Computational studies of the metal-organic framework Cu2(CO2)4 + H2ABDC-X, (X = F, Cl, Br): stability, electronic structure, and defects

In the light of new technologies to fight climate change, MOFs are proven to be quite useful. Metal- organic frameworks (MOFs) are porous materials formed by linking organic units with metal clusters as nodes (SBU). Large porosity and surface area values make them a good candidate for any applicatio...

• المؤلف الرئيسي: Vera Guzmán, Eder René (author)
• التنسيق: bachelorThesis
• اللغة: eng
• منشور في: 2023
• الموضوعات: Teoría funcional de densidad; Fotocatálisis; Reducción de CO2; Density functional theory; Photocatalysis; CO2 reduction
• الوصول للمادة أونلاين: http://repositorio.yachaytech.edu.ec/handle/123456789/646