Absorption Spectra of Quantum Aggregates Interacting via Long-Range Forces

Eisfeld, Alexander; Briggs, J S

doi:10.1103/physrevlett.96.113003

Cited by 41 publications

(47 citation statements)

References 18 publications

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“…Alternatively one can seek approximations. In previous work we have shown that the 'coherent exciton scattering' (CES) approximation gives a good reproduction of experimental aggregate spectra [27,28,32,35] and agrees with exact diagonalisation results for a variety of examples [30,31]. In this approximation, the operator g in the second term on the right hand side of Eq.…”

Section: B Inclusion Of Vibronic Couplingsupporting

confidence: 75%

“…We use the "coherent exciton scattering" (CES) approximation generalised to be applicable to aggregates of arbitrary size and geometry. This approach can also take the influence of disorder and and temperature implicitly into account [30]. In a previous publication [31] we have tested the CES approximation by diagonalising Hamiltonians of the type considered here.…”

Section: Introductionmentioning

confidence: 99%

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The influence of geometry on the vibronic spectra of quantum aggregates

Eisfeld

Schulz

Briggs

2011

Journal of Luminescence

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A study is presented of the localisation of excitonic states on extended molecular aggregates composed of identical monomers arising, not from disorder due to statistical energy shifts of the monomers, induced by environmental interactions (Anderson localisation), but rather simply due to changes in the orientation and geometrical arrangement of the transition dipoles. It is shown further that such small changes nevertheless can have a drastic effect on the shape of the vibronic spectrum of the aggregate. The vibronic spectra are calculated using the "coherent exciton scattering" (CES) approximation whose derivation we generalise to be applicable to aggregates of arbitrary size and geometry.

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Section: B Inclusion Of Vibronic Couplingsupporting

confidence: 75%

Section: Introductionmentioning

confidence: 99%

The influence of geometry on the vibronic spectra of quantum aggregates

Eisfeld

Schulz

Briggs

2011

Journal of Luminescence

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“…Approaches to simulate absorption spectra of dimers and aggregates of chromophores have been widely investigated in the literature [1][2][3][4][5][6][7][8][9][10][11][12] and have often been performed in direct connection with experimental results. Moreover, the development of theoretical methods for predicting the spectroscopic properties of dimers, aggregates, and assembly of molecules from first principles calculations remains a contemporary topic, in particular, because such prediction involves several theoretical challenges.…”

Section: Introductionmentioning

confidence: 99%

Multimode simulation of dimer absorption spectra from first principles calculations: Application to the 3,4,9,10-perylenetetracarboxylic diimide dimer

Guthmuller

Zutterman

Champagne

2009

The Journal of Chemical Physics

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First principles calculations based on density functional theory (DFT) have been combined with the multimode vibronic theory of coupled identical monomers to simulate the absorption spectra of dimers. In comparison to our previous study [J. Guthmuller et al., J. Chem. Theory Comput. 4, 2094 (2008)], where the vibrational excitations strictly accompany the electronic excitations, the vibronic model has been generalized so that the vibronic basis set contains vibrational excitations for both the ground and the excited electronic states. As a matter of illustration, this approach has been applied to a perylenetetracarboxylic diimide dimer employing a fixed dimer geometry. The exciton coupling energy is evaluated with time dependent DFT and random phase approximation calculations and by describing the effects of the solvent with the polarizable continuum model. First, the simulated monomer absorption spectrum is found to be in excellent agreement with experiment. Then, the simulated dimer absorption spectrum presents a strong dependency on the exciton coupling energy and on the inclusion of ground state vibrational excitations in the basis set. It is further shown that considering only fundamental vibrational excitations for the ground electronic state provides almost converged spectra and can therefore be used as a good first approximation. Moreover, the comparison with experiment demonstrates that the dimer absorption spectrum can be successfully reproduced by employing the exciton coupling energy determined at the time dependent DFT level provided that the effects of the solvent are included.

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“…A 3.9 nm increase in FWHM can be attributed to the aggregation of QDs. 45 Further, we have demonstrated the capability of BP in fabricating functional luminescent devices in the area of anticounterfeiting technology. 22 Specifically, high-resolution microscale QR codes are desirable for preventing the forging of IC chips.…”

Section: Resultsmentioning

confidence: 91%

High-Resolution Bubble Printing of Quantum Dots

Rajeeva¹,

Lin²,

Perillo³

et al. 2017

ACS Appl. Mater. Interfaces

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Semiconductor quantum dots (QDs) feature excellent properties, such as high quantum efficiency, tunable emission frequency, and good fluorescence stability. Incorporation of QDs into new devices relies upon high-resolution and high-throughput patterning techniques. Herein, we report a new printing technique known as bubble printing (BP), which exploits a light-generated microbubble at the interface of colloidal QD solution and a substrate to directly write QDs into arbitrary patterns. With the uniform plasmonic hot spot distribution for high bubble stability and the optimum light-scanning parameters, we have achieved full-color QD printing with submicron resolution (650 nm), high throughput (scanning rate of ∼10−2 m/s), and high adhesion of the QDs to the substrates. The printing parameters can be optimized to further control the fluorescence properties of the patterned QDs, such as emission wavelength and lifetime. The patterning of QDs on flexible substrates further demonstrates the wide applicability of this new technique. Thus, BP technique addresses the barrier of achieving a widely applicable, high-throughput and user-friendly patterning technique in the submicrometer regime, along with simultaneous fluorescence modification capability.

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Absorption Spectra of Quantum Aggregates Interacting via Long-Range Forces

Cited by 41 publications

References 18 publications

The influence of geometry on the vibronic spectra of quantum aggregates

The influence of geometry on the vibronic spectra of quantum aggregates

Multimode simulation of dimer absorption spectra from first principles calculations: Application to the 3,4,9,10-perylenetetracarboxylic diimide dimer

High-Resolution Bubble Printing of Quantum Dots

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