Modelling amorphous materials via a joint solid-state NMR and X-ray absorption spectroscopy and DFT approach: application to alumina
| Autor: | Angela F. Harper, Steffen P. Emge, Pieter C. M. M. Magusin, Clare P. Grey, Andrew J. Morris |
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| Rok vydání: | 2023 |
| Předmět: | |
| Zdroj: | Chemical Science. 14:1155-1167 |
| ISSN: | 2041-6539 2041-6520 |
| Popis: | A first principles model of amorphous Al2O3 is constructed which reproduces the features of experimental 27Al NMR and Al K-edge XAS spectra on an ALD-deposited sample of amorphous Al2O3. |
| Databáze: | OpenAIRE |
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