Anthracene-based semiconductors for organic field-effect transistors

Chen, Mengyun; Yan, Lijia; Zhao, Yang; Murtaza, Imran; Meng, Hong; Huang, Wei

doi:10.1039/c8tc01865k

Cited by 153 publications

(132 citation statements)

References 136 publications

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“…Within the comprehensive review, [31,36] data of >80 n-type OFETs studied in various journals were collected and analyzed for their electronic features and electron mobility. A combination of such materials properties and an efficient data-centric approach would realize regression models of target n-type OFETs properties.…”

Section: Methodsmentioning

confidence: 99%

Machine Learning for Understanding the Relationship between the Charge Transport Mobility and Electronic Energy Levels for n‐Type Organic Field‐Effect Transistors

Lee

2019

Adv Elect Materials

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Organic field‐effect transistors (OFETs) have received considerably more attention than inorganic‐based field‐effect transistors for use in next generation of organic circuits. There are a number of variables, for example, the ordering of the OFETs, their energy levels, and the material used for source/drain electrodes, that influence the magnitude of charge transport mobility. Importantly, a suitable energy level match between highest occupied molecular orbital (HOMO) or lowest unoccupied molecular orbital (LUMO) energy level and work function of the electrodes may have a large influence on the measured mobility. An informatics approach, specifically use of machine learning, is proposed for charge transport mobility prediction. Gradient Boosting and Random Forest regression algorithms are used to model previous experimental datasets and HOMO and LUMO energy levels of n‐type materials are optimized using expected machine‐learning methods. The results reveal that Random Forest model benefits the functional analysis of n‐type OFETs in three ways: 1) it provides better understanding of current n‐type organic materials, 2) it may guide the choice of n‐type organic materials and conducting electrodes, and 3) it measures the tradeoffs between the charge transport mobility and electronic energy levels for n‐type OFETs.

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Section: Methodsmentioning

confidence: 99%

Machine Learning for Understanding the Relationship between the Charge Transport Mobility and Electronic Energy Levels for n‐Type Organic Field‐Effect Transistors

Lee

2019

Adv Elect Materials

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“…In the past years, it has been used in organic effect transistor (OFET), organic light emitting diode (OLED) and other organic photoelectric devices . Benifiting from its strong modifiability, anthracene derivatives were also synthesized and played important roles in the fields of photochemistry, supramolecular chemistry, photobiology and so on . In 2017, it was found that the mixture of FlAnt , a newly synthesized anthracene derivative and its by‐product 2 A exhibited surprisingly white‐light photoluminescence .…”

Section: Introductionmentioning

confidence: 99%

Computational Study on the Charge Transport and Optical Spectra of Anthracene Derivatives in Aggregates

et al. 2020

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A recent experiment [Angew. Chem. Int. Ed. 2017, 56, 722-727] found that a (1 : 9) blend film of two anthracene derivatives, 2fluorenyl-2-anthracene (FlAnt) and 2-anthryl-2-anthracence (2 A), exhibit both efficient white light emission and high hole mobility, thus promising for organic light-emitting transistors (OLETs). Employing quantum chemistry at the polarizable continuum model (PCM) and the quantum mechanics/molecular mechanics (QM/MM) levels, we investigated the excitedstate structures, optical spectra, band structure and the carrier mobility for FlAnt and 2 A from solution to aggregate phases. We suggest using the ratio of intermolecular excitonic coupling J and intramolecular excited state relaxation energy E to judge the bathochromic shift in optical emission in aggregates. For FlAnt, 1 = J/E is calculated to be less than 0.17, a critical value we identified earlier, and the spectra in solution and aggregate phases present quite similar features (blue emission). However, 1 is~0.5 for 2 A systems, and the calculated emission in the aggregate phase exhibits a remarkable bathochromic shift. In addition, the 0-0 emission is strongly suppressed in the herringbone stacking. These observations justify the experimental findings that (i) 2 A is blue emissive in solution but yellowgreen in the aggregate phase, whereas FlAnt is always blue, and (ii) the blend of them show white emission. By using the "quantum nuclear tunneling" model we proposed earlier, we found the hole mobility for FlAnt and 2 A are 0.5 and 4.2 cm 2 V À 1 s À 1 , respectively, indicating both are good hole transport materials.

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“…[17] The smallerm emberso ft he acenef amily have been extensively studieda nd are therefore well known in the literature. [18][19][20][21][22][23][24][25][26][27] Pioneering studies on side-chain-substituted acene derivatives by Anthony et al have extended the range of stable, and therefore, synthetically accessible members of the acenef amily to longerm embers. [8,28,29] Following newer thermo-or photochemical approaches to unsubstituted larger acenes, [30][31][32] startingf rom pentacene,a sw ell as matrix-assisted in situ generation techniquesb yB ettinger et al, [33][34][35][36][37][38] the spectroscopic characterisation of larger acenes, up to undecacene, has also become accessible.…”

Section: Introductionmentioning

confidence: 99%

Low‐Energy Electronic Excitations of N‐Substituted Heteroacene Molecules: Matrix Isolation Spectroscopy in Concert with Quantum‐Chemical Calculations

Thusek

Hoffmann

Hübner

et al. 2019

Chemistry A European J

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N‐Heteropolycycles are attractive as materials in organic electronic devices. However, a detailed understanding of the low‐energy electronic excitation characteristics of these species is still lacking. In this work, the matrix isolation technique is applied to obtain high‐resolution absorbance spectra for a series of tetracene and core‐substituted N‐analogues. The experimental electronic excitation spectra obtained for matrix‐isolated molecules are then analysed with the help of quantum‐chemical calculations. Additional lower energy excitation bands in the spectrum of the core‐substituted N‐derivatives of tetracene could be explained in terms of intensity borrowing from dipole‐forbidden transitions due to Herzberg–Teller vibronic coupling. In the case of tetracene, evidence for the additional formation of London dimers (J aggregates) is found at higher tetracene concentrations in the matrix.

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Anthracene-based semiconductors for organic field-effect transistors

Abstract: A review of materials design strategies and efficient study methods for modeling of anthracene derivatives, with a description of their significant application in light-emitting transistors.

Cited by 153 publications

References 136 publications

Machine Learning for Understanding the Relationship between the Charge Transport Mobility and Electronic Energy Levels for n‐Type Organic Field‐Effect Transistors

Machine Learning for Understanding the Relationship between the Charge Transport Mobility and Electronic Energy Levels for n‐Type Organic Field‐Effect Transistors

Computational Study on the Charge Transport and Optical Spectra of Anthracene Derivatives in Aggregates

Low‐Energy Electronic Excitations of N‐Substituted Heteroacene Molecules: Matrix Isolation Spectroscopy in Concert with Quantum‐Chemical Calculations

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