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Benzothiadiazole-thiophene based conjugated Polymers: Impact of conjugated chain length on electrochromic performance 苯并噻唑-噻吩基共轭聚合物:共轭链长度对电致变色性能的影响
IF 2.6 4区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-08-18 DOI: 10.1016/j.orgel.2025.107324
Kaiwen Lin , Zhaoji Xin , Guiliang Tan , Yeyi Lei , Yufei Zhao , Xiaoge Liu , Yulian Liu , Dong Yuan , Hao Liu , Liangying Wang
In this work, two donor-acceptor-donor (D-A-D) type electrochromic conjugated polymers were prepared upon electrochemical oxidation through their precursors employed thiophenes as the donor units and benzothiazole as the acceptor unit. The conjugated chain length effects of the polymers’ electrochemical and electrochromic properties were carefully examined. As the conjugated chain length increases, both precursors exhibited reduced the HOMO-LUMO energy gap and red-shifted UV–Vis absorption and fluorescence spectra. Both polymers displayed n-doping and p-doping process with excellent redox stability, PBT-4T retained 94.17 % of its original electroactivity, which is higher than that of PBT-2T (92.86 %). Meanwhile, both polymers exhibited reversible changes in UV–Vis absorption spectra under voltage drive of 0 V–1.8 V, accompanied by color changes from light pink to black-gray (PBT-2T) and from purple to dark brown (PBT-4T). PBT-2T showed highest optical contrast of 41 % at 750 nm and fastest response time of 0.2 s for the oxidation process at 528 nm because of porous structure, which undoubtedly facilitates the ingress and egress of ions. The varying the π-conjugated chain length from bithiophene to quaterthiophene strategy may provide a new research idea to achieve high-performance electrochromic conjugated polymers.
本文以噻吩为供体单元,苯并噻唑为受体单元,通过电化学氧化法制备了两种供体-受体-供体(D-A-D)型电致变色共轭聚合物。研究了共轭链长对聚合物电化学和电致变色性能的影响。随着共轭链长度的增加,两种前驱体的HOMO-LUMO能隙减小,紫外可见吸收光谱和荧光光谱红移。两种聚合物均表现为n掺杂和p掺杂过程,具有良好的氧化还原稳定性,PBT-4T保持了94.17%的原始电活性,高于PBT-2T的92.86%。同时,在0 V - 1.8 V电压驱动下,两种聚合物的UV-Vis吸收光谱均呈现可逆变化,颜色由浅粉色变为黑灰色(PBT-2T),由紫色变为深棕色(PBT-4T)。由于PBT-2T的多孔结构,其在750 nm处的光学对比度最高,达到41%,在528 nm处的氧化反应时间最快,为0.2 s,这无疑有利于离子的进出。从二噻吩到季噻吩改变π共轭链长度的策略可能为实现高性能电致变色共轭聚合物提供新的研究思路。
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引用次数: 0
The analysis of the electroluminescence performance of multi-RISC channel single-emissive-layer organic light-emitting diode 多risc通道单发射层有机发光二极管的电致发光性能分析
IF 2.6 4区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-08-11 DOI: 10.1016/j.orgel.2025.107323
Ruixing Wanghe, Zeyu Jia, Guangyuan Wang
With the advancement of technology, an increasing number of high efficiency organic light-emitting diode (OLED) devices utilizing multi-reverse intersystem crossing (RISC) channels have been reported. The multi-RISC channel strategy has emerged as a highly feasible OLED design approach. However, the analysis of multi-RISC channel single-emissive-layer OLEDs still faces numerous challenges due to the presence of multiple different kinds of molecules in the EML. Herein, based on experiments, molecular dynamics (MD) simulations, and quantum chemical calculations, a systematic analysis has been conducted on the impact of doping concentration on the electroluminescence performance of multi-RISC channel single-emissive-layer OLEDs. It is believed that the impact of doping concentration on the electroluminescence performance of multi-RISC channel single-emissive-layer OLEDs is attributed to the charge carrier recombination order in the emitting layer, the fluctuation of the excited state energy level of exciplex caused by the change in molecular polarity surrounding the emissive exciplex, and the transition between different efficiency roll-off models. This work provides new pathways and analysis methods to enhancing the efficiency of multi-RISC channel single-emissive-layer OLEDs.
随着技术的进步,利用多反向系统交叉(RISC)通道的高效有机发光二极管(OLED)器件被越来越多地报道。多risc通道策略已成为一种高度可行的OLED设计方法。然而,由于EML中存在多种不同类型的分子,多risc通道单发射层oled的分析仍然面临许多挑战。本文基于实验、分子动力学(MD)模拟和量子化学计算,系统分析了掺杂浓度对多risc通道单发射层oled电致发光性能的影响。认为掺杂浓度对多risc通道单发射层oled电致发光性能的影响主要归因于发射层中载流子的重组顺序、发射复合物周围分子极性变化引起的激振态能级的波动以及不同效率滚转模型之间的过渡。这项工作为提高多risc通道单发射层oled的效率提供了新的途径和分析方法。
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引用次数: 0
Leveraging rhodamine-terminated small molecule acceptors for high open-circuit voltage and improved efficiency in organic solar cells 利用罗丹明端接小分子受体的高开路电压和提高效率的有机太阳能电池
IF 2.6 4区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-30 DOI: 10.1016/j.orgel.2025.107311
Jiangtong Zhao , Yiming Shao , Rui Sun , Weiwei Wu , Bo Xiao , Ji Wan , Youdi Zhang , Jie Min
The asymmetric molecular design strategy has been proven to be an effective method to improve the photovoltaic performance of organic solar cells. In this work, to extend the pool of asymmetric non-fullerene acceptors, we introduced rhodamine as a terminal group into Y-series small molecule acceptors (SMAs) and synthesized three asymmetric SMAs (BTP-Rh2F, BTP-Rh2Cl, and BTP-Rh2Br) with different halogen substitutions. As a result, shallow lowest unoccupied molecular orbital energy levels of these SMAs contribute to high open-circuit voltage (VOC) values exceeding 0.95 V in corresponding devices. However, insufficient exciton dissociation and inefficient charge carrier mobility limit the power conversion efficiencies (PCEs). Notably, the introduction of BTP-Rh2Cl as a third component into the PM6:BTP-eC9 binary host system effectively reduces non-radiative recombination, ultimately yielding an enhanced PCE of 18.03 % along with improved VOC of 0.863 V. This work highlights the potential of rhodamine-modified SMAs in enhanced VOC and high-efficiency ternary solar cells.
不对称分子设计策略已被证明是提高有机太阳能电池光电性能的有效方法。为了扩大不对称非富勒烯受体的范围,我们将罗丹明作为末端基团引入到y系列小分子受体(SMAs)中,合成了三种不同卤素取代的不对称SMAs (BTP-Rh2F、BTP-Rh2Cl和BTP-Rh2Br)。因此,这些sma的最低浅未占据分子轨道能级导致相应器件的高开路电压(VOC)值超过0.95 V。然而,激子解离不足和载流子迁移率低限制了功率转换效率(pce)。值得注意的是,在PM6:BTP-eC9二元主机系统中引入BTP-Rh2Cl作为第三组分,有效地减少了非辐射复合,最终提高了18.03%的PCE和0.863 V的VOC。这项工作突出了罗丹明改性sma在增强VOC和高效三元太阳能电池中的潜力。
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引用次数: 0
Alkylthio side-chain engineering on the quinoxaline-based electron acceptors for efficient organic solar cells 高效有机太阳能电池中喹诺啉基电子受体的烷基硫代侧链工程
IF 2.6 4区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-29 DOI: 10.1016/j.orgel.2025.107310
Kui Li , Yue Liu , Hang Yang , Ya Yuan , Jun Feng , Jiahao Qian , Xuncheng Zhu , Yue Wu , Chaohua Cui , Yongfang Li
Alkylthio side-chain engineering plays an important role in constructing high-performance small-molecule acceptors (SMAs) for organic solar cells (OSCs). In this work, two ethylthio-substituted quinoxaline core-based SMAs (BQS-F and BQDS-F) are developed to elucidate the impact of alkylthio substituents on their physicochemical and photoelectric properties. Comparative analysis reveals that the dialkylthio-substituted BQDS-F exhibited a more planar molecular backbone, red-shifted absorption spectrum, upshifted molecular orbital energy levels, and enhanced crystallinity compared to the monoalkylthio-substituted BQS-F. However, the poor thermodynamic compatibility of BQDS-F with the polymer donor D18 leads to excessively phase-separated heterojunction textures. By contrast, more homogeneous and uniform phase separation is realized in D18:BQS-F blend film, resulting in enhanced exciton dissociation efficiency, improved charge carrier mobility, and suppressed charge recombination. As a result, the BQS-F-based device affords a much higher efficiency of 15.52 % compared to the BQDS-F-based device (12.21 %). The results clarify the effect of ethylthio substituents on quinoxaline core-based SMAs, which are instructive to further advance the development of organic photovoltaics.
烷基硫代侧链工程在构建高性能有机太阳能电池小分子受体(SMAs)中起着重要的作用。本研究开发了两个乙基硫代喹啉核基sma (BQDS-F和BQDS-F),以阐明烷基硫代取代基对其物理化学和光电性质的影响。对比分析表明,与单烷基硫代BQDS-F相比,二烷基硫代BQDS-F具有更平坦的分子骨架、红移的吸收光谱、上移的分子轨道能级和更高的结晶度。然而,BQDS-F与聚合物给体D18的热力学相容性较差,导致相分离过度的异质结织构。相比之下,D18:BQS-F共混膜实现了更均匀的相分离,增强了激子解离效率,提高了载流子迁移率,抑制了电荷复合。结果表明,基于bqds - f的器件的效率为15.52%,远高于基于bqds - f的器件(12.21%)。研究结果阐明了乙基硫基取代基对喹诺啉核基sma的影响,对进一步推进有机光伏的发展具有指导意义。
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引用次数: 0
Achieving uniform electrical performance by regulating domain structure in aligned DPPT-TT: PMMA blended layers 通过调节排列dpt - tt: PMMA混合层的畴结构来实现均匀的电性能
IF 2.6 4区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-29 DOI: 10.1016/j.orgel.2025.107314
Hong Zhu , Wenkai Tan , Lijian Chen , Quanhua Chen , Guangan Yang , Li Zhu , Xiang Wan , Chee Leong Tan , Dongyoon Khim , Zhihao Yu , Yong Xu , Huabin Sun
Polymer field-effect transistors (PFETs) hold significant promise for flexible displays. However, their widespread application is hindered by performance non-uniformity arising from vatiations in chain alignment and domain structures. This paper optimizes the electrical uniformity by integrating the Langmuir-Blodgett (LB) technique with poly (methyl-methacrylate) (PMMA) blending in aligned copolymer DPPT-TT semiconductor layers. The LB process enhances molecular orientation, strengthening π-π intermolecular interactions. The on-current of parallel-channel devices reaches 27 μA, which is a 20 % increase compared to orthogonal-channel devices. Incorporating PMMA (DPPT-TT:PMMA = 1:0.4) optimize film morphology, exhibit a more uniform threshold voltage of 4.3 ± 2.1 V, compared to 5.5 ± 3.4 V for those without PMMA. Similarly, the sub-threshold swing is more consistent at 6.5 ± 0.9 V/dec with PMMA, versus 6.7 ± 1.1 V/dec without it. The trap density of devices with PMMA is 3.0 × 1012 eV−1cm−2, which is a 75 % reduction compared to devices without PMMA. These results demonstrate a scalable strategy for fabricating high-uniformity PFETs, advancing their applicability in flexible circuits.
聚合物场效应晶体管(pfet)在柔性显示器上有着重要的前景。然而,由于链取向和畴结构的变化而引起的性能不均匀性阻碍了它们的广泛应用。本文通过将Langmuir-Blodgett (LB)技术与聚甲基丙烯酸甲酯(PMMA)共混在排列共聚物dpt - tt半导体层中,优化了电均匀性。LB过程增强分子取向,增强π-π分子间相互作用。并联通道器件的导通电流达到27 μA,比正交通道器件提高了20%。加入PMMA (dpt - tt:PMMA = 1:0.4)优化膜形态后,膜的阈值电压更为均匀,为4.3±2.1 V,而未加入PMMA的膜的阈值电压为5.5±3.4 V。同样,与6.7±1.1 V/dec相比,PMMA在6.5±0.9 V/dec时的亚阈值摆幅更加一致。含有PMMA的器件的陷阱密度为3.0 × 1012 eV−1cm−2,与不含PMMA的器件相比减少了75%。这些结果证明了制造高均匀性pfet的可扩展策略,提高了其在柔性电路中的适用性。
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引用次数: 0
A modular access to N-heterocycle-winged boron-nitrogen multiresonant emitters with narrowband deep-blue emissions 窄频带深蓝发射的n-杂环翼硼氮多谐振发射器的模块化方法
IF 2.6 4区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-28 DOI: 10.1016/j.orgel.2025.107312
Yuhang Fan, Songtao Li, Yuxuan He, Junjie Liu, Zhengyang Bin, Ge Gao
Boron-nitrogen multiresonant thermally activated delayed fluorescence (BN MR-TADF) emitters have attracted widespread attention for high performance organic light-emitting diodes (OLEDs) due to their narrowband emissions and high efficiencies. However, emitters incorporating electron-deficient N-heterocycles are rarely reported and remain largely unexplored because of synthetic challenges under harsh borylation conditions. We present a protection/deprotection strategy using benzyl groups to overcome this restriction to offer a modifiable core molecule HBN, enabling late-stage modular introduction of electron-deficient N-heterocycles to furnish a variety of novel N-heterocycle-winged BN emitters, the HetBN series. It should be noted that a unique sequential two-step debenzylation protocol is developed and must be applied to remove both benzyl groups. As exemplified herein, four emitters, oPyBN, mPyBN, PymBN, and PhTzBN, which are inaccessible via conventional methods, were successfully prepared. They emit deep-blue photoluminescence with fine-tuneable wavelengths below 454 nm, high PLQYs above 90 %, narrow FWHMs under 30 nm, and fast exciton dynamics, demonstrating the beneficial effect of N-heterocycles in fine-tuning the photophysical properties of BN MR-TADF emitters. A preliminary OLED device fabricated with PhTzBN exhibited deep-blue emission at 444 nm with a narrow FWHM of 31 nm (0.19 eV), the Commission Internationale de l’Éclairage (CIE) coordinates of (0.16, 0.08), and a maximum external quantum efficiency (EQE) of 5.2 %. This study paves the way to modular synthesis of innovative N-heterocycle-winged BN MR-TADF emitters.
硼氮多共振热激活延迟荧光(BN MR-TADF)发射器由于其窄带发射和高效率而引起了高性能有机发光二极管(oled)的广泛关注。然而,含有缺电子n杂环的发射体很少被报道,并且由于在苛刻的硼化条件下的合成挑战,在很大程度上仍未被探索。我们提出了一种保护/去保护策略,使用苯基来克服这一限制,提供可修改的核心分子HBN,使后期模块化引入缺电子的n-杂环,以提供各种新型n-杂环带翼BN发射器,HetBN系列。应该指出的是,一个独特的顺序两步脱苄基协议被开发,必须应用于去除两个苄基。如本文所示,成功制备了常规方法无法获得的四种发射体oPyBN、mPyBN、PymBN和PhTzBN。它们发出波长在454nm以下可微调的深蓝色光致发光,plqy在90%以上,fwhm在30nm以下窄,激子动力学快,证明了n -杂环在微调BN MR-TADF发射体的光物理性质方面的有益作用。用PhTzBN制备的OLED器件在444 nm处显示出深蓝色发射,窄频宽为31 nm (0.19 eV),国际委员会Éclairage (CIE)坐标为(0.16,0.08),最大外量子效率(EQE)为5.2%。本研究为新型n -杂环带翼BN MR-TADF发射器的模块化合成铺平了道路。
{"title":"A modular access to N-heterocycle-winged boron-nitrogen multiresonant emitters with narrowband deep-blue emissions","authors":"Yuhang Fan,&nbsp;Songtao Li,&nbsp;Yuxuan He,&nbsp;Junjie Liu,&nbsp;Zhengyang Bin,&nbsp;Ge Gao","doi":"10.1016/j.orgel.2025.107312","DOIUrl":"10.1016/j.orgel.2025.107312","url":null,"abstract":"<div><div>Boron-nitrogen multiresonant thermally activated delayed fluorescence (BN MR-TADF) emitters have attracted widespread attention for high performance organic light-emitting diodes (OLEDs) due to their narrowband emissions and high efficiencies. However, emitters incorporating electron-deficient N-heterocycles are rarely reported and remain largely unexplored because of synthetic challenges under harsh borylation conditions. We present a protection/deprotection strategy using benzyl groups to overcome this restriction to offer a modifiable core molecule <strong>HBN</strong>, enabling late-stage modular introduction of electron-deficient N-heterocycles to furnish a variety of novel N-heterocycle-winged BN emitters, the <strong>HetBN</strong> series. It should be noted that a unique sequential two-step debenzylation protocol is developed and must be applied to remove both benzyl groups. As exemplified herein, four emitters, <strong><em>o</em>PyBN</strong>, <strong><em>m</em>PyBN</strong>, <strong>PymBN</strong>, and <strong>PhTzBN</strong>, which are inaccessible via conventional methods, were successfully prepared. They emit deep-blue photoluminescence with fine-tuneable wavelengths below 454 nm, high PLQYs above 90 %, narrow FWHMs under 30 nm, and fast exciton dynamics, demonstrating the beneficial effect of N-heterocycles in fine-tuning the photophysical properties of BN MR-TADF emitters. A preliminary OLED device fabricated with <strong>PhTzBN</strong> exhibited deep-blue emission at 444 nm with a narrow FWHM of 31 nm (0.19 eV), the Commission Internationale de l’Éclairage (CIE) coordinates of (0.16, 0.08), and a maximum external quantum efficiency (EQE) of 5.2 %. This study paves the way to modular synthesis of innovative N-heterocycle-winged BN MR-TADF emitters.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"145 ","pages":"Article 107312"},"PeriodicalIF":2.6,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144773057","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}
引用次数: 0
Design, synthesis, and photovoltaic performance of regioisomeric D18 – Impact of cross-conjugation on electronic structure and solar cell efficiency 区域异构体D18的设计、合成及光伏性能——交叉共轭对电子结构和太阳能电池效率的影响
IF 2.6 4区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-26 DOI: 10.1016/j.orgel.2025.107309
Kaat Valkeneers , Laura Leten , Sam Gielen , Tom Cardeynaels , Sigurd Mertens , Jochen Vanderspikken , Ruth Theresia Arwani , Adam Marks , Alberto Salleo , Rachith Shanivarasanthe Nithyananda Kumar , Laurence Lutsen , Koen Vandewal , Wouter Maes
The unrivaled structural tunability of organic semiconductors allows to tailor their chemical and physical properties for distinct optoelectronic applications. This is particularly true for push-pull conjugated polymers, in which the (hetero)aromatic monomers, substituents, and side chains can be readily adapted. On the other hand, the impact of isomerization within the polymer backbone remains poorly explored. Here, a novel structural isomer of the state-of-the-art push-pull copolymer D18 is synthesized. This ‘isoD18’ regioisomer shows significantly different optical and electrochemical properties. Its deeper highest occupied molecular orbital energy level and reduced non-radiative voltage losses afford a higher open-circuit voltage (from 0.86 to 0.92 V) for the resulting polymer solar cells. Unfortunately, this is accompanied by a decrease in the short-circuit current density and fill factor, which can mainly be attributed to the one-order-lower hole mobility of isoD18, in line with its reduced thin-film organization. Although the performance of the devices based on the isomeric derivative turns out to be lower in this case, this study does enhance our insights into the effects of regioisomerism in polymer semiconductors on the resulting optoelectronic material and device features.
有机半导体无与伦比的结构可调性允许为不同的光电应用定制其化学和物理特性。对于推拉共轭聚合物尤其如此,其中(杂)芳单体,取代基和侧链可以很容易地适应。另一方面,聚合物主链内异构化的影响仍未得到充分研究。在这里,一个新的结构异构体的最先进的推拉共聚物D18合成。该“isoD18”区域异构体表现出明显不同的光学和电化学性质。其更高的最高已占据分子轨道能级和更低的非辐射电压损失为聚合物太阳能电池提供了更高的开路电压(从0.86到0.92 V)。不幸的是,这伴随着短路电流密度和填充因子的降低,这主要是由于isoD18的空穴迁移率降低了一个数量级,这与它减少的薄膜组织一致。虽然在这种情况下,基于异构体衍生物的器件性能较低,但本研究确实增强了我们对聚合物半导体中区域异构体对所得光电材料和器件特性的影响的见解。
{"title":"Design, synthesis, and photovoltaic performance of regioisomeric D18 – Impact of cross-conjugation on electronic structure and solar cell efficiency","authors":"Kaat Valkeneers ,&nbsp;Laura Leten ,&nbsp;Sam Gielen ,&nbsp;Tom Cardeynaels ,&nbsp;Sigurd Mertens ,&nbsp;Jochen Vanderspikken ,&nbsp;Ruth Theresia Arwani ,&nbsp;Adam Marks ,&nbsp;Alberto Salleo ,&nbsp;Rachith Shanivarasanthe Nithyananda Kumar ,&nbsp;Laurence Lutsen ,&nbsp;Koen Vandewal ,&nbsp;Wouter Maes","doi":"10.1016/j.orgel.2025.107309","DOIUrl":"10.1016/j.orgel.2025.107309","url":null,"abstract":"<div><div>The unrivaled structural tunability of organic semiconductors allows to tailor their chemical and physical properties for distinct optoelectronic applications. This is particularly true for push-pull conjugated polymers, in which the (hetero)aromatic monomers, substituents, and side chains can be readily adapted. On the other hand, the impact of isomerization within the polymer backbone remains poorly explored. Here, a novel structural isomer of the state-of-the-art push-pull copolymer D18 is synthesized. This ‘isoD18’ regioisomer shows significantly different optical and electrochemical properties. Its deeper highest occupied molecular orbital energy level and reduced non-radiative voltage losses afford a higher open-circuit voltage (from 0.86 to 0.92 V) for the resulting polymer solar cells. Unfortunately, this is accompanied by a decrease in the short-circuit current density and fill factor, which can mainly be attributed to the one-order-lower hole mobility of isoD18, in line with its reduced thin-film organization. Although the performance of the devices based on the isomeric derivative turns out to be lower in this case, this study does enhance our insights into the effects of regioisomerism in polymer semiconductors on the resulting optoelectronic material and device features.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"145 ","pages":"Article 107309"},"PeriodicalIF":2.6,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144750227","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}
引用次数: 0
FAPbI3 phase transformation mechanism based on quantum dynamics 基于量子动力学的FAPbI3相变机理
IF 2.7 4区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-23 DOI: 10.1016/j.orgel.2025.107307
Yidong Zhao , Zihe Cao , Yi Yang , Xiaolu Chen , Anyu Jiang , Qiang Lu , Bing Zhang
The research aims to avoid the transformation of α-FAPbI3 with favorable photoelectric conversion performance into a non-perovskite δ-phase that completely loses photoactivity. To this end, it is necessary to understand its structural stability under different conditions and the mechanisms underpinning both the phase transformation and associated inhibition. Firstly, Ab Initio Molecular Dynamics (AIMD) is used to explore the evolution of the crystal structure of α-FAPbI3 across different temperature ranges and space limitations. Results show that space limitation exerts a better inhibitory effect on α-FAPbI3 phase transformation than increasing the temperature. Then, parameters, including the lattice parameters and unit cell angle, are used to analyze the mechanism underlying the difference in the phase transformation process under different conditions. Finally, it is revealed that space limitation can better maintain the presence of an α-FAPbI3 phase when compared with an increase in temperature, thus clarifying the reason for the inhibition of such a phase transformation.
本研究旨在避免具有良好光电转换性能的α-FAPbI3转变为完全失去光活性的非钙钛矿δ相。为此,有必要了解其在不同条件下的结构稳定性以及相变和相关抑制的机制。首先,利用从头计算分子动力学(Ab Initio Molecular Dynamics, AIMD)研究α-FAPbI3晶体结构在不同温度范围和空间限制下的演化。结果表明,空间限制比提高温度对α-FAPbI3相变的抑制效果更好。然后,利用晶格参数和单位胞角等参数分析了不同条件下相变过程差异的机理。最后揭示了空间限制比温度升高更能维持α-FAPbI3相的存在,从而阐明了抑制α-FAPbI3相变的原因。
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引用次数: 0
Effects of thin metal/metal oxide composite modification layer on ITO anode in organic light-emitting diodes 薄金属/金属氧化物复合改性层对有机发光二极管ITO阳极的影响
IF 2.7 4区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-23 DOI: 10.1016/j.orgel.2025.107294
Jing Yi , Ruiting Zhang , Yanfeng Dai , Dongge Ma
The effects of thin metal film gold or silver (Au and Ag) combined with transition metal oxides (TMOs) V2O5 and MoO3 used as composite modification layer on ITO anode in organic light-emitting diodes (OLEDs) were investigated and compared. It was found that incorporating the thin metal film (Au or Ag) with V2O5 (MoO3) modification layer facilitates to improve the hole injection into the hole transport layer (HTL), thereby enhancing the performance of OLEDs. The device with V2O5 -modified thin metal film on ITO exhibited higher electroluminescent (EL) efficiency compared to that with MoO3-modified thin metal film. Specifically, the device with the structure ITO/Au (0.5 nm)/V2O5 (1 nm) achieved a current efficiency of 96 cd/A. The ultraviolet photoelectron spectroscopy (UPS) investigation revealed that ITO/thin metal/V2O5 structure has a higher work function than ITO/thin metal/MoO3, which contributes to the improved hole injection.
研究并比较了金属薄膜金或银(Au和Ag)与过渡金属氧化物(TMOs) V2O5和MoO3复合修饰层对有机发光二极管(oled) ITO阳极的影响。研究发现,将金属薄膜(Au或Ag)与V2O5 (MoO3)改性层相结合,有利于改善空穴注入到空穴传输层(HTL)中,从而提高oled的性能。在ITO表面涂有V2O5修饰金属薄膜的器件比涂有moo3修饰金属薄膜的器件具有更高的电致发光(EL)效率。具体而言,ITO/Au (0.5 nm)/V2O5 (1 nm)结构器件的电流效率为96 cd/ a。紫外光电子能谱(UPS)研究表明,ITO/薄金属/V2O5结构比ITO/薄金属/MoO3结构具有更高的功函数,这有助于改善空穴注入。
{"title":"Effects of thin metal/metal oxide composite modification layer on ITO anode in organic light-emitting diodes","authors":"Jing Yi ,&nbsp;Ruiting Zhang ,&nbsp;Yanfeng Dai ,&nbsp;Dongge Ma","doi":"10.1016/j.orgel.2025.107294","DOIUrl":"10.1016/j.orgel.2025.107294","url":null,"abstract":"<div><div>The effects of thin metal film gold or silver (Au and Ag) combined with transition metal oxides (TMOs) V<sub>2</sub>O<sub>5</sub> and MoO<sub>3</sub> used as composite modification layer on ITO anode in organic light-emitting diodes (OLEDs) were investigated and compared. It was found that incorporating the thin metal film (Au or Ag) with V<sub>2</sub>O<sub>5</sub> (MoO<sub>3</sub>) modification layer facilitates to improve the hole injection into the hole transport layer (HTL), thereby enhancing the performance of OLEDs. The device with V<sub>2</sub>O<sub>5</sub> -modified thin metal film on ITO exhibited higher electroluminescent (EL) efficiency compared to that with MoO<sub>3</sub>-modified thin metal film. Specifically, the device with the structure ITO/Au (0.5 nm)/V<sub>2</sub>O<sub>5</sub> (1 nm) achieved a current efficiency of 96 cd/A. The ultraviolet photoelectron spectroscopy (UPS) investigation revealed that ITO/thin metal/V<sub>2</sub>O<sub>5</sub> structure has a higher work function than ITO/thin metal/MoO<sub>3</sub>, which contributes to the improved hole injection.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"145 ","pages":"Article 107294"},"PeriodicalIF":2.7,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696968","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}
引用次数: 0
Mem-capacitance enabled volatile switching in Dopamine@Agarose-based devices Dopamine@Agarose-based器件中memo电容使能的易失性开关
IF 2.7 4区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-07-19 DOI: 10.1016/j.orgel.2025.107305
Swarali K. Joshi , Trishala Desai , Kasturi A. Rokade , Omkar Y. Pawar , Omkar A. Patil , Akash V. Fulari , Sunil S. Nirmale , Rajanish K. Kamat , Chitra Gurnani , Sooman Lim , Tukaram D. Dongale
The development of biocompatible, environmentally friendly, and low-cost functional switching materials for memory and synaptic learning devices has gained importance in recent years. Dopamine is a naturally occurring biomaterial that has been used in various fields. In the present study, dopamine@agarose was used as a switching layer, sandwiched between Ag top and FTO bottom electrodes to form the Ag/dopamine@agarose/FTO device. The agarose was utilized due to its natural polymeric properties and its functionality as a binder. The switching layer was characterized using UV–vis spectroscopy, Fourier transform infrared spectroscopy, atomic force microscopy, and field emission scanning electron microscopy. The non-pinched hysteresis curve revealed the mem-capacitive behaviour of the device, which was corroborated using electrochemical and frequency-dependent capacitance-voltage studies. The charge-flux properties depicted the non-ideal memristor nature of the device. Furthermore, the cumulative probability and Weibull distribution were studied to understand the switching variability. The fabricated device demonstrates a stable multilevel volatile memory effect over 15000 cycles. The results assert that dopamine can be a potential candidate for developing sustainable volatile memory devices.
近年来,开发具有生物相容性、环境友好性和低成本的功能开关材料用于记忆和突触学习装置已变得越来越重要。多巴胺是一种天然存在的生物材料,已被用于各个领域。在本研究中,使用dopamine@agarose作为开关层,夹在Ag顶部和FTO底部电极之间,形成Ag/dopamine@agarose/FTO器件。琼脂糖由于其天然的聚合特性和作为粘合剂的功能而被利用。利用紫外-可见光谱、傅里叶变换红外光谱、原子力显微镜和场发射扫描电镜对开关层进行了表征。非压缩迟滞曲线揭示了器件的mem电容行为,这是通过电化学和频率相关的电容电压研究证实的。电荷通量特性描述了器件的非理想忆阻特性。此外,还研究了累积概率和威布尔分布来理解开关的可变性。该器件在15000个周期内具有稳定的多电平易失性存储效应。结果表明,多巴胺可能是开发可持续易失性记忆装置的潜在候选者。
{"title":"Mem-capacitance enabled volatile switching in Dopamine@Agarose-based devices","authors":"Swarali K. Joshi ,&nbsp;Trishala Desai ,&nbsp;Kasturi A. Rokade ,&nbsp;Omkar Y. Pawar ,&nbsp;Omkar A. Patil ,&nbsp;Akash V. Fulari ,&nbsp;Sunil S. Nirmale ,&nbsp;Rajanish K. Kamat ,&nbsp;Chitra Gurnani ,&nbsp;Sooman Lim ,&nbsp;Tukaram D. Dongale","doi":"10.1016/j.orgel.2025.107305","DOIUrl":"10.1016/j.orgel.2025.107305","url":null,"abstract":"<div><div>The development of biocompatible, environmentally friendly, and low-cost functional switching materials for memory and synaptic learning devices has gained importance in recent years. Dopamine is a naturally occurring biomaterial that has been used in various fields. In the present study, dopamine@agarose was used as a switching layer, sandwiched between Ag top and FTO bottom electrodes to form the Ag/dopamine@agarose/FTO device. The agarose was utilized due to its natural polymeric properties and its functionality as a binder. The switching layer was characterized using UV–vis spectroscopy, Fourier transform infrared spectroscopy, atomic force microscopy, and field emission scanning electron microscopy. The non-pinched hysteresis curve revealed the mem-capacitive behaviour of the device, which was corroborated using electrochemical and frequency-dependent capacitance-voltage studies. The charge-flux properties depicted the non-ideal memristor nature of the device. Furthermore, the cumulative probability and Weibull distribution were studied to understand the switching variability. The fabricated device demonstrates a stable multilevel volatile memory effect over 15000 cycles. The results assert that dopamine can be a potential candidate for developing sustainable volatile memory devices.</div></div>","PeriodicalId":399,"journal":{"name":"Organic Electronics","volume":"145 ","pages":"Article 107305"},"PeriodicalIF":2.7,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144687137","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}
引用次数: 0
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Organic Electronics
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