DFT Study of Heteronuclear (TMFeO<sub>3</sub>)<sub>x</sub> Molecular Clusters (Where TM = Sc, Ti, Fe and x = 2, 4, 8) for Photocatalytic and Photovoltaic Applications
The computational modeling of metal oxide clusters for photovoltaic application is carried out by using density functional theory. The structural and electronic properties of heteronuclear (TMFeO<sub>3</sub>)<sub>x</sub> molecular clusters (where x = 2, 4, 8 and TM = Sc, Ti, Fe) are investigated in...
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| Principais autores: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI AG
2022-10-01
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| coleção: | Energies |
| Assuntos: | |
| Acesso em linha: | https://www.mdpi.com/1996-1073/15/19/7253 |
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