Effect of rhodium doping for photocatalytic activity of barium titanate
By means of DFT oxygen evolution reaction on Rh-doped BaTiO3 (001) surface has been modeled. Gibbs free energies for each step of the reaction as well as the values of overpotential have been calculated, taking into account the solvation effect. The position of Rh-induces defect energy levels have b...
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| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-02-01
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| Series: | Optical Materials: X |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590147824000949 |
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