Combining density functional theory and machine learning for optimization of multicomponent oxide electrocatalysts
Multicomponent metal oxides, such as perovskite oxides, hold promise for use as sustainable alternatives to Ir-, Ru-, and Pt-based electrocatalysts at scale. Perovskites can accommodate a wide variety of elements in their A- and B-sites, enabling tuning of their structural and electronic properties...
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| Format: | Thesis |
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Massachusetts Institute of Technology
2023
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| Online Access: | https://hdl.handle.net/1721.1/147573 |