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34 pages, 6142 KiB  
Review
Grain Boundary Engineering for High-Mobility Organic Semiconductors
by Zhengran He, Kyeiwaa Asare-Yeboah and Sheng Bi
Electronics 2025, 14(15), 3042; https://doi.org/10.3390/electronics14153042 - 30 Jul 2025
Viewed by 157
Abstract
Grain boundaries are among the most influential structural features that control the charge transport in polycrystalline organic semiconductors. Acting as both charge trapping sites and electrostatic barriers, they disrupt molecular packing and introduce energetic disorder, thereby limiting carrier mobility, increasing threshold voltage, and [...] Read more.
Grain boundaries are among the most influential structural features that control the charge transport in polycrystalline organic semiconductors. Acting as both charge trapping sites and electrostatic barriers, they disrupt molecular packing and introduce energetic disorder, thereby limiting carrier mobility, increasing threshold voltage, and degrading the stability of organic thin-film transistors (OTFTs). This review presents a detailed discussion of grain boundary formation, their impact on charge transport, and experimental strategies for engineering their structure and distribution across several high-mobility small-molecule semiconductors, including pentacene, TIPS pentacene, diF-TES-ADT, and rubrene. We explore grain boundary engineering approaches through solvent design, polymer additives, and external alignment methods that modulate crystallization dynamics and domain morphology. Then various case studies are discussed to demonstrate that optimized processing can yield larger, well-aligned grains with reduced boundary effects, leading to great mobility enhancements and improved device stability. By offering insights from structural characterization, device physics, and materials processing, this review outlines key directions for grain boundary control, which is essential for advancing the performance and stability of organic electronic devices. Full article
(This article belongs to the Special Issue Feature Papers in Electronic Materials)
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12 pages, 2688 KiB  
Communication
Growth and Characterization of n-Type Hexagonal Ta2O5:W Films on Sapphire Substrates by MOCVD
by Xiaochen Ma, Yuanheng Li, Xuan Liu, Deqiang Chen, Yong Le and Biao Zhang
Materials 2025, 18(13), 3073; https://doi.org/10.3390/ma18133073 - 28 Jun 2025
Viewed by 431
Abstract
Tantalum oxide is a wide bandgap material commonly used as an insulating dielectric layer for devices. In this work, hexagonal Ta2O5 (δ-Ta2O5) films doped with tungsten (W) were deposited on α-Al2O [...] Read more.
Tantalum oxide is a wide bandgap material commonly used as an insulating dielectric layer for devices. In this work, hexagonal Ta2O5 (δ-Ta2O5) films doped with tungsten (W) were deposited on α-Al2O3 (0001) by metal–organic chemical vapor deposition (MOCVD). The effects of W doping on the structural, morphology, and photoelectrical properties of the obtained films were studied. The results showed that all W-doped films were n-type semiconductors. The XRD measurement result exhibited that the increase in the W doping concentration leads to the changes in the preferred growth crystal plane of the films from δ-Ta2O5 (101¯1) to (0001). The 1.5% W-doped film possessed the best crystal quality and conductivity. The Hall measurement showed that the minimum resistivity of the film was 2.68 × 104 Ω∙cm, and the maximum carrier concentration was 7.39 × 1014 cm3. With the increase in the W concentration, the surface roughness of the film increases, while the optical bandgap decreases. The optical band gap of the 1.5% W-doped film was 3.92 eV. The W doping mechanisms were discussed. Full article
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10 pages, 1986 KiB  
Article
Tunable Structure and Properties of Co-Evaporated Co–C60 Nanocomposite Films
by Ziyang Gu, Yiting Gao, Zhou Li, Weihang Zou, Keming Li, Huan Xu, Zhu Xiao and Mei Fang
Nanomaterials 2025, 15(10), 715; https://doi.org/10.3390/nano15100715 - 9 May 2025
Viewed by 362
Abstract
Magnetic nanoparticles (NPs) hold great promise for both fundamental research and future applications due to their unique structural features, high specific surface area, and tailored physical properties. Here, we present a convenient thermal co-evaporation approach to deposit Co–C60 composite films with controlled composition, [...] Read more.
Magnetic nanoparticles (NPs) hold great promise for both fundamental research and future applications due to their unique structural features, high specific surface area, and tailored physical properties. Here, we present a convenient thermal co-evaporation approach to deposit Co–C60 composite films with controlled composition, structure, morphology, and tunable performances, specifically designed for spintronic device applications. By tuning the growth rates of Co and C60 during co-evaporation, the composition of the films can be tuned with different ratios. With a Co/C60 ratio of 5:1, ~300 nm clusters are formed in the films with increased coercivity compared with pure Co films, which is attributed to the interfaces in the composite film. The magnetoresistance (MR), however, becomes dominated by organic semiconductor C60 with ordinary magnetoresistance (OMAR). By increasing the composition of C60 to the ratio of 5:2, the particle diameter decreases while the height increases dramatically, forming magnetic electrodes and, thus, nano-organic spin valves (OSV) in the composite films with giant magnetoresistance (GMR). The work demonstrates a versatile approach to tailoring the structural and functional properties of magnetic NP-composite films for advanced spintronic applications. Full article
(This article belongs to the Section Nanocomposite Materials)
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13 pages, 1278 KiB  
Article
Copper Phthalocyanine Chemiresistors as Industrial NO2 Alarms
by Hadi AlQahtani, Mohammad Alshammari, Amjad M. Kamal and Martin Grell
Sensors 2025, 25(9), 2955; https://doi.org/10.3390/s25092955 - 7 May 2025
Viewed by 565
Abstract
We present a chemiresistor sensor for NO2 leaks. The sensor uses the organometallic semiconductor copper(II)phthalocyanine (CuPc), and is more easily manufactured and characterised than previously described organic transistor gas sensors. Resistance R is high but within the range of modern voltage buffers. [...] Read more.
We present a chemiresistor sensor for NO2 leaks. The sensor uses the organometallic semiconductor copper(II)phthalocyanine (CuPc), and is more easily manufactured and characterised than previously described organic transistor gas sensors. Resistance R is high but within the range of modern voltage buffers. The chemiresistor weakly responds to several gases, with either a small increase (NH3 and H2S) or decrease (SO2) in R. However, the response is low at environmental pollution levels. The response to NO2 also is near-zero for permitted long-term exposure. Our sensor is, therefore, not suited for environmental monitoring, but acceptable environmental pollutant levels do not interfere with the sensor. Above a threshold of ~87 ppb, the response to NO2 becomes very strong. This response is presumably due to the doping of CuPc by the strongly oxidising NO2, and is far stronger than for previously reported CuPc chemiresistors. We relate this to differences in the film morphology. Under 1 ppm NO2, R drops by a factor of 870 vs. non-polluted air. An amount of 1 ppm NO2 is far above the ‘background’ environmental pollution, thereby avoiding false alarms, but far below immediately life-threatening levels, thus giving time to evacuate. Our sensor is destined for leak detection in the nitrogen fertiliser industry, where NO2 is an important intermediate. Full article
(This article belongs to the Section Industrial Sensors)
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14 pages, 3406 KiB  
Article
Implication of Surface Passivation on the In-Plane Charge Transport in the Oriented Thin Films of P3HT
by Nisarg Hirens Purabiarao, Kumar Vivek Gaurav, Shubham Sharma, Yoshito Ando and Shyam Sudhir Pandey
Electron. Mater. 2025, 6(2), 6; https://doi.org/10.3390/electronicmat6020006 - 7 May 2025
Viewed by 1111
Abstract
Optimizing charge transport in organic semiconductors is crucial for advancing next-generation optoelectronic devices. The performance of organic field-effect transistors (OFETs) is significantly influenced by the alignment of films in the channel direction and the quality of the dielectric surface, which should be uniform, [...] Read more.
Optimizing charge transport in organic semiconductors is crucial for advancing next-generation optoelectronic devices. The performance of organic field-effect transistors (OFETs) is significantly influenced by the alignment of films in the channel direction and the quality of the dielectric surface, which should be uniform, smooth, and free of charge-trapping defects. Our study reports the enhancement of OFET performance using large-area, uniform, and oriented thin films of regioregular poly[3-hexylthiophene] (RR-P3HT), prepared via the Floating Film Transfer Method (FTM) on octadecyltrichlorosilane (OTS) passivated SiO2 surfaces. SiO2 surfaces inherently possess dangling bonds that act as charge traps, but these can be effectively passivated through optimized surface treatments. OTS treatment has improved the optical anisotropy of thin films and the surface wettability of SiO2. Notably, using octadecene as a solvent during OTS passivation, as opposed to toluene, resulted in a significant enhancement of charge carrier transport. Specifically, passivation with OTS-F (10 mM OTS in octadecene at 100 °C for 48 h) led to a >150 times increase in mobility and a reduction in threshold voltage compared to OTS-A (5 mM OTS in toluene for 12 h at room temperature). Under optimal conditions, these FTM-processed RR-P3HT films achieved the best device performance, with a saturated mobility (μsat) of 0.18 cm2V−1s−1. Full article
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16 pages, 4844 KiB  
Article
Electrical and Optical Properties Depending on the Substitution Position of a Novel Indolocarbazole Dimer
by Jiyun Kim, Suhyeon Jeong, Sangwook Park, Saeyoung Oh, Kiho Lee, Soonhang Lee, Jihoon Lee, Hayoon Lee and Jongwook Park
Materials 2025, 18(9), 2058; https://doi.org/10.3390/ma18092058 - 30 Apr 2025
Viewed by 427
Abstract
Two innovative dimeric derivatives of indolo[3,2,1-jk]carbazole (ICz), named 7,7′-biindolo[3,2,1-jk]carbazole (ICzDO) and 4,4′-biindolo[3,2,1-jk]carbazole (ICzDM), have been developed. Both dimers consist of two ICz units coupled through distinct ortho and meta positions. In the solution state, ICzDO and ICzDM exhibited photoluminescence (PL) maxima at 379 [...] Read more.
Two innovative dimeric derivatives of indolo[3,2,1-jk]carbazole (ICz), named 7,7′-biindolo[3,2,1-jk]carbazole (ICzDO) and 4,4′-biindolo[3,2,1-jk]carbazole (ICzDM), have been developed. Both dimers consist of two ICz units coupled through distinct ortho and meta positions. In the solution state, ICzDO and ICzDM exhibited photoluminescence (PL) maxima at 379 nm and 391 nm, demonstrating emission in the deep-blue region. These compounds show exceptionally narrow emission spectra, characterized by full width at half maximum (FWHM) of 28 nm for ICzDO and 26 nm for ICzDM. In the film state, ICzDM exhibited a photoluminescence (PL) maximum at 428 nm, whereas ICzDO showed a red-shifted emission at 507 nm with a broad full width at half maximum (FWHM) of 87 nm, indicating significant red-shifted excimer emission characteristics. This is attributed to its aggregation-enhanced excimer emission (AEEE) characteristics. When used as host materials for red phosphorescent OLEDs, both compounds enabled efficient energy transfer. Devices using ICzDM as the host attained highly efficient external quantum efficiency (EQE) values of 13.5%, coupled with remarkable color purity represented by Commission Internationale de l’Éclairage (CIE) coordinates of (0.685, 0.314). These findings emphasize how strategic variations in linking positions of identical chromophores can markedly enhance OLED device performance, paving the way for innovative material designs in next-generation organic semiconductor technologies. Full article
(This article belongs to the Special Issue Advancements in Optical Materials and Photonic Device Technologies)
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12 pages, 6465 KiB  
Article
Graphene-Based Organic Semiconductor Film for Highly Selective Photocatalytic CO2 Reduction
by Yanghong Xu, Haopeng Tang, Yifei Wang, Xiaofeng Zhu and Long Yang
Nanomaterials 2025, 15(9), 677; https://doi.org/10.3390/nano15090677 - 29 Apr 2025
Cited by 1 | Viewed by 545
Abstract
Mimicking artificial photosynthesis utilizing solar energy for the production of high-value chemicals is a sustainable strategy to tackle the fossil fuel-based energy crisis and mitigate the greenhouse effect. In this study, we developed a two-dimensional (2D) graphene oxide (GO)–diketopyrrolopyrrole (DPP) film photocatalyst. GO [...] Read more.
Mimicking artificial photosynthesis utilizing solar energy for the production of high-value chemicals is a sustainable strategy to tackle the fossil fuel-based energy crisis and mitigate the greenhouse effect. In this study, we developed a two-dimensional (2D) graphene oxide (GO)–diketopyrrolopyrrole (DPP) film photocatalyst. GO nanosheets facilitate the uniform dispersion of DPP nanoparticles (~5 nm) while simultaneously constructing an efficient charge transport network to mitigate carrier recombination. Under visible-light irradiation in an aqueous solution without sacrificial agents, the optimized GO–DPP50 film catalyst exhibited exceptional performance, achieving a CO production rate of 32.62 μmol·g⁻1·h⁻1 with nearly 100% selectivity. This represents 2.77-fold and 3.28-fold enhancements over pristine GO (8.65 μmol·g−1·h−1) and bare DPP (7.62 μmol·g−1·h−1), respectively. Mechanistic analysis reveals a synergistic mechanism. The 2D GO framework not only serves as a high-surface-area substrate for DPP anchoring, but also substantially suppresses charge recombination through rapid electron transport channels. Concurrently, the uniformly distributed DPP nanoparticles improve visible-light absorption efficiency and facilitate effective photogenerated carrier excitation. This work establishes a novel paradigm for the synergistic integration of 2D nanomaterials with organic semiconductors, providing critical design principles for developing high-performance film-based photocatalysts and selectivity control in CO2 reduction applications. Full article
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21 pages, 9966 KiB  
Article
Optimization of Zinc and Aluminum Hydroxyquinolines for Applications as Semiconductors in Molecular Electronics
by María Elena Sánchez Vergara, Francisco Iñaki Díaz Morales, Bertha Molina, Edgar Alvarez-Zauco, Lourdes Bazán-Díaz and Roberto Salcedo
Molecules 2025, 30(9), 1896; https://doi.org/10.3390/molecules30091896 - 24 Apr 2025
Viewed by 471
Abstract
This work explores the dispersed heterojunction of tris-(8-hydroxyquinoline) aluminum (AlQ3) and 8-hydroxyquinoline zinc (ZnQ2) with tetracyanoquinodimethane (TCNQ) and 2,6-diaminoanthraquinone (DAAq). Thin films of these organic semiconductors were deposited and analyzed, with their structures calculated with the B3PW91/6-31G** method. The [...] Read more.
This work explores the dispersed heterojunction of tris-(8-hydroxyquinoline) aluminum (AlQ3) and 8-hydroxyquinoline zinc (ZnQ2) with tetracyanoquinodimethane (TCNQ) and 2,6-diaminoanthraquinone (DAAq). Thin films of these organic semiconductors were deposited and analyzed, with their structures calculated with the B3PW91/6-31G** method. The optimized structure for AlQ3-TCNQ, AlQ3-DAAq, is achieved by means of three hydrogen bonds, whereas for ZnQ2-DAAq, two hydrogen interactions are predicted. These structures were recalculated including the GD3 dispersion term. A stable ordering was also achieved for AlQ3-TCNQ-GD3, AlQ3-DAAq-GD3, and ZnQ2-DAAq-GD3 with four and two hydrogen contacts for the former and the two latter, respectively. Infrared (IR) and UV-visible spectroscopy confirmed these theoretical predictions, in addition to obtaining the optical band gap for the films. The optical band gap values ranged between 1.62 and 2.97 eV (theoretical) and between 2.46 and 2.87 eV (experimental). Additional optical parameters and electrical behavior were obtained, which indicates the potential of the films to be used as organic semiconductors. All three films showed transmittance above 76%, which also broadens the range of applications in electrodes, transparent transistors, or photovoltaic cells. Devices fabricated using these materials displayed ohmic electrical behavior, with peak current values between 2 × 10−3 and 6 × 10−3 A. Full article
(This article belongs to the Special Issue Recent Advancements in Semiconductor Materials)
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17 pages, 2937 KiB  
Review
Recent Advancements in P-Type Inorganic Semiconductor Thin-Film Transistors: A Review
by Narendranaik Mude, Jongsu Lee and Sungwoon Cho
Crystals 2025, 15(4), 341; https://doi.org/10.3390/cryst15040341 - 3 Apr 2025
Viewed by 1042
Abstract
The continuous growth of energy-efficient electronic devices and compact systems has motivated researchers to develop TFTs based on p-type semiconductors. This review examines the developments in p-type thin-film transistors (TFTs) processed using solution methods to achieve integration with complementary metal–oxide–semiconductor technology. Improving organic [...] Read more.
The continuous growth of energy-efficient electronic devices and compact systems has motivated researchers to develop TFTs based on p-type semiconductors. This review examines the developments in p-type thin-film transistors (TFTs) processed using solution methods to achieve integration with complementary metal–oxide–semiconductor technology. Improving organic p-type materials is critical for achieving advanced mobility and stability characteristics with suitable process integration. Scientists study these materials for use in wearable devices which display mechanical strength when fitted onto a curve. This review presents an exclusive discussion about the wide spectrum of applications which involve flexible displays and sensors, together with upcoming technologies such as artificial skin and flexible integrated circuits. The article examines present material challenges, along with device reliability and large-scale production methods, to give a thorough analysis of solution-processed p-type TFTs toward their broad implementation in upcoming electronic devices. By summarizing the developments and most recent studies in the field, this review aims to provide useful information regarding current research into and future trends of p-type TFTs. Full article
(This article belongs to the Special Issue Solution Processing and Properties of Oxide Films and Nanostructures)
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15 pages, 4473 KiB  
Article
Composite Films Based on Poly(3-hexylthiophene):Perylene Diimide Derivative:Copper Sulfide Nanoparticles Deposited by Matrix Assisted Pulsed Laser Evaporation on Flexible Substrates for Photovoltaic Applications
by Marcela Socol, Nicoleta Preda, Andreea Costas, Gabriela Petre, Andrei Stochioiu, Gianina Popescu-Pelin, Sorina Iftimie, Ana Maria Catargiu, Gabriel Socol and Anca Stanculescu
J. Compos. Sci. 2025, 9(4), 172; https://doi.org/10.3390/jcs9040172 - 1 Apr 2025
Viewed by 596
Abstract
Today, flexible and lightweight electronics are regarded as a viable alternative to conventional rigid and heavy devices in various application fields. In the optoelectronic area, organic semiconductors offer advantages such as high absorption coefficients, low processing temperatures, mechanical flexibility and compatibility with plastic [...] Read more.
Today, flexible and lightweight electronics are regarded as a viable alternative to conventional rigid and heavy devices in various application fields. In the optoelectronic area, organic semiconductors offer advantages such as high absorption coefficients, low processing temperatures, mechanical flexibility and compatibility with plastic substrates, while inorganic nanostructures provide good electronic properties and high thermal stability. Thus, composite films with enhanced properties can be achieved by inserting inorganic nanostructures within organic layers. In this research work, CuS nanoparticles were prepared by wet chemical precipitation and then added to an organic mixture containing poly(3-hexylthiophene) (P3HT) and N,N-bis-(1-dodecyl)perylene-3,4,9,10 tetracarboxylic diimide (AMC14), a chemically synthesized semiconductor, for fabricating hybrid composite films by matrix assisted pulsed laser evaporation (MAPLE) on indium tin oxide/poly(ethylene terephthalate) (ITO/PET) flexible substrates. A comparative assessment of the morphological, compositional, optical and electrical properties of the composite (P3HT:AMC14:CuS) and organic (P3HT:AMC14) layers was performed to evaluate their applicability in the photovoltaic cells. The transmission and emission spectra of the composite films are dominated by the optical features of AMC14, a perylene diimide derivative compound used as acceptor. In the case of devices based on MAPLE deposited composite layer fabricated on ITO/PET substrates, the electrical measurements carried under illumination revealed an improvement in the open circuit voltage parameter emphasizing their potential applications in the flexible device area. Full article
(This article belongs to the Section Polymer Composites)
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21 pages, 2914 KiB  
Article
The Numerical Simulation of a Non-Fullerene Thin-Film Organic Solar Cell with Cu2FeSnS4 (CFTS) Kesterite as a Hole Transport Layer Using SCAPS-1D
by Edson L. Meyer, Sindisiwe Jakalase, Azile Nqombolo, Nicholas Rono and Mojeed A. Agoro
Coatings 2025, 15(3), 266; https://doi.org/10.3390/coatings15030266 - 23 Feb 2025
Cited by 3 | Viewed by 1127
Abstract
Global warming and environmental pollution due to the overuse and exploitation of fossil fuels are the main issues affecting humans’ well-being. Solar energy is considered to be one of the most promising candidates for providing human society with a clean and sustainable energy [...] Read more.
Global warming and environmental pollution due to the overuse and exploitation of fossil fuels are the main issues affecting humans’ well-being. Solar energy is considered to be one of the most promising candidates for providing human society with a clean and sustainable energy supply. Thin-film organic solar cells (TFOSCs) use organic semiconductors as light-absorbing layer materials. TFOSCs have attracted wide research interest due to several advantages, such as easy fabrication, affordability, light weight, and environmental friendliness. Over the years, TFOSCs have been dominated by donor–acceptor blends based on polymer donors and fullerene acceptors. However, a new class of non-fullerene acceptors (NFAs) has gained prominence in TFOSCs owing to their significant improvement in the power conversion efficiency (PCE) of non-fullerene-based devices. In this study, the One-Dimensional Solar Cell Capacitance Simulator (SCAPS-1D) numerical simulator was used to study the performance of a device with a configuration of FTO/PDINO/PBDB-T/ITIC/CFTS/Al. Here, the PBDB-T/ITIC polymer blend represents poly[(2,6-(4,8-bis(5-(2 ethylhexyl)thiophen-2-yl)benzo [1,2-b:4,5-b]dithiophene)-co-(1,3-di(5-thiophene-2-yl)-5,7-bis(2-ethylhexyl)benzo [1,2-c:4,5-c]dithiophene-4,8-dione)] (PBDB)/3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone)-5,5,11,11-tetraki(4-hexylphenyl)-dithieno[2,3-d:2,3-d]-s-indaceno [1,2-b:5,6-b]dithiophene) (ITIC) and the non-fullerene acceptor (NFA) and serves as the absorber layer. The electron transport layer (ETL) was 2,9-Bis[3-(dimethyloxidoamino)propyl]anthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetrone (PDINO), and Cu2FeSnS4 (CFTS) was used as a hole transport layer (HTL). This research article aims to address the global challenges of environmental pollution and global warming caused by the overuse of fossil fuels by exploring alternative energy solutions. Upon optimization, the device achieved a power conversion efficiency (PCE) of 16.86%, a fill factor (FF) of 79.12%, a short-circuit current density (JSC) of 33.19 mA cm−2, and an open-circuit voltage (VOC) of 0.64 V. The results obtained can guide the fabrication of NFA-based TFOSCs in the near future. Full article
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19 pages, 3280 KiB  
Article
Three Isomeric Dioctyl Derivatives of 2,7-Dithienyl[1]benzo-thieno[3,2-b][1]benzothiophene: Synthesis, Optical, Thermal, and Semiconductor Properties
by Lev L. Levkov, Nikolay M. Surin, Oleg V. Borshchev, Yaroslava O. Titova, Nikita O. Dubinets, Evgeniya A. Svidchenko, Polina A. Shaposhnik, Askold A. Trul, Akmal Z. Umarov, Denis V. Anokhin, Martin Rosenthal, Dimitri A. Ivanov, Victor V. Ivanov and Sergey A. Ponomarenko
Materials 2025, 18(4), 743; https://doi.org/10.3390/ma18040743 - 7 Feb 2025
Cited by 2 | Viewed by 1840
Abstract
Organic semiconductor materials are interesting due to their application in various organic electronics devices. [1]benzothieno[3,2-b][1]benzothiophene (BTBT) is a widely used building block for the creation of such materials. In this work, three novel solution-processable regioisomeric derivatives of BTBT—2,7-bis(3-octylthiophene-2-yl)BTBT (1), 2,7-bis(4-octylthiophene-2-yl)BTBT ( [...] Read more.
Organic semiconductor materials are interesting due to their application in various organic electronics devices. [1]benzothieno[3,2-b][1]benzothiophene (BTBT) is a widely used building block for the creation of such materials. In this work, three novel solution-processable regioisomeric derivatives of BTBT—2,7-bis(3-octylthiophene-2-yl)BTBT (1), 2,7-bis(4-octylthiophene-2-yl)BTBT (2), and 2,7-bis(5-octylthiophene-2-yl)BTBT (3)—were synthesized and investigated. Their optoelectronic properties were characterized experimentally by ultraviolet–visible and fluorescence spectroscopy, time-resolved fluorimetry, and cyclic voltammetry and studied theoretically by Time-Dependent Density Functional Theory calculations. Their thermal properties were investigated by a thermogravimetric analysis, differential scanning calorimetry, polarizing optical microscopy, and in situ small-/wide-angle X-ray scattering measurements. It was shown that the introduction of alkyl substituents at different positions (3, 4, or 5) of thiophene moieties attached to a BTBT fragment significantly influences the optoelectronic properties, thermal stability, and phase behavior of the materials. Thin films of each compound were obtained by drop-casting, spin-coating and doctor blade techniques and used as active layers for organic field-effect transistors. All the OFETs exhibited p-channel characteristics under ambient conditions, while compound 3 showed the best electrical performance with a charge carrier mobility up to 1.1 cm2·V−1s−1 and current on/off ratio above 107. Full article
(This article belongs to the Section Electronic Materials)
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14 pages, 7012 KiB  
Article
The Effect of A-Cation and X-Anion Substitutions on the Electronic and Structural Properties of A2ZrX6 ‘Defect’ Perovskite Materials: A Theoretical Density Functional Theory Study
by Christina Kolokytha, Nektarios N. Lathiotakis, Andreas Kaltzoglou, Ioannis D. Petsalakis and Demeter Tzeli
Materials 2025, 18(3), 726; https://doi.org/10.3390/ma18030726 - 6 Feb 2025
Viewed by 920
Abstract
In the present work, nine ‘defect’ perovskites with the chemical formula A2ZrX6 have been studied, where the A-site cations are a methylammonium cation, formamidinium cation, and trimethyl-sulfonium cation and the X-site anions are halogen, X = Cl, Br, and I. [...] Read more.
In the present work, nine ‘defect’ perovskites with the chemical formula A2ZrX6 have been studied, where the A-site cations are a methylammonium cation, formamidinium cation, and trimethyl-sulfonium cation and the X-site anions are halogen, X = Cl, Br, and I. We employ periodic DFT calculations using GGA-PBE, MBJ, HSEsol, and HSE06 functionals. All studied compounds exhibit a wide-bandgap energy that ranges from 5.22 eV to 2.11 eV, while for some cases, geometry optimization led to significant structural modification. It was found that the increase in the halogen size resulted in a decrease in the bandgap energy. The choice of the organic A-site cation affects the bandgap as well, which is minimal for the methylammonium cation. Such semiconductors with organic cations may be utilized in optoelectronic devices, given the substantial benefit of solution processability and thin film formation compared to purely inorganic analogs, such as Cs2ZrX6. Full article
(This article belongs to the Section Advanced Nanomaterials and Nanotechnology)
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28 pages, 3977 KiB  
Review
Influence of Polystyrene Molecular Weight on Semiconductor Crystallization, Morphology, and Mobility
by Zhengran He, Sheng Bi, Kyeiwaa Asare-Yeboah and Jihua Chen
Appl. Sci. 2025, 15(3), 1232; https://doi.org/10.3390/app15031232 - 25 Jan 2025
Viewed by 1090
Abstract
The morphological characteristics of organic semiconductors significantly impact their performance in many applications of organic electronics. A list of challenges such as dendritic crystal formation, thermal cracks, grain boundaries, and mobility variations must be addressed to optimize their efficiency and stability. This paper [...] Read more.
The morphological characteristics of organic semiconductors significantly impact their performance in many applications of organic electronics. A list of challenges such as dendritic crystal formation, thermal cracks, grain boundaries, and mobility variations must be addressed to optimize their efficiency and stability. This paper provides an in-depth overview of how different polymer additives (conjugated, semicrystalline, and amorphous polymers) influence the crystallization, morphology and mobility of some well-studied organic semiconductors. Conjugated polymers enhance molecular alignment and crystallinity, leading to distinct crystalline structures and improved charge transport properties. Semicrystalline polymers offer in-situ crystallization control, which improves film morphology and increases crystallinity and mobility. Amorphous polymers help minimize misalignment and promote parallel orientation of organic crystals, which is critical for effective charge transport. Special attention is given to polystyrene (PS) as a representative additive in this review, which highlights the significant effects of its molecular weight (Mw) on film morphology and charge transport properties. In particular, low-Mw PS (less than 20k) typically results in smaller, more uniform crystals, and enhances both charge transport and interface quality. Medium-Mw PS (20k to 250k) balances film stability and crystallinity, with moderate improvements in both crystal size and mobility. High-Mw PS (greater than 250k) promotes larger crystalline domains, better long-range order, and more pronounced improvement in charge transport, although it may introduce challenges such as increased phase separation and reduced solubility. This comprehensive analysis underscores the decisive role of polymer additives in optimizing the morphology of organic semiconductors and maximizing their charge transport for next-generation organic electronic applications. Full article
(This article belongs to the Special Issue Applied Electronics and Functional Materials)
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14 pages, 2991 KiB  
Article
Investigating Benzoic Acid Derivatives as Potential Atomic Layer Deposition Inhibitors Using Nanoscale Infrared Spectroscopy
by Saumya Satyarthy, Mark Cheng and Ayanjeet Ghosh
Nanomaterials 2025, 15(3), 164; https://doi.org/10.3390/nano15030164 - 22 Jan 2025
Viewed by 1604
Abstract
Area-selective atomic layer deposition (AS-ALD) is a technique utilized for the fabrication of patterned thin films in the semiconductor industry due to its capability to produce uniform and conformal structures with control over thickness at the atomic scale level. In AS-ALD, surfaces are [...] Read more.
Area-selective atomic layer deposition (AS-ALD) is a technique utilized for the fabrication of patterned thin films in the semiconductor industry due to its capability to produce uniform and conformal structures with control over thickness at the atomic scale level. In AS-ALD, surfaces are functionalized such that only specific locations exhibit ALD growth, thus leading to spatial selectivity. Self-assembled monolayers (SAMs) are commonly used as ALD inhibiting agents for AS-ALD. However, the choice of organic molecules as viable options for AS-ALD remains limited and the precise effects of ALD nucleation and exposure to ALD conditions on the structure of SAMs is yet to be fully understood. In this work, we investigate the potential of small molecule carboxylates as ALD inhibitors, namely benzoic acid and two of its derivatives, 4-trifluoromethyl benzoic acid (TBA), and 3,5-Bis (trifluoromethyl)benzoic acid (BTBA) and demonstrate that monolayers of all three molecules are viable options for applications in ALD blocking. We find that the fluorinated SAMs are better ALD inhibitors; however, this property arises not from the hydrophobicity but the coordination chemistry of the SAM. Using nanoscale infrared spectroscopy, we probe the buried monolayer interface to demonstrate that the distribution of carboxylate coordination states and their evolution is correlated with ALD growth, highlighting the importance of the interfacial chemistry in optimizing and assessing ALD inhibitors. Full article
(This article belongs to the Special Issue Functional Two-Dimensional Materials, Thin Films and Coatings)
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