Mixed metal oxide: A new class of catalyst for methanol activation
| Autor: | Shweta Mehta, Nivedita Kenge, Vipul S. Patil, Siva Prasad Mekala, Kavita Joshi, Sheena Agarwal, Thirumalaiswamy Raja |
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| Rok vydání: | 2020 |
| Předmět: |
Hydrogen bond
Oxide General Physics and Astronomy Charge density 02 engineering and technology Surfaces and Interfaces General Chemistry 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Dissociation (chemistry) 0104 chemical sciences Surfaces Coatings and Films Catalysis chemistry.chemical_compound Crystallography Adsorption chemistry Molecule Methanol 0210 nano-technology |
| Zdroj: | Applied Surface Science. 534:147449 |
| ISSN: | 0169-4332 |
| DOI: | 10.1016/j.apsusc.2020.147449 |
| Popis: | In this work, we propose a mixed metal oxide as a catalyst and demonstrate it’s ability to not only activate the MeOH molecule upon adsorption but also dissociate O H and one of it’s C H bonds. MeOH activation is compared on two prominent facets of ZnAl2O4 viz. (2 2 0) and (3 1 1). While spontaneous O H bond dissociation is observed on both facets, C H bond dissociates only on the (3 1 1) surface. Multiple factors like atomic arrangement and steps on the surface, coordination of surface atoms, and their effective charges have a combined effect on MeOH activation. The (3 1 1) surface offers higher catalytic activity in comparison with (2 2 0) surface. Having a stepped surface, availability of multiple sites, and variation in the charge distribution are some of the reasons for better catalytic performance of (3 1 1) facet. Effect of orientation of MeOH with respect to the surface adds both, information and complexity to the problem. Observations pertinent to understanding this effect are also reported. A detailed analysis of atomic arrangement on the two surfaces provides a rationale as to why MeOH gets dissociated spontaneously on the mixed metal oxide. The promising results reported here opens up a new class of catalyst for research. |
| Databáze: | OpenAIRE |
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