Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity
Hybridization of dark optical cavity modes with vibrational states of molecules can alter chemical reactions. Here, the authors use ab-initio methods to shine light on the associated mechanism and highlight the role of the optical mode to redistribute the vibrational energy.
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2022-12-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-022-35363-6 |
| _version_ | 1797977375866093568 |
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| author | Christian Schäfer Johannes Flick Enrico Ronca Prineha Narang Angel Rubio |
| author_facet | Christian Schäfer Johannes Flick Enrico Ronca Prineha Narang Angel Rubio |
| author_sort | Christian Schäfer |
| collection | DOAJ |
| description | Hybridization of dark optical cavity modes with vibrational states of molecules can alter chemical reactions. Here, the authors use ab-initio methods to shine light on the associated mechanism and highlight the role of the optical mode to redistribute the vibrational energy. |
| first_indexed | 2024-04-11T05:06:59Z |
| format | Article |
| id | doaj.art-f02e829e1da9478b8db15009c9585099 |
| institution | Directory Open Access Journal |
| issn | 2041-1723 |
| language | English |
| last_indexed | 2024-04-11T05:06:59Z |
| publishDate | 2022-12-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj.art-f02e829e1da9478b8db15009c95850992022-12-25T12:21:56ZengNature PortfolioNature Communications2041-17232022-12-011311910.1038/s41467-022-35363-6Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivityChristian Schäfer0Johannes Flick1Enrico Ronca2Prineha Narang3Angel Rubio4Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science & Department of PhysicsCenter for Computational Quantum Physics, Flatiron InstituteIstituto per i Processi Chimico Fisici del CNR (IPCF-CNR)John A. Paulson School of Engineering and Applied Sciences, Harvard UniversityMax Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science & Department of PhysicsHybridization of dark optical cavity modes with vibrational states of molecules can alter chemical reactions. Here, the authors use ab-initio methods to shine light on the associated mechanism and highlight the role of the optical mode to redistribute the vibrational energy.https://doi.org/10.1038/s41467-022-35363-6 |
| spellingShingle | Christian Schäfer Johannes Flick Enrico Ronca Prineha Narang Angel Rubio Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity Nature Communications |
| title | Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity |
| title_full | Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity |
| title_fullStr | Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity |
| title_full_unstemmed | Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity |
| title_short | Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity |
| title_sort | shining light on the microscopic resonant mechanism responsible for cavity mediated chemical reactivity |
| url | https://doi.org/10.1038/s41467-022-35363-6 |
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