Organic Electronics最新文献

{"title":"Towards the accurate simulation of multi-resonance emitters using mixed-reference spin-flip time-dependent density functional theory","authors":"Shawana Ahmad,&nbsp;Julien Eng,&nbsp;Thomas J. Penfold","doi":"10.1016/j.orgel.2024.107138","DOIUrl":"10.1016/j.orgel.2024.107138","url":null,"abstract":"<div><p>Multi-resonant Thermally Activated Delayed Fluorescent (MR-TADF) materials have received significant research interest owing to their potential use as emitters in high-performance Organic Light Emitting Diodes (OLEDs). Despite their advantages, including narrow emission spectra leading to high colour purity, several challenges remain in optimising the performance of these materials. One key issue is the typically long delayed fluorescence lifetime which arises from a large gap and weak coupling between the lowest lying singlet and triplet states. To develop high-performing materials, <em>in silico</em> design is an important step and consequently it is crucial to develop and deploy computational methods that accurately model their excited state properties. Previous studies have highlighted the importance of double excitations, which are not accounted for within the framework of Linear Response Time-Dependent Density Functional Theory (LR-TDDFT), contributing to the poor performance of this method for these materials. Consequently, in this work, we employ Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) to calculate the properties of MR-TADF materials. Our findings indicate that this approach accurately predicts the excited state properties including the crucial <span><math><mi>Δ</mi></math></span>E<span><math><msub><mrow></mrow><mrow><mi>S</mi><mi>T</mi></mrow></msub></math></span>, the energy difference between the lowest singlet (S<span><math><msub><mrow></mrow><mrow><mn>1</mn></mrow></msub></math></span>) and triplet (T<span><math><msub><mrow></mrow><mrow><mn>1</mn></mrow></msub></math></span>) excited states. We further use this method to explore the excited state properties of systems designed to enhance the coupling between singlet and triplet states by increasing the density of states and enhancing spin–orbit coupling through metal perturbation. The results in this work sets the foundation for computationally efficient <em>in silico</em> development high-performing MR-TADF materials within the framework of MRSF-TDDFT.</p></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"135 ","pages":"Article 107138"},"PeriodicalIF":2.7,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1566119924001496/pdfft?md5=5c17faa195ec84aebc957c763cc53cc5&pid=1-s2.0-S1566119924001496-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142229829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Low amplified spontaneous emission threshold coupled with efficient electroluminescence from a solution-processable bis-stilbene-derived dye","authors":"Houlin Wu ,&nbsp;Xiaofan Zhao ,&nbsp;Zhongxi Lin ,&nbsp;Xingli Zhong ,&nbsp;Guangling Bian ,&nbsp;Ling Song ,&nbsp;Hui Su","doi":"10.1016/j.orgel.2024.107141","DOIUrl":"10.1016/j.orgel.2024.107141","url":null,"abstract":"<div><p>Organic semiconductor lasers are immature due to material constraints. The development of high-performance organic gain media is key to enhancing device performance. Here, a new organic laser material based on carbazole-end-capped bis-stilbene (AD-BSBCz) is reported. It has excellent thermal stability and electrical properties, low amplified spontaneous radiation threshold (0.86 μJ/cm²), and good solubility for solution deposition. High-quality amorphous thin films of AD-BSBCz are easy to prepare by vapor deposition. A simplified OLED device using AD-BSBCz as the light-emitting layer can emit blue light up to 25,000 cd/m² with an external quantum efficiency of 1.99 %, demonstrating the excellent electroluminescence performance of AD-BSBCz.</p></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"135 ","pages":"Article 107141"},"PeriodicalIF":2.7,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142229831","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}

{"title":"Superior stabilized α-FAPbI3 perovskite solar cells with efficiency exceeding 24 %","authors":"Anjan Kumar ,&nbsp;Pawan Sharma ,&nbsp;Amit Ved ,&nbsp;Junainah Abd Hamid ,&nbsp;Adil Ismael Mohammed ,&nbsp;Ashish Singh ,&nbsp;Vikas Kaushik ,&nbsp;Leeth hassen jaseem","doi":"10.1016/j.orgel.2024.107143","DOIUrl":"10.1016/j.orgel.2024.107143","url":null,"abstract":"<div><p>-Fabrication of a stabilized black phase of formamidinium triiodide perovskite film is a critical issue to warrant efficient perovskite solar cells with considerable intrinsic and external stability. To address this obstacle, the study focuses on assembling α-FAPbI₃ perovskite solar cells. To realize a stabilized α-FAPbI₃, a δ-FAPbI₃ film was annealed at 150 <span><math><mrow><mo>°C</mo></mrow></math></span> at ambient air with a humidity level of 25 % to convert α-FAPbI₃. Then, this <span><math><mrow><mi>δ</mi><mo>→</mo><mi>α</mi></mrow></math></span> FAPbI₃ was crushed, and some of it was added to a fresh FAPbI₃ perovskite precursor to fabricate desirable α-FAPbI₃ layers. The cost-effective method, along with the stabilization of α-FAPbI₃, showed a high ability to promote charge transfer and suppress trap transitions in the perovskite layer. The engineered perovskite solar cells recorded a considerable filling factor of 82.89 % with a champion efficiency of 24.16 %, higher than the recorded efficiency of 21.25 %. In addition, the robust stability enables the FAPbI₃ solar cells to work steadily for more than 1200 h under simulated sunlight irradiance with just an 8 % loss in their performance.</p></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"135 ","pages":"Article 107143"},"PeriodicalIF":2.7,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142242333","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}

{"title":"Efficient thermally activated delayed fluorescence materials from symmetric anthraquinone derivatives for high-performance red OLEDs","authors":"Zhentao Bai ,&nbsp;Xiangrui Li ,&nbsp;Min Wang ,&nbsp;Letian Xu ,&nbsp;Ruming Jiang ,&nbsp;Ben Zhong Tang ,&nbsp;Zujin Zhao","doi":"10.1016/j.orgel.2024.107142","DOIUrl":"10.1016/j.orgel.2024.107142","url":null,"abstract":"<div><p>Constructing efficient red thermally activated delayed-fluorescence (TADF) materials for high-performance organic light-emitting diodes (OLEDs) remains challenging due to the formidable barrier of energy gap law. In this work, a design strategy of connecting two donor units to the adjacent positions of electron acceptor is proposed for creating red luminescent materials, and four Y-shaped TADF molecules consisting of strong electron-withdrawing anthraquinone (AQ) acceptor and triphenylamine or acridine-based donors are designed and synthesized. They exhibit strong red emissions (604−618 nm) in toluene solutions and orange/red emissions (566−608 nm) with good photoluminescence quantum yields (43−68%) in doped films, and enjoy small singlet-triplet energy gaps (0.02−0.10 eV) and fast reverse intersystem crossing processes (1.5–7.3 × 10⁵ s⁻¹), which are attributed to the unique Y-shape structure. A maximum external quantum efficiency of 19.5% with an electroluminescence peak at 616 nm is achieved for AQ-PTPA-based red doped device, representing the highest level for red TADF-OLEDs based on AQ acceptor in the literature. This work can provide guidance for the design of efficient red delayed-fluorescence molecules for the application in OLEDs.</p></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"135 ","pages":"Article 107142"},"PeriodicalIF":2.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142232380","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}

{"title":"Free carrier generation efficiency in organic photovoltaic films determined using photo-MIS-CELIV","authors":"Mile Gao ,&nbsp;Shaun McAnally ,&nbsp;Hui Jin ,&nbsp;Paul L. Burn ,&nbsp;Almantas Pivrikas ,&nbsp;Paul E. Shaw","doi":"10.1016/j.orgel.2024.107137","DOIUrl":"10.1016/j.orgel.2024.107137","url":null,"abstract":"<div><p>Solution processed organic photovoltaic (OPV) devices are promising for low-embedded energy and large-scale renewable energy production. The efficiency of charge carrier generation is a critical factor influencing the performance of photovoltaic devices. However, quantifying charge carrier generation can be challenging, with the results from experimental methods not always being easily correlated with solar cell performance. In this paper, we describe how photoinduced metal-insulating-semiconductor charge-extraction-by-linearly-increasing-voltage (photo-MIS-CELIV) can be used to determine the free charge carrier generation efficiency (FCGE) in OPV films. One of the benefits of this approach is that the FCGE can be measured alongside the charge mobility to provide a holistic picture of the fate of charges, from generation to extraction. We demonstrate this method through quantifying the FCGE of bulk heterojunctions of PCE10:ITIC-4F, D18:Y6 and PPDT2FBT:PC₇₁BM, obtaining values of 47.4 ± 1.6 %, 75.0 ± 2.5 % and 70.6 ± 4.6 %, respectively. The measured FCGEs for these blends were consistent with the device-based external quantum efficiencies (EQEs) at the excitation wavelength used. The use of photo-MIS-CELIV for quantifying the FCGE increases its utility beyond simple charge mobility measurements and provides an extra method to enable optimisation of OPV device performance.</p></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"135 ","pages":"Article 107137"},"PeriodicalIF":2.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1566119924001484/pdfft?md5=810828eb1a8aa4dd7d5bfc46a8deb41c&pid=1-s2.0-S1566119924001484-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142242332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing photovoltaic performance and stability of inverted perovskite solar cells via multifunctional molecular additive","authors":"Qi Li ,&nbsp;Qi Zeng ,&nbsp;Pavel A. Troshin ,&nbsp;Qinye Bao ,&nbsp;Shaobing Xiong","doi":"10.1016/j.orgel.2024.107139","DOIUrl":"10.1016/j.orgel.2024.107139","url":null,"abstract":"<div><p>The film quality of perovskite absorber plays a fundamental role in determining the efficiency and stability of perovskite solar cells (PSCs), of which high crystallinity and low defect density are consistently persuaded. Here, a strategy using multifunctional additive of N,N′-Diallyl-L-tartardiamide (NDT) to produce high-quality perovskite film is proposed. The rich coordination and hydrogen bonding between NDT and perovskite effectively passivate trap states, improve film crystallinity, stabilize perovskite crystal structure and confine ions migration, resulting in enhancement of charge transport and suppression of nonradiative recombination. Consequently, compared with the control device (19.07 %), the NDT-modified devices achieve a champion efficiency of 21.71 % with negligible hysteresis as well as excellent air and light stability. This work presents a facile and effective approach via multifunctional molecular additive to achieve high-performance inverted (p-i-n) PSCs.</p></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"135 ","pages":"Article 107139"},"PeriodicalIF":2.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142232381","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}

{"title":"Enhancing the reliability of InP-based QD color conversion layer through a uniform organic encapsulation layer via inkjet printing","authors":"Sang Youn Lee ,&nbsp;Chun Sakong ,&nbsp;Byeong-Kwon Ju ,&nbsp;Kwan Hyun Cho","doi":"10.1016/j.orgel.2024.107136","DOIUrl":"10.1016/j.orgel.2024.107136","url":null,"abstract":"<div><p>Quantum dot (QD) as a color conversion layer (CCL) is gaining increasing attention for use in next generation displays. However, QD CCL, especially those based on indium phosphide (InP) materials, are vulnerable to oxygen and moisture. Accordingly, even in CCL technology, encapsulation is essential to mitigate performance reduction due to the degradation of color conversion efficiency (CCE). Herein, we employed only acrylic-based resin to produce a uniform encapsulation layer on a CCL, enhancing the CCE reliability of the QD CCL under ambient conditions. To print a uniform encapsulation layer, we confirmed the significance of the minimized surface energy differences on glass, bank, and QD film through O₂ plasma treatment. We also investigated coating characteristics through adjustment of the drop spacing to analyze the reliability of the CCL. Compared to the CCL without an encapsulation layer, the CCE only showed a decrease of 1.96 % at green and 3.6 % at red light, after 168 h. The T95 (time to 95 % of the initial luminance) was improved from 5.25 h to 75.02 h by applying the encapsulation layer. As a result, we enhanced the stability of the InP-based QD CCL by printing only an organic encapsulation layer using the inkjet printing process.</p></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"135 ","pages":"Article 107136"},"PeriodicalIF":2.7,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142229830","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}

{"title":"Tunable distributed Bragg reflector developed by magnetron sputtering to improve the power conversion efficiency of transparent IR cells for solar energy harvesting applications","authors":"Rocío Ortiz ,&nbsp;Marina Richet ,&nbsp;Noella Lemaitre ,&nbsp;Eva Gutiérrez","doi":"10.1016/j.orgel.2024.107106","DOIUrl":"10.1016/j.orgel.2024.107106","url":null,"abstract":"<div><p>Transparent organic photovoltaic (TOPV) cells integrated into windows are key to reducing the carbon dioxide emissions associated with the building sector. However, TOPV cells that reach a compromise between efficiency and transparency must still be developed. In addition, to implement this technology in glass production companies, the materials and processes used in TOPV cell development must be compatible with producing these devices on an industrial scale. Here, an infrared (IR) cell combining a PC₆₀BM-based active material, ITO/ZnO as the back transparent electrode, PEDOT:PSS and ITO or Ag as the top transparent electrode, and a DBR as an antireflective coating was developed and applied on 625 mm² glass samples. The structure of the DBR based on titanium dioxide (TiO₂) and silicon dioxide (SiO₂) monolayers was adjusted to the IR cell absorption spectra to reach a power conversion efficiency (PCE) of 5 and 4.3, and an average visible transmission (AVT) of 41 % and 51 % for ITO and Ag top electrodes, respectively. The manufacturing route of these devices involved commercial polymers and coatings that can be deposited by technologies already applied in the glass industry, such as magnetron sputtering or thermal evaporation. Therefore, the IR cells developed here showed a good compromise between efficiency, transparency, and large-scale production manufacturability.</p></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"135 ","pages":"Article 107106"},"PeriodicalIF":2.7,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142164641","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}

{"title":"Design and performance of sulfur and selenium-substituted triarylboron D3-A TADF emitters for OLED applications","authors":"Oguzhan Karakurt ,&nbsp;Elif Fatma Demirgezer ,&nbsp;Murat Dastemir ,&nbsp;Semih Can Cakmaktepe ,&nbsp;Hector Miranda-Salinas ,&nbsp;Erkan Aksoy ,&nbsp;Andrew Danos ,&nbsp;Andrew Monkman ,&nbsp;Erol Yildirim ,&nbsp;Ali Cirpan","doi":"10.1016/j.orgel.2024.107130","DOIUrl":"10.1016/j.orgel.2024.107130","url":null,"abstract":"<div><p>This study presents the design, synthesis, and comprehensive theoretical and photophysical analysis of two new D₃-A type thermally activated delayed fluorescence (TADF) emitters for organic light-emitting diode (OLED) applications. Utilizing a triarylboron core as the electron-accepting group and phenothiazine (PTZ) or phenoselenazine (PSZ) as electron-donating units, the molecules BTP-S and BTP-Se were developed. The D₃-A structure supports the separation of frontier molecular orbitals (FMOs), leading to minimized singlet-triplet energy gaps (ΔE_ST), which are crucial for the TADF mechanism. Density functional theory (DFT) calculations presented that BTP-S and BTP-Se exhibit band gaps (E_g) of 2.52 and 3.23 eV, respectively, with BTP-S showing an ΔE_ST value as low as 0.007 eV for the S₁-T₁ transition at the lowest energy conformation. Photophysical studies revealed high photoluminescence quantum yields (PLQYs) for both compounds, with BTP-S achieving up to 85 % in mCP films and BTP-Se up to 59 %. In vacuum-processed OLEDs, BTP-S achieved a maximum external quantum efficiency (EQE) of 25.3 %, a current efficiency (ηc) of 195.8 cd/A, and a maximum luminance (Lmax) of 17356 cd/m², while BTP-Se reached an EQE of 7.5 %, an ηc of 132.19 cd/A, and an Lmax of 16826 cd/m² likely limited by the contributions of a folded-donor conformer enabled by the Se substitution. These findings underscore the impact of donor unit selection and conformation on the TADF characteristics, and provide valuable insights for designing high-performance OLED materials.</p></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"134 ","pages":"Article 107130"},"PeriodicalIF":2.7,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142117721","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}

{"title":"Near-infrared TADF-type organic afterglow materials","authors":"Zi Ye ,&nbsp;Jiuyang Li ,&nbsp;Xun Li,&nbsp;Guangming Wang,&nbsp;Kaka Zhang","doi":"10.1016/j.orgel.2024.107128","DOIUrl":"10.1016/j.orgel.2024.107128","url":null,"abstract":"<div><p>Because of the energy gap law, as well as the spin-forbidden nature of triplet formation and transformation, it remains formidable task to achieve efficient and long-lived organic afterglow materials with long emission wavelengths, especially in the near-infrared region, under ambient conditions. Here we incorporate TADF-type afterglow mechanism in dopant-matrix systems which features a moderate <em>k</em>_RISC of 10¹-10² s⁻¹ to harvest triplet energies, boost afterglow efficiency and maintain afterglow lifetime. Specifically, we design a series of boron difluoride curcuminoid (CurBF₂) compounds to serve as luminescent dopants. Organic matrices of crystalline nature and with carbonyl groups are selected to suppress triplet quenching by their rigid microenvironment and populate triplet states via dipole effect developed in our group. The resultant dopant-matrix systems display near-infrared TADF-type organic afterglow with emission wavelength &gt;700 nm, quantum yield around 10 % and afterglow lifetime &gt;10 ms, which can function as deep-penetrating and background-independent bioimaging probes.</p></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"134 ","pages":"Article 107128"},"PeriodicalIF":2.7,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142096819","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}