Experimental Estimate of the Holstein Electron–Phonon Coupling Constants in Perylene

Masino, Matteo; Salzillo, Tommaso; Brillante, Aldo; Valle, Raffaele Guido Della; Venuti, Elisabetta; Girlando, Alberto

doi:10.1002/aelm.202000208

Cited by 5 publications

(5 citation statements)

References 39 publications

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“…For charge transfer complexes-two-component donoracceptor OSCs-it was indeed shown theoretically that the Raman spectroscopy probes electron-phonon interaction. [44][45][46] For one-component OSCs, strictly speaking, the Raman signal is associated with the exciton-phonon interaction. However, an exciton in OSCs is well approximated as a mix of Frenkel (electron and hole at the same molecule) and charge transfer (electron and hole at adjacent molecules) contributions.…”

Section: Theoretical Framework and Model Formulationmentioning

confidence: 99%

Non‐Local Electron‐Phonon Interaction in Naphthalene Diimide Derivatives, its Experimental Probe and Impact on Charge‐Carrier Mobility

Vener

Parashchuk

Kharlanov

et al. 2021

Adv Elect Materials

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Efficient operation of organic electronic devices requires high charge‐carrier mobilities in their active layers, but only several organic semiconductors show confirmed charge‐carrier mobilities exceeding that of amorphous silicon (≈1 cm2 V−1 s−1). Charge transport in high‐mobility organic semiconductor crystals is considerably hindered by non‐local electron‐phonon interaction (NLEPI) transforming dynamic disorder induced by low‐frequency (LF) vibrations into fluctuations of charge transfer integrals. In this work, using two crystals of naphthalene diimide derivatives as an example, LF vibrational modes that strongly modulate the charge transfer integrals are computationally revealed. The importance of the discussed LF modes for limiting the charge‐carrier mobility is justified by analyzing the effect of the dynamic disorder on the charge‐carrier dynamics, estimating the charge‐carrier mobility in the two crystals, and observing quite a good agreement of the latter with the experimental values. Finally, it is shown that the contribution of various modes to the NLEPI correlates with their experimental Raman intensities. As a result, it is suggested that LF Raman spectroscopy can be used for experimental study of NLEPI, which can help with screening organic semiconductors showing high charge‐carrier mobility and promote rational design of such materials.

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Section: Theoretical Framework and Model Formulationmentioning

confidence: 99%

Non‐Local Electron‐Phonon Interaction in Naphthalene Diimide Derivatives, its Experimental Probe and Impact on Charge‐Carrier Mobility

Vener

Parashchuk

Kharlanov

et al. 2021

Adv Elect Materials

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show abstract

“…[6,[42][43][44][45] Raman spectroscopy was previously used for charge transport studies in charge-transfer (CT) complexes of π-conjugated small molecules. In those studies, analysis of (pre-)resonant Raman intensities in the HF and LF ranges was exploited to extract information about local [46][47][48] and non-local [49,50] electron-phonon couplings, respectively. Earlier attempts to associate Raman intensities with the contributions of intramolecular modes to local EPI have also been recently made for one-component OSs.…”

Section: Introductionmentioning

confidence: 99%

Spectroscopic Assessment of Charge‐Carrier Mobility in Crystalline Organic Semiconductors

Kharlanov

Maslennikov

Feldman

et al. 2021

Adv Elect Materials

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ones; only a few OSs show reproducible mobilities exceeding that for amorphous silicon (μ ≈ 1 cm 2 V −1 s −1 ), a workhorse of modern thin-film electronics. [1,2] Moreover, reliable mobility measurements in OSs are difficult and time-consuming. For example, the commonly used measurement method with the use of organic field-effect transistors (OFETs) is complicated by many factors, such as the contacts, the architecture, the dielectric, etc., which results in various artifacts and pitfalls. [3] Therefore, focused search for high-mobility OS materials among a huge number of candidates needs an effective approach to charge-carrier mobility estimation prior to its measurements in devices. Importantly, in the context of such a search, one does not necessarily have to predict a value of μ closely enough to the experimental mobility to be further measured: a mobility estimation characterized with a good correlation with experimental μ values for quite a lot of (but not all) OSs also provides a way toward efficient screening of high-mobility OS materials.Two types of OSs show high charge-carrier mobilities: smallmolecule organic crystals (crystalline OSs) and polymers. In what follows, we will focus on crystalline OSs, whose crystal structures resolved from X-ray diffraction data are needed for Further progress in organic electronics demands new highly efficient organic semiconductor (OS) materials. So far, however, band-like charge transport with high mobilities has been reliably demonstrated only in a few OSs, and development of efficient methods for search of high-mobility materials among a plethora of OSs remains extremely important. In the present work, a spectroscopic method is presented for screening of crystalline OSs with efficient charge transport, to be used prior to time-consuming device measurements. Specifically, the work focuses on a physical rationale and an experimental benchmark of a correlation between the intensities of the low-frequency Raman spectrum and the strength of dynamic disorder limiting the charge-carrier mobility in a material. As a result, two physicsinspired spectroscopic descriptors for charge-carrier mobility estimation are suggested, both of which clearly correlate with device mobilities reported for various crystalline OSs. It is anticipated that the spectroscopic method based on these descriptors can serve as a powerful search tool for revealing new high-mobility OS materials.

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“…However, it has been reported that for mixed stack CT systems Raman spectroscopy is not the best option for the determination of r due to its overestimation because these modes are affected by the electron-phonon (or electron-molecular vibration) coupling. 30,31 Instead, IR modes are more reliable. Again, for CT complexes based on F x TCNQ, the stretching of the CN periferic groups and C-C bonds have been identified to be charge sensitive.…”

Section: Resultsmentioning

confidence: 99%

Charge transfer complexes of a benzothienobenzothiophene derivative and their implementation as active layer in solution-processed thin film organic field-effect transistors

et al. 2022

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Experimental Estimate of the Holstein Electron–Phonon Coupling Constants in Perylene

Cited by 5 publications

References 39 publications

Non‐Local Electron‐Phonon Interaction in Naphthalene Diimide Derivatives, its Experimental Probe and Impact on Charge‐Carrier Mobility

Non‐Local Electron‐Phonon Interaction in Naphthalene Diimide Derivatives, its Experimental Probe and Impact on Charge‐Carrier Mobility

Spectroscopic Assessment of Charge‐Carrier Mobility in Crystalline Organic Semiconductors

Charge transfer complexes of a benzothienobenzothiophene derivative and their implementation as active layer in solution-processed thin film organic field-effect transistors

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