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Density Functional Tight Binding Theory Approach for the CO(2) Reduction Reaction Paths on Anatase TiO(2) Surfaces
[Image: see text] Herein, we have investigated the CO(2) reduction paths on the (101) anatase TiO(2) surface using an approach based on the density functional tight binding (DFTB) theory. We analyzed the reaction paths for the conversion of carbon dioxide to methane by performing a large number of c...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7557987/ https://www.ncbi.nlm.nih.gov/pubmed/33073106 http://dx.doi.org/10.1021/acsomega.0c03117 |