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pro vyhledávání: '"Gemechis D, Degaga"'
Publikováno v:
Materials, Vol 14, Iss 7, p 1649 (2021)
Vertically stacked, layered van der Waals (vdW) heterostructures offer the possibility to design materials, within a range of chemistries and structures, to possess tailored properties. Inspired by the naturally occurring mineral merelaniite, this pa
Externí odkaz:
https://doaj.org/article/5f7686dfe8c241e0b37c0542b7f81a85
Publikováno v:
RSC Advances. 9:14260-14267
Metal–organic frameworks (MOFs) are porous materials of recent interest due to their promising properties for technological applications. In this paper, the structure–property relationships of pristine and functionalized Zn-BTC (Zn3(BTC)2) MOFs a
Publikováno v:
Materials, Vol 14, Iss 1649, p 1649 (2021)
Materials
Volume 14
Issue 7
Materials
Volume 14
Issue 7
Vertically stacked, layered van der Waals (vdW) heterostructures offer the possibility to design materials, within a range of chemistries and structures, to possess tailored properties. Inspired by the naturally occurring mineral merelaniite, this pa
Autor:
Gemechis D, Degaga, Mikhail, Trought, Slavomir, Nemsak, Ethan J, Crumlin, Max, Seel, Ravindra, Pandey, Kathryn A, Perrine
Publikováno v:
The Journal of chemical physics. 152(5)
Reactions on iron oxide surfaces are prevalent in various chemical processes from heterogeneous catalysts to minerals. Nitrogen (N
Autor:
Gemechis D. Degaga, Loredana Valenzano
Publikováno v:
Chemical Physics Letters. 682:168-174
Periodic boundary condition models are used to investigate the interaction of small hydrocarbons (C2-C4) with MOF-74-Mg/Zn. In contrast to other studies where molecular cluster approaches are used, the complete chemical environment of the framework i
Autor:
Gemechis D. Degaga, Loredana Valenzano
Publikováno v:
Chemical Physics Letters. 660:313-319
Selective sorption of hydrocarbons by tunable sorbents such as metal-organic frameworks is the most promising alternative to traditional cryogenic distillation. Here, density functional theory is used to investigate the selective sorption of C 2 C 4
Autor:
Gemechis D. Degaga, Ravindra Pandey, Max Seel, Ethan J. Crumlin, Kathryn A. Perrine, Slavomír Nemšák, Mikhail Trought
Publikováno v:
The Journal of Chemical Physics. 152:054717
Reactions on iron oxide surfaces are prevalent in various chemical processes from heterogeneous catalysts to minerals. Nitrogen (N2) is known to dissociate on iron surfaces, a precursor for ammonia production in the Haber–Bosch process, where the d
Autor:
Gemechis D. Degaga, Loredana Valenzano
Publikováno v:
Theoretical Chemistry Accounts. 137
Periodic boundary conditions as implemented within a linear combination of atomic orbital approach are applied to determine the infrared spectra of methane, acetylene, ethylene, and ethane in MOF-74-Mg. Intensities and frequency shifts with respect t