Miscibility and carrier transport properties in binary blend system of non-peripherally octa-hexyl-substituted phthalocyanine analogues

Dai, Ning; Nakano, Chika; Ohmori, Masanobu; Itani, Hiromichi; Shimizu, Yo; Fujii, Akihiko

doi:10.1016/j.orgel.2017.02.003

Cited by 10 publications

(12 citation statements)

References 32 publications

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Section: Measurement Of Charge Mobilitymentioning

confidence: 99%

“…Given the requirements listed above, the sample thickness is usually between 1 and 20–30 μm, so that TOF probes macroscopic 3-D drift mobility in the time scale of 10 −7 –10 −4 s, at low charge densities around 10 13 –10 15 cm −3 . This method has been used extensively to measure charge mobility both in smectic [ 25 , 127 ] and in columnar [ 26 , 125 , 128 , 129 ] mesophases.…”

Section: Measurement Of Charge Mobilitymentioning

confidence: 99%

“…Besides triphenylene, other molecular systems were studied in recent years, such as those based on triindole [ 208 , 209 ], phthalocyanine [ 125 , 210 ], thiophene [ 211 , 212 ] and truxenone [ 213 , 214 ] cores, or on particular molecular architectures, such as dendrons [ 174 , 176 , 215 , 216 ]. Nakawa and coworkers reported the study of the mesomorphic and mobility properties of a blend of 1,4,8,11,15,18,22,25-octahexylphthalocyanine (C6PcH2) with its analogue 1,4,8,11,15,18,22,25-octahexyltetrabenzotriazaporphyrin (C6TBTAPH2) [ 125 ]. The interest on DLC blends arises from the evidence that they can improve the properties of optoelectronic devices, such as for example OSC, in which the use of a blend of DLC’s as the active layer led to an improvement of efficiency and short circuit current by about 30% with respect to the cells prepared with a single DCL [ 217 ].…”

Section: Recent Advances In the Study Of Discotic Liquid Crystalsmentioning

confidence: 99%

“…From POM observations, crystal structure analysis and DSC measurements it was inferred that the two compounds are miscible at all concentration in mesophases, while they are not in the crystalline phase. The mobility values are 0.5 cm 2 ·V −1 ·s −1 in the hexagonal discotic phase and 0.2 cm 2 ·V −1 ·s −1 in the crystalline phase [ 125 ].…”

Section: Recent Advances In the Study Of Discotic Liquid Crystalsmentioning

confidence: 99%

Section: Synthetic Developmentsmentioning

confidence: 99%

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Charge Mobility in Discotic Liquid Crystals

Termine

Golemme

2021

IJMS

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Discotic (disk-shaped) molecules or molecular aggregates may form, within a certain temperature range, partially ordered phases, known as discotic liquid crystals, which have been extensively studied in the recent past. On the one hand, this interest was prompted by the fact that they represent models for testing energy and charge transport theories in organic materials. However, their long-range self-assembling properties, potential low cost, ease of processability with a variety of solvents and the relative ease of tailoring their properties via chemical synthesis, drove the attention of researchers also towards the exploitation of their semiconducting properties in organic electronic devices. This review covers recent research on the charge transport properties of discotic mesophases, starting with an introduction to their phase structure, followed by an overview of the models used to describe charge mobility in organic substances in general and in these systems in particular, and by the description of the techniques most commonly used to measure their charge mobility. The reader already familiar or not interested in such details can easily skip these sections and refer to the core section of this work, focusing on the most recent and significant results regarding charge mobility in discotic liquid crystals.

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Section: Measurement Of Charge Mobilitymentioning

confidence: 99%

Section: Measurement Of Charge Mobilitymentioning

confidence: 99%

Section: Recent Advances In the Study Of Discotic Liquid Crystalsmentioning

confidence: 99%

Section: Recent Advances In the Study Of Discotic Liquid Crystalsmentioning

confidence: 99%

Section: Synthetic Developmentsmentioning

confidence: 99%

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Charge Mobility in Discotic Liquid Crystals

Termine

Golemme

2021

IJMS

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Identifying high-mobility tetracene derivatives using a non-adiabatic molecular dynamics approach

et al. 2020

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The search for conductive soft matter materials with significant charge mobility under ambient conditions has been a major priority in organic electronics (OE) research. Alkylated tetracenes are promising cost-effective candidate molecules that can be synthesized using wet chemistry methods, resulting in columnar single crystals with pronounced structural stability at and above room temperature. A remarkable characteristic of these materials is the capability of tuning the tetracene core intracolumnar stacking pattern and the crystal melting point via the side chain length and type modifications. In this study, we examine the performance of a series of alkylated tetracenes as hole conducting materials using a novel atomistic simulation technique that allows us to predict both the charge transport mechanism and mobilities. Our simulations demonstrate that molecular wires of alkylated tetracenes are capable of polaronic hole conduction at room temperature, with mobility values ranging up to 21 cm 2 V À1 s À1 , thus rendering such materials a highly promising choice for flexible OE applications. As regards the charge transfer robustness, two promising tetracene derivatives are identified with the capability of seamless inter-wire polaron delocalization, alleviating possible transfer bottlenecks due to local molecular defects. Our findings suggest that alkylated tetracenes offer an attractive route towards flexible columnar OE materials with unprecedented hole mobilities. † Electronic supplementary information (ESI) available: Description of the FOBSH methodology; systems under study; utilized force field and molecular dynamics simulations details; reorganization energy and charge transfer integral calculations details; classical force field validation results; inverse participation ratio time series for the TMT molecular crystal. See

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Self-assembled discotics as molecular semiconductors

Pal

2023

Chem. Commun.

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Miscibility and carrier transport properties in binary blend system of non-peripherally octa-hexyl-substituted phthalocyanine analogues

Cited by 10 publications

References 32 publications

Charge Mobility in Discotic Liquid Crystals

Charge Mobility in Discotic Liquid Crystals

Identifying high-mobility tetracene derivatives using a non-adiabatic molecular dynamics approach

Self-assembled discotics as molecular semiconductors

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