Inverse catalysts: tuning the composition and structure of oxide clusters through the metal support
Abstract Computational modeling of metal–oxide interfaces is challenging due to the large search space of compositions and structures and the complexity of catalyst materials under operating conditions in general. In this work, we develop an efficient structure search workflow to discover chemically...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-01-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-024-01507-z |
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