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Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional Theory
[Image: see text] Transition metal oxide materials have attracted much attention for photoelectrochemical water splitting, but problems remain, e.g. the sluggish transport of excess charge carriers in these materials, which is not well understood. Here we use periodic, spin-constrained and gap-optim...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097473/ https://www.ncbi.nlm.nih.gov/pubmed/35239359 http://dx.doi.org/10.1021/jacs.1c13507 |