Pub Date : 2025-03-11DOI: 10.1016/j.orgel.2025.107238
Jiaxuan Wang , Chao Jiang , Chi Cao , Xuming Zhuang , Baoyan Liang , Yue Wang , Hai Bi
Developing red thermally activated delayed fluorescence (TADF) materials is challenging but crucial for realizing full-color displays and solid-state lighting systems. In this work, we propose a novel design strategy that connects two emitting units to a phenyl ring to create efficient red luminescent materials. Two D-A-π-A-D type TADF molecules with mild-twist structures, m-DTPAQCN and p-DTPAQCN, were designed and synthesized. These molecules incorporate an electron-withdrawing acceptor of quinoxaline-6,7-dicarbonitrile group and an electron-donating donor of triphenylamine group. Both m-DTPAQCN and p-DTPAQCN exhibit red emissions in toluene solutions at 607 nm and 614 nm, respectively, and in doped films at 618 nm and 627 nm. The doped films, prepared with varying doping concentrations, demonstrate excellent photoluminescence quantum yields (PLQYs) ranging from 60.10 % to 84.70 %. The corresponding organic light-emitting diodes (OLEDs) employing m-DTPAQCN and p-DTPAQCN as emitters present efficient red electroluminescence with a maximum external quantum efficiency of 17.37 % and 20.05 %, respectively. This work provides a new and effective strategy for designing efficient red TADF molecules, offering significant potential for application in OLEDs.
{"title":"Red thermally activated delayed fluorescence materials for high-performance organic light-emitting diode","authors":"Jiaxuan Wang , Chao Jiang , Chi Cao , Xuming Zhuang , Baoyan Liang , Yue Wang , Hai Bi","doi":"10.1016/j.orgel.2025.107238","DOIUrl":"10.1016/j.orgel.2025.107238","url":null,"abstract":"<div><div>Developing red thermally activated delayed fluorescence (TADF) materials is challenging but crucial for realizing full-color displays and solid-state lighting systems. In this work, we propose a novel design strategy that connects two emitting units to a phenyl ring to create efficient red luminescent materials. Two D-A-π-A-D type TADF molecules with mild-twist structures, <em>m</em>-DTPAQCN and <em>p</em>-DTPAQCN, were designed and synthesized. These molecules incorporate an electron-withdrawing acceptor of quinoxaline-6,7-dicarbonitrile group and an electron-donating donor of triphenylamine group. Both <em>m</em>-DTPAQCN and <em>p</em>-DTPAQCN exhibit red emissions in toluene solutions at 607 nm and 614 nm, respectively, and in doped films at 618 nm and 627 nm. The doped films, prepared with varying doping concentrations, demonstrate excellent photoluminescence quantum yields (PLQYs) ranging from 60.10 % to 84.70 %. The corresponding organic light-emitting diodes (OLEDs) employing <em>m</em>-DTPAQCN and <em>p</em>-DTPAQCN as emitters present efficient red electroluminescence with a maximum external quantum efficiency of 17.37 % and 20.05 %, respectively. This work provides a new and effective strategy for designing efficient red TADF molecules, offering significant potential for application in OLEDs.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"141 ","pages":"Article 107238"},"PeriodicalIF":2.7,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143619121","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-11DOI: 10.1016/j.orgel.2025.107239
Taotao Rao , Qian Qiao , Jun Zhou , Jian Zheng , Xuan Yu , Xiaoming Yu , Cunxi Zhang , Rui Wang
Self-powered hybrid plasmonic photodetectors based on Zinc oxide (ZnO) nanorod arrays (NRAs)/ZnO quantum dots (QDs)/poly(3-hexylthiophene) (P3HT) incorporated with gold nanoparticles (Au NPs) were successfully fabricated. The photoresponse performance of the ZnO NRAs/ZnO QDs/P3HT hybrid photodetectors was enhanced by the incorporation of Au NPs. The optimal ZnO NRAs/ZnO QDs-Au(250) NPs/P3HT organic-inorganic hybrid plasmonic photodetector exhibits a photo-to-dark current ratio of 2450, a responsivity of 46 mA/W and a specific detectivity of 1.88 × 1011 Jones under 525 nm light illumination and zero bias voltage. This study offers novel insights into the utilization of metal nanoparticles to enhance the performance of organic-inorganic hybrid photodetectors.
{"title":"Performance improvement of ZnO nanorod arrays / ZnO quantum dots / P3HT hybrid photodetector by Au nanoparticles","authors":"Taotao Rao , Qian Qiao , Jun Zhou , Jian Zheng , Xuan Yu , Xiaoming Yu , Cunxi Zhang , Rui Wang","doi":"10.1016/j.orgel.2025.107239","DOIUrl":"10.1016/j.orgel.2025.107239","url":null,"abstract":"<div><div>Self-powered hybrid plasmonic photodetectors based on Zinc oxide (ZnO) nanorod arrays (NRAs)/ZnO quantum dots (QDs)/poly(3-hexylthiophene) (P3HT) incorporated with gold nanoparticles (Au NPs) were successfully fabricated. The photoresponse performance of the ZnO NRAs/ZnO QDs/P3HT hybrid photodetectors was enhanced by the incorporation of Au NPs. The optimal ZnO NRAs/ZnO QDs-Au(250) NPs/P3HT organic-inorganic hybrid plasmonic photodetector exhibits a photo-to-dark current ratio of 2450, a responsivity of 46 mA/W and a specific detectivity of 1.88 × 10<sup>11</sup> Jones under 525 nm light illumination and zero bias voltage. This study offers novel insights into the utilization of metal nanoparticles to enhance the performance of organic-inorganic hybrid photodetectors.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"141 ","pages":"Article 107239"},"PeriodicalIF":2.7,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143619120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-08DOI: 10.1016/j.orgel.2025.107237
Jinghao Fu, Dezhi Yang, Ji Li, Guo He, Dechao Guo, Rentao Dong, Dongge Ma
Organic photodetectors (OPDs) offer some advantages, including flexibility, cost-effectiveness, wavelength tunability, and lightweight, making them compelling alternatives to inorganic photodetectors across numerous applications. However, the low charge carrier mobility of organic semiconductors greatly limits the response speed of OPDs, which remains a significant challenge to further enhance the response speed of these devices to meet the demands of communication and other fields. Previous studies have mainly focused on the efforts to enhance the response speed, but the relationship between response speed and charge carrier transport characteristics has been rarely explored. In this study, we employ the time-of-flight technique to investigate the mobility characteristics of different hole transport layer materials, MCBP and TCTA, and their impact on response speed of the resulting OPDs. The OPD utilizing TCTA as the hole transport layer has achieved a -3dB bandwidth of up to 85 MHz. Compared with MCBP with higher mobility, the stronger transport dispersion of TCTA makes it a more suitable choice for fast-response OPDs, suggesting that the response speed is not solely determined by the mobility of charge carrier transport layer materials.
{"title":"Study on the influence of hole transport materials on the response speed of organic photodetectors by time-of-flight technique","authors":"Jinghao Fu, Dezhi Yang, Ji Li, Guo He, Dechao Guo, Rentao Dong, Dongge Ma","doi":"10.1016/j.orgel.2025.107237","DOIUrl":"10.1016/j.orgel.2025.107237","url":null,"abstract":"<div><div>Organic photodetectors (OPDs) offer some advantages, including flexibility, cost-effectiveness, wavelength tunability, and lightweight, making them compelling alternatives to inorganic photodetectors across numerous applications. However, the low charge carrier mobility of organic semiconductors greatly limits the response speed of OPDs, which remains a significant challenge to further enhance the response speed of these devices to meet the demands of communication and other fields. Previous studies have mainly focused on the efforts to enhance the response speed, but the relationship between response speed and charge carrier transport characteristics has been rarely explored. In this study, we employ the time-of-flight technique to investigate the mobility characteristics of different hole transport layer materials, MCBP and TCTA, and their impact on response speed of the resulting OPDs. The OPD utilizing TCTA as the hole transport layer has achieved a -3dB bandwidth of up to 85 MHz. Compared with MCBP with higher mobility, the stronger transport dispersion of TCTA makes it a more suitable choice for fast-response OPDs, suggesting that the response speed is not solely determined by the mobility of charge carrier transport layer materials.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"141 ","pages":"Article 107237"},"PeriodicalIF":2.7,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143619122","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-07DOI: 10.1016/j.orgel.2025.107236
Xixuan Wang, Guimin Zhao, Wei Jiang, Yueming Sun
The design and development of large steric-hindrance host materials can effectively solve the quenching of triplet excitons, so as to improve the utilization of excitons and the performance of organic light-emitting diodes (OLED) devices. In this work, four large volume thermally activated delayed fluorescence (TADF) host materials were synthesized using triazine derivatives as electron acceptors and indolocarbazole derivatives as electron donors. Systematic studies demonstrated that introducing tert-butyl carbazole into indolocarbazole derivatives not only increased the steric hindrance of the molecule but also improved its thermodynamic stability. The decomposition temperatures (Td) of TRZ-tCzICz and MeTRZ-tCzICz reached 449 °C and 481 °C, and there was no significant glassing transition temperature (Tg) in the range of 20–200 °C. The strategy of introducing methyl into triazine effectively separated HOMO and LUMO of molecule, resulting in smaller singlet-triplet splitting (ΔEST) and larger reverse intersystem crossing rates (kRISC). Among the four molecules, the kRISC of TRZ-tCzICz and MeTRZ-tCzICz reached 2.07 × 106 s−1 and 2.16 × 106 s−1, respectively. All four synthesized molecules had relatively high triplet energy levels and can serve as host materials for green TADF compounds. With 4CzIPN as the dopant, the solution processable OLED devices based the four compounds as the host materials achieved maximum external quantum efficiency (EQEmax) of 11.13 %.
{"title":"Thermally activated delayed fluorescence host materials with bulky indolocarbazole derivatives acceptors for high-performance solution-processed OLEDs","authors":"Xixuan Wang, Guimin Zhao, Wei Jiang, Yueming Sun","doi":"10.1016/j.orgel.2025.107236","DOIUrl":"10.1016/j.orgel.2025.107236","url":null,"abstract":"<div><div>The design and development of large steric-hindrance host materials can effectively solve the quenching of triplet excitons, so as to improve the utilization of excitons and the performance of organic light-emitting diodes (OLED) devices. In this work, four large volume thermally activated delayed fluorescence (TADF) host materials were synthesized using triazine derivatives as electron acceptors and indolocarbazole derivatives as electron donors. Systematic studies demonstrated that introducing tert-butyl carbazole into indolocarbazole derivatives not only increased the steric hindrance of the molecule but also improved its thermodynamic stability. The decomposition temperatures (T<sub>d</sub>) of TRZ-tCzICz and MeTRZ-tCzICz reached 449 °C and 481 °C, and there was no significant glassing transition temperature (T<sub>g</sub>) in the range of 20–200 °C. The strategy of introducing methyl into triazine effectively separated HOMO and LUMO of molecule, resulting in smaller singlet-triplet splitting (Δ<em>E</em>ST) and larger reverse intersystem crossing rates (<em>k</em><sub>RISC</sub>). Among the four molecules, the <em>k</em><sub>RISC</sub> of TRZ-tCzICz and MeTRZ-tCzICz reached 2.07 × 10<sup>6</sup> s<sup>−1</sup> and 2.16 × 10<sup>6</sup> s<sup>−1</sup>, respectively. All four synthesized molecules had relatively high triplet energy levels and can serve as host materials for green TADF compounds. With 4CzIPN as the dopant, the solution processable OLED devices based the four compounds as the host materials achieved maximum external quantum efficiency (EQE<sub>max</sub>) of 11.13 %.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"141 ","pages":"Article 107236"},"PeriodicalIF":2.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143619119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-01DOI: 10.1016/j.orgel.2025.107229
Zeyu Jia, Xiangqiong Xie, Zhenyong Guo, Zhiqi Kou
In this work, we present a high-performance warm white organic light-emitting diode (WOLED) achieving a maximum color rendering index (CRI) of 95, based on a novel TADF-Doped Exciplex Co-host Structure. The device design integrates a blue exciplex (mCP:PO-T2T) as the host material, sensitizing ultrathin phosphorescent layers emitting green, yellow, and red light. By systematically varying the thickness of spacer and ultrathin layers, the position of the exciton recombination zone was finely tuned, revealing its critical role in exciton transport dynamics and energy transfer efficiency. To optimize exciton transport pathways, the TADF material 4CzTPN was strategically incorporated into the spacer layers. This incorporation significantly altered the exciton transfer mechanism by facilitating efficient reverse intersystem crossing (RISC) and promoting Förster energy transfer from the exciplex to phosphorescent emitters. Consequently, this approach not only reduces triplet exciton density, mitigating Dexter transfer losses, but also enhances exciton utilization efficiency. As a result, the WOLED achieves warm white light emission with a high CRI closely aligned with the Planckian locus on the CIE chromaticity diagram. These findings demonstrate the transformative potential of the TADF-Doped Exciplex Co-host Structure for developing efficient and color-stable WOLEDs, paving the way for next-generation lighting and display technologies.
{"title":"High-CRI warm white OLEDs based on TADF-Doped Exciplex Co-host Structure enabled by efficient reverse intersystem crossing","authors":"Zeyu Jia, Xiangqiong Xie, Zhenyong Guo, Zhiqi Kou","doi":"10.1016/j.orgel.2025.107229","DOIUrl":"10.1016/j.orgel.2025.107229","url":null,"abstract":"<div><div>In this work, we present a high-performance warm white organic light-emitting diode (WOLED) achieving a maximum color rendering index (CRI) of 95, based on a novel TADF-Doped Exciplex Co-host Structure. The device design integrates a blue exciplex (mCP:PO-T2T) as the host material, sensitizing ultrathin phosphorescent layers emitting green, yellow, and red light. By systematically varying the thickness of spacer and ultrathin layers, the position of the exciton recombination zone was finely tuned, revealing its critical role in exciton transport dynamics and energy transfer efficiency. To optimize exciton transport pathways, the TADF material 4CzTPN was strategically incorporated into the spacer layers. This incorporation significantly altered the exciton transfer mechanism by facilitating efficient reverse intersystem crossing (RISC) and promoting Förster energy transfer from the exciplex to phosphorescent emitters. Consequently, this approach not only reduces triplet exciton density, mitigating Dexter transfer losses, but also enhances exciton utilization efficiency. As a result, the WOLED achieves warm white light emission with a high CRI closely aligned with the Planckian locus on the CIE chromaticity diagram. These findings demonstrate the transformative potential of the TADF-Doped Exciplex Co-host Structure for developing efficient and color-stable WOLEDs, paving the way for next-generation lighting and display technologies.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"141 ","pages":"Article 107229"},"PeriodicalIF":2.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143578807","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-01DOI: 10.1016/j.orgel.2025.107228
Fu Liu , Yijun Zhu , Jian Xiong , Zhen He , Yuanwei Pu , Yongchao Liang , Qiaofei Hu , Yinqi Zuo , Qiyu Yang , Dongjie Wang , Yu Huang , Qiaogan Liao , Zheling Zhang , Jian Zhang
Recombination losses from perovskite/fullerene interface issues significantly limit the performance and stability of inverted perovskite solar cells (PSCs). A simple post-treatment method based on Boc-D-Val-OH (BDVO) is developed to overcome these issues. A systematic study has been conducted on the impact of BDVO on the physical properties of the film and the device. The results confirm that BDVO post-treatment can passivate trap states of the perovskite film surface, improve contact at the perovskite/fullerene interface, and enhance the built-in interface electrical field of the device. That improvements lead to enhanced carrier transport dynamics, as well as improves the performance and stability of PSCs. A relatively higher power conversion efficiency (PCE) of 23.02 % is achieved by BDVO post-treatment. Additionally, after storage in air (30–40 RH%) for 264 h (12 days) and in N2 for 312 h (13 days), the PCE of the BDVO devices can remain at 90 % and 95 % of their initial values, respectively, while the control devices under the same exposure conditions only maintain 83 % and 88 % of their initial PCE values. The study sheds light on the pathway for perovskite/fullerene interface material selection and design, aimed at enhancing device performance and stability through streamlined post-treatment.
{"title":"Efficient post-treatment strategy for enhancing the performance and stability of the inverted perovskite solar cells based on Boc-D-Val-OH","authors":"Fu Liu , Yijun Zhu , Jian Xiong , Zhen He , Yuanwei Pu , Yongchao Liang , Qiaofei Hu , Yinqi Zuo , Qiyu Yang , Dongjie Wang , Yu Huang , Qiaogan Liao , Zheling Zhang , Jian Zhang","doi":"10.1016/j.orgel.2025.107228","DOIUrl":"10.1016/j.orgel.2025.107228","url":null,"abstract":"<div><div>Recombination losses from perovskite/fullerene interface issues significantly limit the performance and stability of inverted perovskite solar cells (PSCs). A simple post-treatment method based on Boc-D-Val-OH (BDVO) is developed to overcome these issues. A systematic study has been conducted on the impact of BDVO on the physical properties of the film and the device. The results confirm that BDVO post-treatment can passivate trap states of the perovskite film surface, improve contact at the perovskite/fullerene interface, and enhance the built-in interface electrical field of the device. That improvements lead to enhanced carrier transport dynamics, as well as improves the performance and stability of PSCs. A relatively higher power conversion efficiency (PCE) of 23.02 % is achieved by BDVO post-treatment. Additionally, after storage in air (30–40 RH%) for 264 h (12 days) and in N<sub>2</sub> for 312 h (13 days), the PCE of the BDVO devices can remain at 90 % and 95 % of their initial values, respectively, while the control devices under the same exposure conditions only maintain 83 % and 88 % of their initial PCE values. The study sheds light on the pathway for perovskite/fullerene interface material selection and design, aimed at enhancing device performance and stability through streamlined post-treatment.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"141 ","pages":"Article 107228"},"PeriodicalIF":2.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143547938","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-22DOI: 10.1016/j.orgel.2025.107227
Abrar U. Hassan , Cihat Güleryüz , Sajjad H. Sumrra , Sadaf Noreen , Mohamed H.H. Mahmoud
As global energy demands escalate, developing high-performance photovoltaic (PV) materials through accelerated design methodologies is imperative. A machine learning (ML) assisted predictive models are used to accelerate the design of benzodithiophene (BDT)-based polymers for their PV applications. The current approach leverages a curated dataset of 191 compounds with experimental UV–Vis spectra, mapped to molecular electronic descriptors via RDKit. Random Forest modeling yields a predictive framework (R2 = 0.98) for predicting their maximum absorption (λmax). After it, their 5000 new designs as novel polymers, identifying top performers with Synthetic Accessibility Likelihood Index scores up to 57, ensuring synthesis feasibility have also been designed. Feature importance analysis highlights MaxPartialCharge and Aromatic rings as crucial descriptors. The designed materials exhibit optimal energy gaps (1.35–2.0 eV), paving the way for efficient PV devices. The computed UV–Vis spectra of best predicted polymers are studied with their λmax range of 487–987 nm showing a significant redshift behavior. The designed polymers presents and good potential towards and they can be good candidates for organic solar cell applications.
{"title":"A rapid UV/Vis assisted designing of benzodithiophene based polymers by machine learning to predict their light absorption for photovoltaics","authors":"Abrar U. Hassan , Cihat Güleryüz , Sajjad H. Sumrra , Sadaf Noreen , Mohamed H.H. Mahmoud","doi":"10.1016/j.orgel.2025.107227","DOIUrl":"10.1016/j.orgel.2025.107227","url":null,"abstract":"<div><div>As global energy demands escalate, developing high-performance photovoltaic (PV) materials through accelerated design methodologies is imperative. A machine learning (ML) assisted predictive models are used to accelerate the design of benzodithiophene (BDT)-based polymers for their PV applications. The current approach leverages a curated dataset of 191 compounds with experimental UV–Vis spectra, mapped to molecular electronic descriptors via RDKit. Random Forest modeling yields a predictive framework (R<sup>2</sup> = 0.98) for predicting their maximum absorption (<em>λ</em><sub>max</sub>). After it, their 5000 new designs as novel polymers, identifying top performers with Synthetic Accessibility Likelihood Index scores up to 57, ensuring synthesis feasibility have also been designed. Feature importance analysis highlights MaxPartialCharge and Aromatic rings as crucial descriptors. The designed materials exhibit optimal energy gaps (1.35–2.0 eV), paving the way for efficient PV devices. The computed UV–Vis spectra of best predicted polymers are studied with their <em>λ</em><sub>max</sub> range of 487–987 nm showing a significant redshift behavior. The designed polymers presents and good potential towards and they can be good candidates for organic solar cell applications.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"141 ","pages":"Article 107227"},"PeriodicalIF":2.7,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143535403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-21DOI: 10.1016/j.orgel.2025.107226
Walid Taouali , Amel Azazi , Rym Hassani , Entesar H. EL-Araby , Kamel Alimi
In this study, density functional theory (DFT) and time-dependent (TD) DFT were employed in order to conduct electronic structure predictions of four novel non-fullerene acceptors (NF2-NF5) generated from the recently synthesized acceptor BTPT-OD (NF1). We provided detailed information about charge transfer and optoelectronic properties of tailored structures, and we compared them to the reference compound. Compared to the energy gap of the reference molecule (2.09 eV), all developed molecules showed a smaller energy gap (2.00–2.08 eV). The created molecules, NF3 and NF4, exhibit high dipole moments of 8.902 D and 6.988 D, respectively, which may enhance the charge transfer rate. Maximum absorption of NF3-NF5 compounds (λmax, 686.7–694.6 nm) revealed a red shift in absorption as compared to the primary molecule NF1 (λmax = 676.9 nm). Based on the earlier research (J. Comput. Chem. 2023, 44, 2130–2148), we employed the recently modified Scharber plot to highlight the role of a narrower electronic gap in the proposed non-fullerene acceptors to enhance the power conversion efficiency. Among all tailored molecules, NF3 showed enhanced photovoltaic parameters; it exhibits a short circuit current density of Jsc = 11.34 mA/cm2, an open circuit voltage of VOC = 1.09 V, and a power conversion efficiency of PCE = 5.35 %, while reference molecule photovoltaic parameters are Jsc = 09.43 mA/cm2, VOC = 1.03 V, and PCE = 4.21 %.
{"title":"Developed non-fullerene acceptors with modified BTPT-OD donor core: A DFT and TD-DFT methods to boost organic solar cell performances","authors":"Walid Taouali , Amel Azazi , Rym Hassani , Entesar H. EL-Araby , Kamel Alimi","doi":"10.1016/j.orgel.2025.107226","DOIUrl":"10.1016/j.orgel.2025.107226","url":null,"abstract":"<div><div>In this study, density functional theory (DFT) and time-dependent (TD) DFT were employed in order to conduct electronic structure predictions of four novel non-fullerene acceptors (NF2-NF5) generated from the recently synthesized acceptor BTPT-OD (NF1). We provided detailed information about charge transfer and optoelectronic properties of tailored structures, and we compared them to the reference compound. Compared to the energy gap of the reference molecule (2.09 eV), all developed molecules showed a smaller energy gap (2.00–2.08 eV). The created molecules, NF3 and NF4, exhibit high dipole moments of 8.902 D and 6.988 D, respectively, which may enhance the charge transfer rate. Maximum absorption of NF3-NF5 compounds (<em>λ</em><sub>max</sub>, 686.7–694.6 nm) revealed a red shift in absorption as compared to the primary molecule NF1 (<em>λ</em><sub>max</sub> = 676.9 nm). Based on the earlier research (J. Comput. Chem. 2023, 44, 2130–2148), we employed the recently modified Scharber plot to highlight the role of a narrower electronic gap in the proposed non-fullerene acceptors to enhance the power conversion efficiency. Among all tailored molecules, NF3 showed enhanced photovoltaic parameters; it exhibits a short circuit current density of J<sub>sc</sub> = 11.34 mA/cm<sup>2</sup>, an open circuit voltage of V<sub>OC</sub> = 1.09 V, and a power conversion efficiency of PCE = 5.35 %, while reference molecule photovoltaic parameters are J<sub>sc</sub> = 09.43 mA/cm<sup>2</sup>, V<sub>OC</sub> = 1.03 V, and PCE = 4.21 %.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"140 ","pages":"Article 107226"},"PeriodicalIF":2.7,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-20DOI: 10.1016/j.orgel.2025.107222
Liang Yin, Jiaye Shen, Nianduan Lu
Compact model of threshold voltage plays an important role in circuit design, material screening, and device analysis for organic thin-film transistors (OTFTs). In this work, by using the variable range hopping theory and the concept of transport energy, a novel compact model for the threshold voltage of organic thin film transistor has proposed. Based on the presented model, the varieties of temperature, channel length and drain voltage dependence of threshold voltage can be well described. Good agreement between the model and experimental data is demonstrated.
{"title":"Compact model for threshold voltage of organic thin film transistors","authors":"Liang Yin, Jiaye Shen, Nianduan Lu","doi":"10.1016/j.orgel.2025.107222","DOIUrl":"10.1016/j.orgel.2025.107222","url":null,"abstract":"<div><div>Compact model of threshold voltage plays an important role in circuit design, material screening, and device analysis for organic thin-film transistors (OTFTs). In this work, by using the variable range hopping theory and the concept of transport energy, a novel compact model for the threshold voltage of organic thin film transistor has proposed. Based on the presented model, the varieties of temperature, channel length and drain voltage dependence of threshold voltage can be well described. Good agreement between the model and experimental data is demonstrated.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"140 ","pages":"Article 107222"},"PeriodicalIF":2.7,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143509982","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-20DOI: 10.1016/j.orgel.2025.107223
Ruiqi Sun , Xiaobin Dong , Maoxing Yu , Zeyan Zhuang , Ben Zhong Tang , Zujin Zhao
Robust host materials play a critical role in improving efficiency and stability for organic light-emitting diodes (OLEDs). To address the challenges of exciton quenching and imbalanced charge transport in traditional unipolar host systems, herein, we design two V-shaped bipolar host materials, v-CzTRZ and v-InCzTRZ, consisting of a carbazole (Cz)/7,7-dimethyl-5,7-dihydroindeno[2,1-b]carbazole (InCz) donor, a triazine (TRZ) acceptor and a o-terphenyl bridge. Their thermal stability, electrochemical properties, electrical structures, optical characteristics, charge transport capabilities, and applicability as host materials are systematically investigated. v-InCzTRZ exhibits pronounced thermally activated delayed fluorescence (TADF) property and superior charge transport ability, rendering it an efficient and versatile host material for a wide range of luminescent materials, including noble metal-containing phosphors, and purely organic classical TADF and multi-resonance (MR) TADF emitters. The OLED using v-InCzTRZ as host for phosphorescent Ir(tptpy)2acac exhibits an excellent maximum external quantum efficiency (ηext,max) of 37.24 % and an ultrahigh luminance of 248500 cd m−2 with a minimal efficiency roll-off of only 2.8 % at 1000 cd m−2 luminance. Besides, the OLED utilizing v-InCzTRZ as host for MR-TADF emitter of BN2 achieves an outstanding ηext,max of 38.78 %, much better than those using common host materials. These results demonstrate the high potential of V-shaped bipolar hosts for high-performance OLEDs.
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