://eprints.usm.my/43841/

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...