Monitoring Mechanical, Electronic, and Catalytic Trends in a Titanium Metal Organic Framework Under the Influence of Guest-Molecule Encapsulation Using Density Functional Theory

In this study, we conduct a density functional theory investigation to study the mechanical stability of a titanium-based metal organic framework (MOF-901), which was hypothetically assumed to possess 2D characteristics. It is systematically found that the encapsulation of methanol enhances the mech...

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Detalles Bibliográficos
Autores principales: Dong, Hieu C., Nguyen, Ha L., Le, Hung M., Thoai, Nam, Kawazoe, Yoshiyuki, Nguyen-Manh, Duc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6226509/
https://www.ncbi.nlm.nih.gov/pubmed/30413771
http://dx.doi.org/10.1038/s41598-018-35117-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6226509/
https://www.ncbi.nlm.nih.gov/pubmed/30413771
http://dx.doi.org/10.1038/s41598-018-35117-9

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