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| Main Authors: | , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2509.00779 |
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| _version_ | 1866912562672566272 |
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| author | Kumar, Sachin Ghosh, Pritam Gautam, Gopalakrishnan Sai |
| author_facet | Kumar, Sachin Ghosh, Pritam Gautam, Gopalakrishnan Sai |
| contents | Using density functional theory based calculations, we systematically examine the utility of Sr-M-O and Sr-Ce-M-O perovskites for solar thermochemical water splitting, a promising route for sustainable hydrogen production. Importantly, we identify Sr$_{0.5}$Ce$_{0.5}$MnO$_3$ and Sr$_{0.5}$Ce$_{0.5}$CrO$_3$ to be promising candidates, exhibiting optimal oxygen vacancy formation energy and 0 K thermodynamic stability. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_00779 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | First-principles investigation of Sr-Ce-M-O perovskites for solar thermochemical water splitting Kumar, Sachin Ghosh, Pritam Gautam, Gopalakrishnan Sai Materials Science Using density functional theory based calculations, we systematically examine the utility of Sr-M-O and Sr-Ce-M-O perovskites for solar thermochemical water splitting, a promising route for sustainable hydrogen production. Importantly, we identify Sr$_{0.5}$Ce$_{0.5}$MnO$_3$ and Sr$_{0.5}$Ce$_{0.5}$CrO$_3$ to be promising candidates, exhibiting optimal oxygen vacancy formation energy and 0 K thermodynamic stability. |
| title | First-principles investigation of Sr-Ce-M-O perovskites for solar thermochemical water splitting |
| topic | Materials Science |
| url | https://arxiv.org/abs/2509.00779 |