Coherent transient exciton transport in disordered polaritonic wires

Aroeira, Gustavo J. R.; Kairys, Kyle T.; Ribeiro, Raphael F.

doi:10.1515/nanoph-2023-0797

Cited by 5 publications

(3 citation statements)

References 41 publications

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“…Strong coupling between light and matter has received a lot of interest in the last years due to the prospects for modifying physicochemical properties of such strongly coupled systems. − When the energy exchange rate between photonic modes and optical transitions exceeds the losses in the system, the strong light–matter coupling regime is achieved, and the emergent hybrid light–matter states, polaritons, form. These can give rise to modified properties such as altered solvent polarity or chemical reactivity, enhanced conductivity , or modified emission/relaxation pathways, − to name a few.…”

Section: Introductionmentioning

confidence: 99%

“…1−3 When the energy exchange rate between photonic modes and optical transitions exceeds the losses in the system, the strong light−matter coupling regime is achieved, and the emergent hybrid light−matter states, polaritons, form. These can give rise to modified properties such as altered solvent polarity 4 or chemical reactivity, 5 enhanced conductivity 6,7 or modified emission/relaxation pathways, 8−10 to name a few.…”

Section: ■ Introductionmentioning

confidence: 99%

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Origin of Macroscopic Observables of Strongly Coupled Metal Nanoparticle–Molecule Systems from Microscopic Electronic Properties

Bancerek,

Fojt,

Erhart

et al. 2024

J. Phys. Chem. C

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Strongly coupled light−matter systems are becoming a ubiquitous platform for investigating an increasing number of physical phenomena from modifying charge transport, altered emission, and relaxation pathways to selective or enhanced chemical reactivity. Such systems are investigated across a large length scale from few-nanometer-sized particles to macroscopic cavities encompassing many interacting moieties. Describing these numerous and varied physical systems is attempted in various ways from classical coupled harmonic oscillator models through quantum Hamiltonians to ab initio modeling. Here, by combining time-dependent density functional theory modeling and analysis with macroscopic models, we elucidate the origin of modifications of effective interaction parameters in terms of microscopic changes to the electronic density and Kohn−Sham transitions of the plasmonic particle and its coupled molecular counterpart. Specifically, we demonstrate how the emergence of mixed metal-molecular states and transitions modifies the effective resonances of the underlying plasmon and molecule in the regime of strong coupling and how these changes subsequently lead to the formation of mixed light−matter polaritons.

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Section: Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Origin of Macroscopic Observables of Strongly Coupled Metal Nanoparticle–Molecule Systems from Microscopic Electronic Properties

Bancerek,

Fojt,

Erhart

et al. 2024

J. Phys. Chem. C

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show abstract

“…An appropriate combination of these parameters can result in systems in which the original modes are mixed into new states, so-called polaritons. [1][2][3] Their appearance in the strong coupling regime results in various changes such as enhanced conductivity, 4,5 altered hysteresis and dynamics of phase transitions, 6 modified emission/relaxation pathways, 7,8 as well as altered chemical reactivity 9 or solvent polarity. 10 Transitions in matter can take the form of either electronic transitions such as molecular absorption 11,12 or excitons in semiconductors 13,14 or involve vibrational modes.…”

Section: Introductionmentioning

confidence: 99%

Influence of molecular structure on the coupling strength to a plasmonic nanoparticle and hot carrier generation

Zaier,

Bancerek,

Kluczyk-Korch

et al. 2024

Nanoscale

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One molecule to couple them all: Toward realistic numbers of molecules in multiscale molecular dynamics simulations of exciton-polaritons

Sokolovskii,

Morozov,

Groenhof

2024

The Journal of Chemical Physics

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Collective strong coupling of many molecules to the confined light modes of an optical resonator can influence the photochemistry of these molecules, but the origin of this effect is not yet fully understood. To provide atomistic insights, several approaches have been developed based on quantum chemistry or molecular dynamics methods. However, most of these methods rely on coupling a few molecules (or sometimes only one) to a single cavity mode. To reach the strong coupling regime with such a small number of molecules, much larger vacuum field strengths are employed than in experiments. To keep the vacuum field realistic and avoid potential artefacts, the number of coupled molecules should be significantly increased instead, but that is not always possible due to restrictions on computational hardware and software. To overcome this barrier and model the dynamics of an arbitrarily large ensemble of molecules coupled to realistic cavity fields in atomistic molecular dynamics simulations, we propose to coarse-grain subsets of molecules into one or more effective supermolecules with an enhanced dipole moment and concerted dynamics. To verify the validity of the proposed multiscale model, we performed simulations in which we investigated how the number of molecules that are coupled to the cavity affects excited-state intra-molecular proton transfer, polariton relaxation, and exciton transport.

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Coherent transient exciton transport in disordered polaritonic wires

Cited by 5 publications

References 41 publications

Origin of Macroscopic Observables of Strongly Coupled Metal Nanoparticle–Molecule Systems from Microscopic Electronic Properties

Origin of Macroscopic Observables of Strongly Coupled Metal Nanoparticle–Molecule Systems from Microscopic Electronic Properties

Influence of molecular structure on the coupling strength to a plasmonic nanoparticle and hot carrier generation

One molecule to couple them all: Toward realistic numbers of molecules in multiscale molecular dynamics simulations of exciton-polaritons

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