Research output per year
Research output per year
Description
Optimized structures in the VASP POSCAR format for our study 'On the Oxidation State of Single-Atom Re/TiO2 Hydrogenation Catalysts: A Computational Study' are provided in this dataset. It includes different single-atom Re surface species and the important intermediates and transition states for CO2 activation for lower energy Re species.
| Date made available | 17 Sept 2024 |
|---|---|
| Publisher | TU Delft - 4TU.ResearchData |
| Geographical coverage | Delft, Netherlands |
Research output
- 1 Article
-
Oxidation State of Single-Atom Re/TiO2 Hydrogenation Catalysts: A Computational Study
Sreenithya, A., Kolganov, A. A., Yeu, I. W., Risansyauqi, M. H. & Pidko, E. A., 2024, In: ACS Catalysis. 14, 24, p. 18488-18498 11 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile7 Link opens in a new tab Citations (Scopus)39 Downloads (Pure)
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