A possibility to infer frustrations of supported catalytic clusters from macro-scale observations
Abstract Recent experimental and theoretical studies suggest that dynamic active centres of supported heterogeneous catalysts may, under certain conditions, be frustrated. Such out-of-equilibrium materials are expected to possess unique catalytic properties and also higher level of functionality. Th...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2024-02-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-024-54485-z |
| _version_ | 1797274703153332224 |
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| author | Alexander Korobov |
| author_facet | Alexander Korobov |
| author_sort | Alexander Korobov |
| collection | DOAJ |
| description | Abstract Recent experimental and theoretical studies suggest that dynamic active centres of supported heterogeneous catalysts may, under certain conditions, be frustrated. Such out-of-equilibrium materials are expected to possess unique catalytic properties and also higher level of functionality. The latter is associated with the navigation through the free energy landscapes with energetically close local minima. The lack of common approaches to the study of out-of-equilibrium materials motivates the search for specific ones. This paper suggests a way to infer some valuable information from the interplay between the intensity of reagent supply and regularities of product formation. |
| first_indexed | 2024-03-07T15:02:05Z |
| format | Article |
| id | doaj.art-1ca814160ea140758446c4f309b9f78f |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-03-07T15:02:05Z |
| publishDate | 2024-02-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-1ca814160ea140758446c4f309b9f78f2024-03-05T19:04:05ZengNature PortfolioScientific Reports2045-23222024-02-011411610.1038/s41598-024-54485-zA possibility to infer frustrations of supported catalytic clusters from macro-scale observationsAlexander Korobov0Materials Chemistry Department, V. N. Karazin Kharkiv National UniversityAbstract Recent experimental and theoretical studies suggest that dynamic active centres of supported heterogeneous catalysts may, under certain conditions, be frustrated. Such out-of-equilibrium materials are expected to possess unique catalytic properties and also higher level of functionality. The latter is associated with the navigation through the free energy landscapes with energetically close local minima. The lack of common approaches to the study of out-of-equilibrium materials motivates the search for specific ones. This paper suggests a way to infer some valuable information from the interplay between the intensity of reagent supply and regularities of product formation.https://doi.org/10.1038/s41598-024-54485-z |
| spellingShingle | Alexander Korobov A possibility to infer frustrations of supported catalytic clusters from macro-scale observations Scientific Reports |
| title | A possibility to infer frustrations of supported catalytic clusters from macro-scale observations |
| title_full | A possibility to infer frustrations of supported catalytic clusters from macro-scale observations |
| title_fullStr | A possibility to infer frustrations of supported catalytic clusters from macro-scale observations |
| title_full_unstemmed | A possibility to infer frustrations of supported catalytic clusters from macro-scale observations |
| title_short | A possibility to infer frustrations of supported catalytic clusters from macro-scale observations |
| title_sort | possibility to infer frustrations of supported catalytic clusters from macro scale observations |
| url | https://doi.org/10.1038/s41598-024-54485-z |
| work_keys_str_mv | AT alexanderkorobov apossibilitytoinferfrustrationsofsupportedcatalyticclustersfrommacroscaleobservations AT alexanderkorobov possibilitytoinferfrustrationsofsupportedcatalyticclustersfrommacroscaleobservations |