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Journal articles on the topic 'Organic semiconductors Electron mobility'

Author: Grafiati

Published: 4 June 2021

Last updated: 8 February 2022

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1

Sosorev, Andrey, Dmitry Dominskiy, Ivan Chernyshov, and Roman Efremov. "Tuning of Molecular Electrostatic Potential Enables Efficient Charge Transport in Crystalline Azaacenes: A Computational Study." International Journal of Molecular Sciences 21, no. 16 (August 6, 2020): 5654. http://dx.doi.org/10.3390/ijms21165654.

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The chemical versatility of organic semiconductors provides nearly unlimited opportunities for tuning their electronic properties. However, despite decades of research, the relationship between molecular structure, molecular packing and charge mobility in these materials remains poorly understood. This reduces the search for high-mobility organic semiconductors to the inefficient trial-and-error approach. For clarifying the abovementioned relationship, investigations of the effect of small changes in the chemical structure on organic semiconductor properties are particularly important. In this study, we computationally address the impact of the substitution of C-H atom pairs by nitrogen atoms (N-substitution) on the molecular properties, molecular packing and charge mobility of crystalline oligoacenes. We observe that besides decreasing frontier molecular orbital levels, N-substitution dramatically alters molecular electrostatic potential, yielding pronounced electron-rich and electron-deficient areas. These changes in the molecular electrostatic potential strengthen face-to-face and edge-to-edge interactions in the corresponding crystals and result in the crossover from the herringbone packing motif to π-stacking. When the electron-rich and electron-deficient areas are large, sharply defined and, probably, have a certain symmetry, calculated charge mobility increases up to 3–4 cm2V−1s−1. The results obtained highlight the potential of azaacenes for application in organic electronic devices and are expected to facilitate the rational design of organic semiconductors for the steady improvement of organic electronics.

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2

CAMPBELL, I. H., and D. L. SMITH. "ELECTRICAL TRANSPORT IN ORGANIC SEMICONDUCTORS." International Journal of High Speed Electronics and Systems 11, no. 02 (June 2001): 585–615. http://dx.doi.org/10.1142/s0129156401000952.

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Organic semiconductors have processing and performance advantages for low cost and/or large area applications that have led to their rapid commercialization. Organic semiconductors are π conjugated materials, either small molecules or polymers. Their electrical transport properties are fundamentally distinct from those of inorganic semiconductors. Organic semiconductor thin films are amorphous or polycrystalline and their electronic structures consist of a distribution of localized electronic states with different energies. The localized sites are either individual molecules or isolated conjugated segments of a polymer chain. Electrical transport results from carrier hopping between neighboring sites. At room temperature, equilibration between neighboring sites of different energy is fast enough that carrier transport can be described using a mobility picture. Hopping transport in these disordered systems leads to a mobility that can depend strongly on both the electric field and carrier density. This article presents experimental measurements and theoretical analysis of the electrical transport properties of representative organic semiconductors.

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3

Takata, Masashi, Kenichiro Takagi, Takashi Nagase, Takashi Kobayashi, and Hiroyoshi Naito. "Effects of Bimolecular Recombination on Impedance Spectra in Organic Semiconductors: Analytical Approach." Journal of Nanoscience and Nanotechnology 16, no. 4 (April 1, 2016): 3322–26. http://dx.doi.org/10.1166/jnn.2016.12289.

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An analytical expression for impedance spectra in the case of double injection (both electrons and holes are injected into an organic semiconductor thin film) has been derived from the basic transport equations (the current density equation, the continuity equation and the Possion’s equation). Capacitance-frequency characteristics calculated from the analytical expression have been examined at different recombination constants and different values of mobility balance defined by a ratio of electron mobility to hole mobility. Negative capacitance appears when the recombination constant is lower than the Langevin recombination constant and when the value of the mobility balance approaches unity. These results are consistent with the numerical results obtained by a device simulator (Atlas, Silvaco).

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4

Chen, Ming, Jing Li, Xuechen Jiao, Xiaochun Yang, Wenting Wu, Christopher R. McNeill, and Xike Gao. "Enantiopure versus racemic naphthalene diimide-based n-type organic semiconductors: effect on charge transport." Journal of Materials Chemistry C 7, no. 9 (2019): 2659–65. http://dx.doi.org/10.1039/c8tc06273k.

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5

Nguyen, Thao P., and Ji Hoon Shim. "Hydrostatic pressure effect on charge transport properties of phenacene organic semiconductors." Physical Chemistry Chemical Physics 18, no. 20 (2016): 13888–96. http://dx.doi.org/10.1039/c6cp00127k.

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6

Mendil, Nesrine, Mebarka Daoudi, Zakarya Berkai, and Abderrahmane Belghachi. "Charge Carrier Mobility Behavior in the SubPc/C60 Planar Heterojunction." Zeitschrift für Naturforschung A 73, no. 11 (October 25, 2018): 1047–52. http://dx.doi.org/10.1515/zna-2018-0142.

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AbstractStructural arrangement and construction are the keys to electron/hole motion through organic semiconductor lattices. In this work, we focused on the disorder energy, temperature, and electric field effects on charge carrier mobilities using a Poole–Frenkel mobility model for SubPc/C60 devices. The results agree with those found in the literature. We observed important temperature, applied voltage, and disorder energy dependencies of the current-voltage characteristics and charge carrier mobilities; these characteristics have the Gunn curve form called negative conductivity, which has been reported in amorphous semiconductors.

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7

Okamoto, Toshihiro, Shohei Kumagai, Eiji Fukuzaki, Hiroyuki Ishii, Go Watanabe, Naoyuki Niitsu, Tatsuro Annaka, et al. "Robust, high-performance n-type organic semiconductors." Science Advances 6, no. 18 (May 2020): eaaz0632. http://dx.doi.org/10.1126/sciadv.aaz0632.

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Organic semiconductors (OSCs) are important active materials for the fabrication of next-generation organic-based electronics. However, the development of n-type OSCs lags behind that of p-type OSCs in terms of charge-carrier mobility and environmental stability. This is due to the absence of molecular designs that satisfy the requirements. The present study describes the design and synthesis of n-type OSCs based on challenging molecular features involving a π-electron core containing electronegative N atoms and substituents. The unique π-electron system simultaneously reinforces both electronic and structural interactions. The current n-type OSCs exhibit high electron mobilities with high reliability, atmospheric stability, and robustness against environmental and heat stresses and are superior to other existing n-type OSCs. This molecular design represents a rational strategy for the development of high-end organic-based electronics.

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8

Kathirgamanathan, Poopathy, Sivagnanasundram Surendrakumar, Seenivasagam Ravichandran, Muttulingam Kumaraverl, Juan Antipan Lara, Subramaniam Ganeshamurugan, Lisa M. Bushby, Jeremiah P. Tidey, and Alexander J. Blake. "Energy level tuning of blue emitting and electron transporting vinylene bis(vinyl quinolinyl)benzene derivatives: synthesis, characterisation, thin film characterisation and performance in OLEDs." Journal of Materials Chemistry C 3, no. 26 (2015): 6652–67. http://dx.doi.org/10.1039/c5tc00932d.

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Band gap tuning by attaching aromatic and heterocyclic substituents on the vinylene bis(vinylquinolinyl)benzene moiety results in multifunctional organic semiconductors with high thermal stability and electron mobility.

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9

Yang, Ming-Cong, Jun-ichi Hanna, and Hiroaki Iino. "Novel calamitic liquid crystalline organic semiconductors based on electron-deficient dibenzo[c,h][2,6]naphthyridine: synthesis, mesophase, and charge transport properties by the time-of-flight technique." Journal of Materials Chemistry C 7, no. 42 (2019): 13192–202. http://dx.doi.org/10.1039/c9tc03990b.

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10

Joseph, Vellaichamy, Chih-Hsin Yu, Chia-Chi Lin, Wei-Chieh Lien, Hsin-Chia Tsai, Cheng-Shiun Chen, Alfonsina Abat Amelenan Torimtubun, et al. "Quinoidal thioalkyl-substituted bithiophene small molecule semiconductors for n-type organic field effect transistors." Journal of Materials Chemistry C 8, no. 43 (2020): 15450–58. http://dx.doi.org/10.1039/d0tc03808c.

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Solution-processable dicyanomethylene end-capped bithiophene quinoidal organic semiconductors with four inserted thioalkyl side chains exhibit an electron mobility of 0.18 cm² V⁻¹ s⁻¹ with excellent ambient and operational stability.

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11

Torricelli, F., and L. Colalongo. "Unified Mobility Model for Disordered Organic Semiconductors." IEEE Electron Device Letters 30, no. 10 (October 2009): 1048–50. http://dx.doi.org/10.1109/led.2009.2027998.

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12

Kirchartz, Thomas. "Influence of diffusion on space-charge-limited current measurements in organic semiconductors." Beilstein Journal of Nanotechnology 4 (March 11, 2013): 180–88. http://dx.doi.org/10.3762/bjnano.4.18.

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Numerical simulations of current–voltage curves in electron-only devices are used to discuss the influence of charged defects on the information derived from fitting space-charge-limited current models to the data. Charged, acceptor-like defects lead to barriers impeding the flow of electrons in electron-only devices and therefore lead to a reduced current that is similar to the situation where the device has a built-in voltage. This reduced current will lead to an underestimation of the mobilities and an overestimation of characteristic tail slopes if analytical equations are used to analyze the data. Correcting for the barrier created by the charged defects can, however, be a successful way to still be able to obtain reasonably accurate mobility values.

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13

Sch�n, J. H. "New Phenomena in High Mobility Organic Semiconductors." physica status solidi (b) 226, no. 2 (August 2001): 257–70. http://dx.doi.org/10.1002/1521-3951(200108)226:2<257::aid-pssb257>3.0.co;2-c.

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14

Xin, Hanshen, Jing Li, Congwu Ge, Xiaodi Yang, Tianrui Xue, and Xike Gao. "6,6′-Diaryl-substituted biazulene diimides for solution-processable high-performance n-type organic semiconductors." Materials Chemistry Frontiers 2, no. 5 (2018): 975–85. http://dx.doi.org/10.1039/c8qm00047f.

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15

Hosono, Hideo, Junghwan Kim, Yoshitake Toda, Toshio Kamiya, and Satoru Watanabe. "Transparent amorphous oxide semiconductors for organic electronics: Application to inverted OLEDs." Proceedings of the National Academy of Sciences 114, no. 2 (December 27, 2016): 233–38. http://dx.doi.org/10.1073/pnas.1617186114.

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Efficient electron transfer between a cathode and an active organic layer is one key to realizing high-performance organic devices, which require electron injection/transport materials with very low work functions. We developed two wide-bandgap amorphous (a-) oxide semiconductors, a-calcium aluminate electride (a-C12A7:e) and a-zinc silicate (a-ZSO). A-ZSO exhibits a low work function of 3.5 eV and high electron mobility of 1 cm2/(V · s); furthermore, it also forms an ohmic contact with not only conventional cathode materials but also anode materials. A-C12A7:e has an exceptionally low work function of 3.0 eV and is used to enhance the electron injection property from a-ZSO to an emission layer. The inverted electron-only and organic light-emitting diode (OLED) devices fabricated with these two materials exhibit excellent performance compared with the normal type with LiF/Al. This approach provides a solution to the problem of fabricating oxide thin-film transistor-driven OLEDs with both large size and high stability.

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16

Dai, Gaole, Jingjing Chang, Linzhi Jing, and Chunyan Chi. "Diacenopentalene dicarboximides as new n-type organic semiconductors for field-effect transistors." Journal of Materials Chemistry C 4, no. 37 (2016): 8758–64. http://dx.doi.org/10.1039/c6tc02601j.

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Two diacenopentalene dicarboximides were synthesized, and their devices made with solution-processing technique exhibited n-type field-effect transistor behavior with electron mobility of up to 0.06 cm² V⁻¹ s⁻¹.

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17

Wei, Hui-Ling, and Yu-Fang Liu. "Theoretical investigation on electron mobility properties of anthracenedicarboximide derivatives basedn-type organic semiconductors." Journal of Physics D: Applied Physics 48, no. 1 (December 8, 2014): 015104. http://dx.doi.org/10.1088/0022-3727/48/1/015104.

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18

Ie, Yutaka, Yoshikazu Umemoto, Masashi Nitani, and Yoshio Aso. "Perfluoroalkyl-annelated conjugated systems toward n-type organic semiconductors." Pure and Applied Chemistry 80, no. 3 (January 1, 2008): 589–97. http://dx.doi.org/10.1351/pac200880030589.

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The syntheses of perfluoroalkyl-annelated conjugated units: hexafluorocyclopenta[c]thiophene, 4,4-difluoro-4H-cyclopenta[2,1-b:3,4-b']dithiophene, and 6,6,12,12-tetrafluoroindeno[3,2-b]fluorine, and these-containing oligomers have been accomplished. The annelation of the perfluoroalkyl groups effectively lowers the lowest unoccupied molecular orbitral (LUMO) energy levels without disrupting the effective conjugation of the backbones, which was unambiguously clarified by spectroscopic and electrochemical measurements as well as X-ray analysis. The perfluoroalkyl-annelated oligothiophenes exhibited n-type semiconducting behavior with field-effect electron mobility up to 0.018 cm2 V-1 s-1.

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19

Yin, Jun, Kadali Chaitanya, and Xue-Hai Ju. "Theoretical investigations of charge carrier transport in organic semiconductors of naphthalene bisimides N-substituted with alkoxyphenyl groups." Canadian Journal of Chemistry 93, no. 7 (July 2015): 740–48. http://dx.doi.org/10.1139/cjc-2014-0569.

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Three novel alkoxyphenyl N-substituted naphthalene bisimide derivatives, N,N′-bis(4-n-butoxyphenyl)-1,8:4,5-naphthalenetetracarboxylic (NBI1), N,N′-bis(4-n-hexyloxyphenyl)-1,8:4,5-naphthalenetetracarboxylic (NBI2), and N,N′-bis(4-n-octyloxyphenyl)-1,8:4,5-naphthalenetetracarboxylic (NBI3) as potential organic semiconductors, have been investigated using density functional theory calculations coupled with the incoherent charge-hopping model at the molecular and crystal levels. The calculated results demonstrate that the low-lying and delocalized LUMOs and larger adiabatic electron affinities of these compounds are beneficial to their stability when acting as n-type organic semiconductors. The reorganization energy and transfer integral can significantly influence the charge carrier mobility. The compounds featured with the small reorganization energy and large transfer integral have relatively high charge mobilities. The electron coupling among the dominant hopping pathways indicates that the charge-transport processes happen in the parallel dimer of neighboring molecules with π–π interaction. The investigation of the angle dependence of charge carrier mobility showed that both NBI1 and NBI3 crystals exhibit remarkable anisotropic charge transporting behaviors. The calculated absorption spectra by the time-dependent density functional theory revealed that the strongest absorption peaks in the visible region are assigned to the π → π* transition and these peaks are regulated by the transitions of HOMO → LUMO. The calculated electron mobilities of NBI1, NBI2, and NBI3 are 0.0365, 0.0312, and 0.0801 cm2 V–1 s–1, respectively, indicating that these compounds are suitable for n-type organic semiconductors.

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20

Arkhipov, V. I., P. Heremans, E. V. Emelianova, G. J. Adriaenssens, and H. Bässler. "Charge carrier mobility in doped disordered organic semiconductors." Journal of Non-Crystalline Solids 338-340 (June 2004): 603–6. http://dx.doi.org/10.1016/j.jnoncrysol.2004.03.051.

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21

Love, John A., Markus Feuerstein, Christian M. Wolff, Antonio Facchetti, and Dieter Neher. "Lead Halide Perovskites as Charge Generation Layers for Electron Mobility Measurement in Organic Semiconductors." ACS Applied Materials & Interfaces 9, no. 48 (November 17, 2017): 42011–19. http://dx.doi.org/10.1021/acsami.7b10361.

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22

Guo, Ronghua, Lijuan Zhang, Yuexing Zhang, Yongzhong Bian, and Jianzhuang Jiang. "Charge transfer properties of phthalocyaninato zinc complexes for organic field-effect transistors: tuning semiconductor nature via peripheral substituents." Journal of Porphyrins and Phthalocyanines 15, no. 09n10 (September 2011): 964–72. http://dx.doi.org/10.1142/s1088424611003938.

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Density functional theory (DFT) calculations were carried out to investigate the semiconductor performance of a series of phthalocyaninato zinc complexes, namely Zn[Pc(β-OCH3)8] (1), ZnPc (2), and Zn[Pc(β-COOCH3)8] (3) {[ Pc(β-OCH3)8]2- = dianion of 2,3,9,10,16,17,23,24-octamethoxyphthalocyanine; Pc2- = dianion of phthalocyanine; [ Pc(β-COOCH3)8]2- = dianion of 2,3,9,10,16,17,23,24-octamethoxycarbonylphthalocyanine} for organic field effect transistor (OFET). The effect of peripheral substituents on tuning the nature of phthalocyaninato zinc semiconductor has been clearly revealed. Introduction of eight weak electron-donating methoxy groups onto the peripheral positions of ZnPc (2) leads to a decrease in the hole injection barrier relative to Au electrode and an increase in the electron injection barrier, making compound 1 a better p-type semiconductor material in comparison with 2. In contrast, peripheral methoxycarbonyl substitution depresses the energy level of LUMO and thus induces an increase for the electron affinity (EA) value of ZnPc (2), resulting in the change of semiconductor nature from p-type for ZnPc (2) to n-type for Zn[Pc(β-COOCH3)8] (3) due to the improved electron injection ability. The calculated charge transfer mobility for hole is 1.05 cm2.V-1.s-1 for 1 and 5.33 cm2.V-1.s-1 for 2, while that for electron is 0.16 cm2.V-1.s-1 for 3. The present work should be helpful for designing and preparing novel phthalocyanine semiconductors in particular with good n-type OFET performance.

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23

Deng, Yunfeng, Bin Sun, Jesse Quinn, Yinghui He, Jackson Ellard, Chang Guo, and Yuning Li. "Thiophene-S,S-dioxidized indophenines as high performance n-type organic semiconductors for thin film transistors." RSC Advances 6, no. 51 (2016): 45410–18. http://dx.doi.org/10.1039/c6ra06316k.

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Three thiophene-S,S-dioxidized indophenines with deep frontier energy levels are synthesized from isatins and thiophene, which exhibit n-type semiconductor performance with high electron mobility of up to 0.11 cm² V⁻¹ s⁻¹ in thin film transistors.

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24

Sosorev, A. Yu, D. R. Maslennikov, I. Yu Chernyshov, D. I. Dominskiy, V. V. Bruevich, M. V. Vener, and D. Yu Paraschuk. "Relationship between electron–phonon interaction and low-frequency Raman anisotropy in high-mobility organic semiconductors." Physical Chemistry Chemical Physics 20, no. 28 (2018): 18912–18. http://dx.doi.org/10.1039/c8cp03232g.

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25

Pickett, Alec, Aiswarya A. Mohapatra, Suman Ray, Christopher Robledo, Kartik Ghosh, Satish Patil, and Suchismita Guha. "Interfacial Effects of UV-Ozone Treated Sol-Gel Processable ZnO for Hybrid Photodetectors and Thin Film Transistors." MRS Advances 4, no. 31-32 (2019): 1793–800. http://dx.doi.org/10.1557/adv.2019.298.

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ABSTRACTHybrid organic-inorganic semiconducting interfaces have attracted attention in photodiodes and field-effect transistors (FETs) due to the realization of intrinsic p-n junctions and their mechanical flexibility. With the difficulty of developing high-mobility n-type organic semiconductors due to the necessity of low LUMO levels and ambient environment stability, solution processable inorganic materials are an excellent alternative. ZnO is an intrinsic n-type semiconductor which is non-toxic and sol-gel processable, creating avenues for film patterning and fully solution processed devices. We report the improvement of electron mobilities in ZnO FETs through simple UV-Ozone processing which reduces lattice defects within the film and at the SiO2/ZnO interface. Treated ZnO films yield electron mobilities close to 10-2 cm2/Vs and on/off current ratios of 104 while non-treated films have mobilities on the order of 10-5 cm2/Vs and an order of magnitude lower on/off current ratios. Treated films also yield improved photoresponsivity and detectivity in hybrid ZnO-organic photodetectors.

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26

Coakley, Kevin M., Yuxiang Liu, Chiatzun Goh, and Michael D. McGehee. "Ordered Organic–Inorganic Bulk Heterojunction Photovoltaic Cells." MRS Bulletin 30, no. 1 (January 2005): 37–40. http://dx.doi.org/10.1557/mrs2005.7.

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AbstractFabrication of bulk heterojunctions with well-ordered arrays of organic and inorganic semiconductors is a promising route to increasing the efficiency of polymer photovoltaic cells. In such structures, almost all excitons formed are close enough to the organic–inorganic interface to be dissociated by electron transfer, all charge carriers have an uninterrupted pathway to the electrodes, and polymer chains are aligned to increase their charge carrier mobility. Furthermore, ordered structures are interesting because they are relatively easy to model. Studies of ordered cells are likely to lead to better design rules for making efficient photovoltaic cells.

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Blakesley, James C., Fernando A. Castro, William Kylberg, George F. A. Dibb, Caroline Arantes, Rogério Valaski, Marco Cremona, Jong Soo Kim, and Ji-Seon Kim. "Towards reliable charge-mobility benchmark measurements for organic semiconductors." Organic Electronics 15, no. 6 (June 2014): 1263–72. http://dx.doi.org/10.1016/j.orgel.2014.02.008.

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28

Hathwar, Venkatesha, Mads Jørgensen, Mattia Sist, Jacob Overgaard, Bo Iversen, Xiaoping Wang, Christina Hoffmann, and Alejandro Briseno. "Material Design Inputs from Charge Density Analysis in Organic Semiconductors." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1552. http://dx.doi.org/10.1107/s2053273314084472.

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In recent years, semiconducting organic materials have attracted a considerable amount of interest to develop all-organic or hybrid organic-inorganic electronic devices such as organic light-emitting diodes (OLEDs), organic field-effect transistors (OFETs), or photovoltaic cells. Rubrene (5,6,11,12-tetraphenyltetracene, RUB) is one of the most explored compound in this area as it has nearly 100% fluorescence quantum efficiency in solution. Additionally, the OFET fabricated by vacuum-deposited using orthorhombic rubrene single crystals show p-type characteristics with high mobility up to 20cm2/Vs (Podzorov et al., 2004). The large charge-carrier mobilities measured have been attributed to the packing motif (Fig a) which provides enough spatial overlap of the π-conjugated tetracene backbone. In the same time, RUB undergoes an oxidation in the presence of light to form rubrene endoperoxide (RUB-OX) (Fumagalli et al., 2011). RUB-OX molecules show electronic and structural properties strikingly different from those of RUB, mainly due to the disruption in the conjugate stacking of tetracene moieties. The significant semiconducting property of RUB is not clear yet. In this context, high resolution single crystal X-ray data of RUB (Fig b) and RUB-OX have been collected at 100K. Owing to the presence of weak aromatic stacking and quadrupolar interactions, the neutron single crystal data is also collected at 100K. The C-H bond distances and scaled anisotropic displacement parameters (ADP) of hydrogens from the neutron experiment are used in the multipolar refinements of electron density. The chemical bonding features (Fig c), the topology of electron density and strength of weak interaction are calculated by the Atoms in Molecules (AIM) theory (Bader, 1990). It is further supported by the source function description and mapping of non-covalent interactions based on the electron density. The detailed comparison of two organic semiconductors, RUB and RUB-OX will be discussed.

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Li, Ling, Gregor Meller, and Hans Kosina. "Carrier concentration dependence of the mobility in organic semiconductors." Synthetic Metals 157, no. 4-5 (March 2007): 243–46. http://dx.doi.org/10.1016/j.synthmet.2007.03.002.

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30

Ma, Huipeng, Shuo Chai, Dengyi Chen, and Jin-Dou Huang. "Charge-transport properties of 4-(1,2,2-triphenylvinyl)aniline salicylaldehyde hydrazone: tight-packing induced molecular `hardening'." IUCrJ 4, no. 5 (September 1, 2017): 695–99. http://dx.doi.org/10.1107/s2052252517010685.

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Based on first-principles calculations, the relationship between molecular packing and charge-transport parameters has been investigated and analysed in detail. It is found that the crystal packing forces in the flexible organic molecule 4-(1,2,2-triphenylvinyl)aniline salicylaldehyde hydrazone (A) can apparently overcome the dynamic intramolecular rotations and the intramolecular steric repulsion, effectively enhancing the molecular rigidity and decreasing the internal reorganization energy. The conducting properties ofAhave also been simulated within the framework of hopping models, and the calculation results show that the intrinsic electron mobility inAis much higher than the corresponding intrinsic hole mobility. These theoretical investigations provide guidance for the efficient and targeted control of the molecular packing and charge-transport properties of organic small-molecule semiconductors and conjugated polymeric materials.

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Hsu, Julia W. P., and Matthew T. Lloyd. "Organic/Inorganic Hybrids for Solar Energy Generation." MRS Bulletin 35, no. 6 (June 2010): 422–28. http://dx.doi.org/10.1557/mrs2010.579.

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AbstractOrganic and hybrid (organic/inorganic) solar cells are an attractive alternative to traditional silicon-based photovoltaics due to low-temperature, solution-based processing and the potential for rapid, easily scalable manufacturing. Using oxide semiconductors, instead of fullerenes, as the electron acceptor and transporter in hybrid solar cells has the added advantages of better environmental stability, higher electron mobility, and the ability to engineer interfacial band offsets and hence the photovoltage. Further improvements to this structure can be made by using metal oxide nanostructures to increase heterojunction areas, similar to bulk heterojunction organic photovoltaics. However, compared to all-organic solar cells, these hybrid devices produce far lower photocurrent, making improvement of the photocurrent the highest priority. This points to a less than optimized polymer/metal oxide interface for carrier separation. In this article, we summarize recent work on examining the polymer structure, electron transfer, and recombination at the polythiophene-ZnO interface in hybrid solar cells. Additionally, the impact of chemical modification at the donor-acceptor interface on the device characteristics is reviewed.

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Convertino, Clarissa, Cezar Zota, Heinz Schmid, Daniele Caimi, Marilyne Sousa, Kirsten Moselund, and Lukas Czornomaz. "InGaAs FinFETs Directly Integrated on Silicon by Selective Growth in Oxide Cavities." Materials 12, no. 1 (December 27, 2018): 87. http://dx.doi.org/10.3390/ma12010087.

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III-V semiconductors are being considered as promising candidates to replace silicon channel for low-power logic and RF applications in advanced technology nodes. InGaAs is particularly suitable as the channel material in n-type metal-oxide-semiconductor field-effect transistors (MOSFETs), due to its high electron mobility. In the present work, we report on InGaAs FinFETs monolithically integrated on silicon substrates. The InGaAs channels are created by metal–organic chemical vapor deposition (MOCVD) epitaxial growth within oxide cavities, a technique referred to as template-assisted selective epitaxy (TASE), which allows for the local integration of different III-V semiconductors on silicon. FinFETs with a gate length down to 20nm are fabricated based on a CMOS-compatible replacement-metal-gate process flow. This includes self-aligned source-drain n+ InGaAs regrown contacts as well as 4 nm source-drain spacers for gate-contacts isolation. The InGaAs material was examined by scanning transmission electron microscopy (STEM) and the epitaxial structures showed good crystal quality. Furthermore, we demonstrate a controlled InGaAs digital etching process to create doped extensions underneath the source-drain spacer regions. We report a device with gate length of 90 nm and fin width of 40 nm showing on-current of 100 µA/µm and subthreshold slope of about 85 mV/dec.

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33

Yin, Jun, Kadali Chaitanya, and Xue-Hai Ju. "Theoretical design of benzo[1,2-b:3,4-b′:5,6-b′′]tristhianaphthene and its derivatives as high performance organic semiconductors." Journal of Theoretical and Computational Chemistry 14, no. 07 (November 2015): 1550058. http://dx.doi.org/10.1142/s0219633615500583.

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In order to probe the effects of substituents (F and CN) attached to benzo[1,2-b:3,4-[Formula: see text]:5,6-[Formula: see text]]tristhianaphthene (BTTP) on their charge carrier transport properties, we investigated the characteristics of molecular structures and charge transport properties of BTTP and its derivatives (BTTP1, BTTP2, BTTP3, BTTP4, and BTTP5). Six crystal structures were predicted by the Monte Carlo-simulated annealing method with the embedded electrostatic potential charges method. Even a subtle change of geometrical structures may result in a great change of the reorganization energy. With increasing numbers of substituted fluorine atoms, the reorganization energy of the BTTP derivative increases, which is disadvantageous to the electron transport. In contrast, the attachment of the electron-withdrawing cyano groups to BTTP decreases the reorganization energy and raises the electron affinity, which is beneficial to electron injection and charge carrier stabilization. The introduction of cyano groups also results in an enhancement of [Formula: see text]–[Formula: see text] interaction and leads to an increase in the transfer integrals. Among the six compounds, the novel compound BTTP4 has the largest electron mobility (1.154[Formula: see text]cm[Formula: see text]) on account of its larger transfer integral and smaller reorganization energy, indicating that BTTP4 is a promising high-performance n-type organic semiconductor and worth to synthesize. The analysis of angular-resolution anisotropic mobilities for the BTTP and BTTP4 shows that it is helpful to control the orientations of the conducting channels for a better charge transport efficiency. This work provides a rational strategy for the design of high-performance n-type organic semiconductors from molecule to crystal structure.

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34

Wang, Yuanyuan, Qiuliu Huang, Zhiqiang Liu, and Hongxiang Li. "Thiazolothiazole-Containing Ambipolar Organic Semiconductor with Balanced Hole and Electron Mobility." Asian Journal of Organic Chemistry 3, no. 2 (November 21, 2013): 134–39. http://dx.doi.org/10.1002/ajoc.201300184.

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35

Katz, H. E., A. J. Lovinger, J. Johnson, C. Kloc, T. Siegrist, W. Li, Y. Y. Lin, and A. Dodabalapur. "A soluble and air-stable organic semiconductor with high electron mobility." Nature 404, no. 6777 (March 2000): 478–81. http://dx.doi.org/10.1038/35006603.

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36

Chen, Ziran, Yuan Li, Zhanrong He, Youhui Xu, and Wenhao Yu. "Theoretical investigations on charge transport properties of tetrabenzo[a,d,j,m]coronene derivatives using different density functional theory functionals (B3LYP, M06-2X, and wB97XD)." Journal of Chemical Research 43, no. 7-8 (July 2019): 293–303. http://dx.doi.org/10.1177/1747519819861626.

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Charge transport rate is one of the key parameters determining the performance of organic electronic devices. Based on density functional theory, exchange-correlation functionals which adequately account for non-covalent interactions, such as M06-2X and wB97XD, should significantly improve the accuracy of charge transport rate calculations for large systems with non-covalent interactions. In this work, the B3LYP hybrid functional, the variant hybrid functional M06-2X, and the long-range-corrected wB97XD functional were used to perform geometry optimizations and charge transport rate calculations on 11 variants of tetrabenzo[ a,d,j,m]coronene, including tetrabenzo[ a,d,j,m]coronene itself and its tetra-substituted and octa-substituted derivatives. Our results indicate that the molecular geometries of these benzocoronene semiconductors are large quasi-planar conjugated π systems, and the incorporation of different substituents significantly affects their frontier molecular orbitals. The hole carrier mobility ( µ+) and electron carrier mobility ( µ−) of the methoxy-substituted derivatives (TBC(OCH3)4 and TBC(OCH3)8) were relatively low. The results of the tetrabenzo[ a,d,j,m]coronene molecules studied were consistent with using the aforementioned M06-2X, wB97XD, and B3LYP methods. We found that the octa-substituted derivatives (TBCF8, TBCCl8, TBC(CH3)8, and TBC(CN)8) could be used as p-type organic semiconductor materials.

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37

Magri, Andrea, Pascal Friederich, Bernhard Schäfer, Valeria Fattori, Xiangnan Sun, Timo Strunk, Velimir Meded, Luis E. Hueso, Wolfgang Wenzel, and Mario Ruben. "Charge carrier mobility and electronic properties of Al(Op)3: impact of excimer formation." Beilstein Journal of Nanotechnology 6 (May 5, 2015): 1107–15. http://dx.doi.org/10.3762/bjnano.6.112.

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We have studied the electronic properties and the charge carrier mobility of the organic semiconductor tris(1-oxo-1H-phenalen-9-olate)aluminium(III) (Al(Op)3) both experimentally and theoretically. We experimentally estimated the HOMO and LUMO energy levels to be −5.93 and −3.26 eV, respectively, which were close to the corresponding calculated values. Al(Op)3 was successfully evaporated onto quartz substrates and was clearly identified in the absorption spectra of both the solution and the thin film. A structured steady state fluorescence emission was detected in solution, whereas a broad, red-shifted emission was observed in the thin film. This indicates the formation of excimers in the solid state, which is crucial for the transport properties. The incorporation of Al(Op)3 into organic thin film transistors (TFTs) was performed in order to measure the charge carrier mobility. The experimental setup detected no electron mobility, while a hole mobility between 0.6 × 10−6 and 2.1 × 10−6 cm2·V−1·s−1 was measured. Theoretical simulations, on the other hand, predicted an electron mobility of 9.5 × 10−6 cm2·V−1·s−1 and a hole mobility of 1.4 × 10−4 cm2·V−1·s−1. The theoretical simulation for the hole mobility predicted an approximately one order of magnitude higher hole mobility than was observed in the experiment, which is considered to be in good agreement. The result for the electron mobility was, on the other hand, unexpected, as both the calculated electron mobility and chemical common sense (based on the capability of extended aromatic structures to efficiently accept and delocalize additional electrons) suggest more robust electron charge transport properties. This discrepancy is explained by the excimer formation, whose inclusion in the multiscale simulation workflow is expected to bring the theoretical simulation and experiment into agreement.

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38

Ribeiro, Luiz Antonio, and Sven Stafström. "Impact of the electron–phonon coupling symmetry on the polaron stability and mobility in organic molecular semiconductors." Physical Chemistry Chemical Physics 18, no. 3 (2016): 1386–91. http://dx.doi.org/10.1039/c5cp06577a.

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39

Sonar, Prashant, Samarendra P. Singh, Ting Ting Lin, and Ananth Dodabalapur. "Dithienylbenzothiadiazole-Based Donor-Acceptor Organic Semiconductors and Effect of End Capping Groups on Organic Field Effect Transistor Performance." Australian Journal of Chemistry 66, no. 3 (2013): 370. http://dx.doi.org/10.1071/ch12421.

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Donor-Acceptor-Donor (D-A-D) based conjugated molecules 4,7-bis(5-(4-butoxyphenyl)thiophen-2-yl)benzo[c][1,2,5]thiadiazole (BOP-TBT) and 4,7-bis(5-(4-trifluoromethyl)phenyl)thiophen-2-yl)benzo[c][1,2,5]thiadiazole (TFP-TBT) using thiophene-benzothiadiazole-thiophene central core with trifluoromethyl phenyl and butoxyphenyl end capping groups were designed and synthesised via Suzuki coupling. Optical, electrochemical, thermal, and organic field effect transistor (OFET) device properties of BOP-TBT and TFP-TBT were investigated. Both small molecules possess two absorption bands. Optical band gaps were calculated from the absorption cut off to be in the range of 2.06–2.25 eV. Cyclic voltammetry indicated reversible oxidation and reduction processes and the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energy levels were calculated to be in the range of 5.15–5.40 eV and 3.25–3.62 eV, respectively. Upon testing both materials for OFET, trifluoromethylphenyl end capped material (TFP-TBT) shows n-channel behaviour whereas butoxyphenyl end capped material (BOP-TBT) shows p-channel behaviour. Density functional theory calculations correlated with shifting of HOMO-LUMO energy levels with respect to end capping groups. Vacuum processed OFET of these materials have shown highest hole carrier mobility of 0.02 cm2/Vs and electron carrier mobility of 0.004 cm2/Vs, respectively using Si/SiO2 substrate. By keeping the central D-A-D segment and just by tuning end capping groups gives both p- and n-channel organic semiconductors which can be prepared in a single step using straightforward synthesis.

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Friederich, Pascal, Verónica Gómez, Christian Sprau, Velimir Meded, Timo Strunk, Michael Jenne, Andrea Magri, et al. "Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility." Advanced Materials 29, no. 43 (October 9, 2017): 1703505. http://dx.doi.org/10.1002/adma.201703505.

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41

Yu, Yingjian, Changshuai Dong, Abdullah F. Alahmadi, Bin Meng, Jun Liu, Frieder Jäkle, and Lixiang Wang. "A p-π* conjugated triarylborane as an alcohol-processable n-type semiconductor for organic optoelectronic devices." Journal of Materials Chemistry C 7, no. 24 (2019): 7427–32. http://dx.doi.org/10.1039/c9tc01562k.

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A new n-type p-π* conjugated organic molecule based on triarylborane shows unique alcohol-solubility even in the absence of polar side chains. With its low-lying LUMO/HOMO energy levels and high electron mobility, the molecule can be used as electron acceptor in eco-friendly alcohol-processed organic solar cells.

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42

Kwok, H., Y. L. Wu, and T. P. Sun. "Investigation into the modelling of field-effect carrier mobility in disordered organic semiconductors." IEE Proceedings - Circuits, Devices and Systems 153, no. 2 (2006): 124. http://dx.doi.org/10.1049/ip-cds:20045158.

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43

Zhou, Su-Qin, Qi-Ying Xia, Meng Liang, and Xue-Hai Ju. "Study on charge mobility of hexathiapentacene and its selenium analogs." Journal of the Serbian Chemical Society, no. 00 (2020): 45. http://dx.doi.org/10.2298/jsc200511045z.

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The relationship between molecular geometries, crystal structures and charge mobilities of hexathiapentacene (HTP) and its three derivatives (2Se-HTP, 4Se-HTP, 6Se-HTP) were studied with density functional theory combined with hopping mechanism in the molecular and crystal level. The effect of Se substitution on the charge mobility was discussed. The calculated results showed that the derivatives exhibit good planarity and the molecular geometries have little variation during the charge transfer process. The electron mobility is 1.20 cm2 V?1 S?1 for HTP and 2.30 cm2 V?1 S?1 for 6Se-HTP, which are much larger than the corresponding hole ones, indicating that HTP and 6Se-HTP are good candidates for n-type organic semiconductor. However, 2Se-HTP and 4Se-HTP have comparable hole and electron mobilities and are suitable for ambipolar semiconductor.

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44

Li, Jian V., Alexandre M. Nardes, Ziqi Liang, Sean E. Shaheen, Brian A. Gregg, and Dean H. Levi. "Simultaneous measurement of carrier density and mobility of organic semiconductors using capacitance techniques." Organic Electronics 12, no. 11 (November 2011): 1879–85. http://dx.doi.org/10.1016/j.orgel.2011.08.002.

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45

Ma, Suqian, Ke Zhou, Mengxiao Hu, Qingyuan Li, Yingjie Liu, Hantang Zhang, Jiangbo Jing, et al. "Integrating Efficient Optical Gain in High-Mobility Organic Semiconductors for Multifunctional Optoelectronic Applications." Advanced Functional Materials 28, no. 36 (July 23, 2018): 1802454. http://dx.doi.org/10.1002/adfm.201802454.

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46

Ray, Biswajit, Aditya G. Baradwaj, Mohammad Ryyan Khan, Bryan W. Boudouris, and Muhammad Ashraful Alam. "Collection-limited theory interprets the extraordinary response of single semiconductor organic solar cells." Proceedings of the National Academy of Sciences 112, no. 36 (August 19, 2015): 11193–98. http://dx.doi.org/10.1073/pnas.1506699112.

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The bulk heterojunction (BHJ) organic photovoltaic (OPV) architecture has dominated the literature due to its ability to be implemented in devices with relatively high efficiency values. However, a simpler device architecture based on a single organic semiconductor (SS-OPV) offers several advantages: it obviates the need to control the highly system-dependent nanoscale BHJ morphology, and therefore, would allow the use of broader range of organic semiconductors. Unfortunately, the photocurrent in standard SS-OPV devices is typically very low, which generally is attributed to inefficient charge separation of the photogenerated excitons. Here we show that the short-circuit current density from SS-OPV devices can be enhanced significantly (∼100-fold) through the use of inverted device configurations, relative to a standard OPV device architecture. This result suggests that charge generation may not be the performance bottleneck in OPV device operation. Instead, poor charge collection, caused by defect-induced electric field screening, is most likely the primary performance bottleneck in regular-geometry SS-OPV cells. We justify this hypothesis by: (i) detailed numerical simulations, (ii) electrical characterization experiments of functional SS-OPV devices using multiple polymers as active layer materials, and (iii) impedance spectroscopy measurements. Furthermore, we show that the collection-limited photocurrent theory consistently interprets typical characteristics of regular SS-OPV devices. These insights should encourage the design and OPV implementation of high-purity, high-mobility polymers, and other soft materials that have shown promise in organic field-effect transistor applications, but have not performed well in BHJ OPV devices, wherein they adopt less-than-ideal nanostructures when blended with electron-accepting materials.

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47

Leyva Esqueda, Mariel, María Sánchez Vergara, José Álvarez Bada, and Roberto Salcedo. "CuPc: Effects of its Doping and a Study of Its Organic-Semiconducting Properties for Application in Flexible Devices." Materials 12, no. 3 (January 31, 2019): 434. http://dx.doi.org/10.3390/ma12030434.

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This study refers to the doping of organic semiconductors by a simple reaction between copper phthalocyanine and tetrathiafulvalene or tetracyanoquinodimethane. The semiconductor films of copper phthalocyanine, doped with tetrathiafulvalene donor (CuPc-TTF) and tetracyanoquinodimethane acceptor (CuPc-TCNQ) on different substrates, were prepared by vacuum evaporation. The structure and morphology of the semiconductor films were studied with infrared (IR) spectroscopy, X-ray diffraction (XRD), and scanning electron microscopy (SEM). The absorption spectra for CuPc-TTF, recorded in the 200–900 nm UV–vis region for the deposited films, showed two peaks: a high energy peak, around 613 nm, and a second one, around 695 nm, with both peaks corresponding to the Q-band transition of the CuPcs. From the spectra, it can also be seen that CuPc-TTF has a B-band at around 330 nm and has a bandgap of approximately 1.4 eV. The B-band in the CuPc-TCNQ spectrum is quite similar to that of CuPc-TTF; on the other hand, CuPc-TCNQ does not include a Q-band in its spectrum and its bandgap value is of approximately 1.6 eV. The experimental optical bandgaps were compared to the ones calculated through density functional theory (DFT). In order to prove the effect of dopants in the phthalocyanine semiconductor, simple devices were manufactured and their electric behaviors were evaluated. Devices constituted by the donor-acceptor active layer and by the hollow, electronic-transport selective layers, were deposited on rigid and flexible indium tin oxide (ITO) substrates by the vacuum sublimation method. The current–voltage characteristics of the investigated structures, measured in darkness and under illumination, show current density values of around 10 A/cm2 for the structure based on a mixed-PET layer and values of 3 A/cm2 for the stacked-glass layered structure. The electrical properties of the devices, such as carrier mobility (μ) were obtained from the J–V characteristics. The mobility values of the devices on glass were between 1.59 × 109 and 3.94 × 1010 cm2/(V·s), whereas the values of the devices on PET were between 1.84 × 109 and 4.51 × 109 cm2/(V·s). The different behaviors of the rigid and flexible devices is mainly due to the effect of the substrate.

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Landi, Alessandro, Raffaele Borrelli, Amedeo Capobianco, Amalia Velardo, and Andrea Peluso. "Second-Order Cumulant Approach for the Evaluation of Anisotropic Hole Mobility in Organic Semiconductors." Journal of Physical Chemistry C 122, no. 45 (October 18, 2018): 25849–57. http://dx.doi.org/10.1021/acs.jpcc.8b08126.

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Torricelli, F., Zs M. Kovács-Vajna, and L. Colalongo. "The role of the density of states on the hole mobility of disordered organic semiconductors." Organic Electronics 10, no. 5 (August 2009): 1037–40. http://dx.doi.org/10.1016/j.orgel.2009.05.013.

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Guo, Jing, Guodong Li, Heiko Reith, Lang Jiang, Ming Wang, Yuhao Li, Xinhao Wang, et al. "Doping High‐Mobility Donor–Acceptor Copolymer Semiconductors with an Organic Salt for High‐Performance Thermoelectric Materials." Advanced Electronic Materials 6, no. 3 (January 16, 2020): 1900945. http://dx.doi.org/10.1002/aelm.201900945.

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