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pro vyhledávání: '"Schnappinger A"'
The ability to control chemical reactions by coupling organic molecules to confined light in a cavity has recently attracted much attention. While most previous studies have focused on single-mode photonic or plasmonic cavities, here we investigate t
Externí odkaz:
http://arxiv.org/abs/2412.10123
Benzophenone serves as a prototype chromophore for studying the photochemistry of aromatic ketones, with applications ranging from biochemistry to organic light-emitting diodes. In particular, its intersystem crossing from the first singlet excited s
Externí odkaz:
http://arxiv.org/abs/2411.14134
Vibrational polaritons are formed by strong coupling of molecular vibrations and photon modes in an optical cavity. Experiments have demonstrated that vibrational strong coupling can change molecular properties and even affect chemical reactivity. Ho
Externí odkaz:
http://arxiv.org/abs/2410.00494
Autor:
Matselyukh, Danylo T., Rott, Florian, Schnappinger, Thomas, Zhang, Pengju, Li, Zheng, Richardson, Jeremy O., de Vivie-Riedle, Regina, Wörner, Hans Jakob
The transfer of population between two intersecting quantum states is the most fundamental dynamical event that governs a broad variety of processes in physics, chemistry, biology and material science. Whereas any two-state description implies that p
Externí odkaz:
http://arxiv.org/abs/2408.17402
Publikováno v:
J. Phys. Chem. Lett. 2024, 15, 7700
As pioneering experiments have shown, strong vibrational coupling between molecular vibrations and light modes in an optical cavity can significantly alter molecular properties and even affect chemical reactivity. However, the current theoretical des
Externí odkaz:
http://arxiv.org/abs/2405.17246
Publikováno v:
J. Chem. Phys. 161, 044119 (2024)
Strong coupling of organic molecules to the vacuum field of a nanoscale cavity can be used to modify their chemical and physical properties. We extend the Tavis-Cummings model for molecular ensembles and show that the often neglected interaction term
Externí odkaz:
http://arxiv.org/abs/2404.10680
Autor:
Horak, Jacob, Sidler, Dominik, Schnappinger, Thomas, Huang, Wei-Ming, Ruggenthaler, Michael, Rubio, Angel
Despite recent numerical evidence, one of the fundamental theoretical mysteries of polaritonic chemistry is how and if collective strong coupling can induce local changes of the electronic structure to modify chemical properties. Here we present non-
Externí odkaz:
http://arxiv.org/abs/2401.16374
Publikováno v:
J. Chem. Theory Comput. (2023)
Recent experiments have revealed the profound effect of strong light-matter interactions in optical cavities on the electronic ground state of molecular systems. This phenomenon, known as vibrational strong coupling (VSC), can modify reaction rates a
Externí odkaz:
http://arxiv.org/abs/2310.01871
Autor:
Schnappinger, Thomas, Sidler, Dominik, Ruggenthaler, Michael, Rubio, Angel, Kowalewski, Markus
Publikováno v:
J. Phys. Chem. Lett. 2023, 14, 8024 (2023)
Experimental studies indicate that optical cavities can affect chemical reactions, through either vibrational or electronic strong coupling and the quantized cavity modes. However, the current understanding of the interplay between molecules and conf
Externí odkaz:
http://arxiv.org/abs/2307.02208
Autor:
Sidler, Dominik, Schnappinger, Thomas, Obzhirov, Anatoly, Ruggenthaler, Michael, Kowalewski, Markus, Rubio, Angel
Publikováno v:
J. Phys. Chem. Lett. 15, 5208 (2024)
We demonstrate that collective vibrational strong coupling of molecules in thermal equilibrium can give rise to significant local electronic polarizations in the thermodynamic limit. We do so by first showing that the full non-relativistic Pauli-Fier
Externí odkaz:
http://arxiv.org/abs/2306.06004