Frustrations of supported catalytic clusters under operando conditions predicted by a simple lattice model
Abstract The energy landscape with a number of close minima separated by low barriers is a well-known issue in computational heterogeneous catalysis. In the framework of the emerging out-of-equilibrium material science, the navigation through such involved landscapes is associated with the functiona...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2022-10-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-022-21534-4 |