Insight into the direct conversion of methane to methanol on modified ZIF-204 from the perspective of DFT-based calculations

Direct oxidation of methane over oxo-doped ZIF-204, a bio-mimetic metal–organic framework, is investigated under first-principles calculations based on density functional theory. In the pristine ZIF-204, the tetrahedral methane molecule anchors to an open monocopper site via the so-called η(2) confi...

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Detalles Bibliográficos
Autores principales: Le, Thong Nguyen-Minh, Le, Thu Bao Nguyen, Nguyen, Phat Tan, Nguyen, Trang Thuy, Tran, Quang Ngoc, Nguyen, Toan The, Kawazoe, Yoshiyuki, Phan, Thang Bach, Nguyen, Duc Manh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10214002/
https://www.ncbi.nlm.nih.gov/pubmed/37250213
http://dx.doi.org/10.1039/d3ra02650g

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