Dyes and Pigments最新文献

{"title":"Halogen-enhanced highly efficient organic room temperature phosphorescent materials: Design, theoretical insights and applications","authors":"Jinghe Weng,&nbsp;Shenggui Wen,&nbsp;Fengxian Liang,&nbsp;Yuyi Li,&nbsp;Xinran Cui,&nbsp;Xueming Li","doi":"10.1016/j.dyepig.2025.112939","DOIUrl":"10.1016/j.dyepig.2025.112939","url":null,"abstract":"<div><div>In this work, a series of high-efficiency organic room-temperature phosphorescent (RTP) materials were developed by incorporating designed 7-(4-iodophenyl)-7H-dibenzo [<em>c,g</em>]carbazole (<strong>DB-NCzI</strong>) and 7-(4-iodophenyl)-7H-benzo [<em>c</em>]carbazole (<strong>DB-BCzI</strong>) as guest molecules into a rigid dibromobiphenyl derivatives (<strong>DBBPs</strong>) host matrix. The <strong>o-DBBP</strong>-based system exhibited superior RTP performance, with a phosphorescence lifetime of 408.05 ms and a quantum yield of 45.40 %. Single-crystal analysis and theoretical studies revealed abundant C–Br⋯Br–C and C–H⋯Br noncovalent interactions, and a unique staggered packing structure with bifurcated halogen bonds in <strong>o-DBBP</strong> that enhanced intermolecular rigidity and triplet exciton confinement. TD-DFT calculations further demonstrated that <strong>DB-NCzI</strong> features multiple efficient intersystem crossing (ISC) channels and large spin–orbit coupling (SOC) constants, contributing to enhanced RTP emission. The materials were successfully applied in time-resolved anti-counterfeiting and information encryption, showing great potential for security applications.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"242 ","pages":"Article 112939"},"PeriodicalIF":4.1,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144243225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Polycyclic 1,2,5-chalcogenadiazole dyes: structural, optical, and redox properties in neutral and radical-ion states (chalcogen = S, Se)","authors":"Ekaterina A. Radiush ,&nbsp;Vladislav M. Korshunov ,&nbsp;Elena A. Chulanova ,&nbsp;Lidia S. Konstantinova ,&nbsp;Alexey I. Ferulev ,&nbsp;Irina G. Irtegova ,&nbsp;Inna K. Shundrina ,&nbsp;Ekaterina A. Frank ,&nbsp;Nikolay A. Semenov ,&nbsp;Ilya V. Taidakov ,&nbsp;Oleg A. Rakitin ,&nbsp;Leonid A. Shundrin ,&nbsp;Andrey V. Zibarev","doi":"10.1016/j.dyepig.2025.112922","DOIUrl":"10.1016/j.dyepig.2025.112922","url":null,"abstract":"<div><div>Neutral <strong>M</strong> and radical-ion [<strong>M</strong>]^·– and [<strong>M</strong>]^·+ states of phenanthro- (<strong>1</strong>, <strong>2</strong>)/dibenzoquinoxalino- (<strong>3</strong>, <strong>4</strong>) fused 1,2,5-chalcogenadiazoles are studied; chalcogen = S (<strong>1</strong>, <strong>3</strong>), Se (<strong>2</strong>, <strong>4</strong>). Experimentally, <strong>1</strong>–<strong>4</strong> are characterized by simultaneous thermogravimetry – differential scanning calorimetry, spectroelectrochemistry and optical (UV–Vis–NIR/FL) spectroscopy, <strong>2</strong>–<strong>4</strong> by cyclic voltammetry (CV) for reduction and oxidation, and [<strong>M</strong>]^·– by electron paramagnetic resonance ([<strong>M</strong>]^·+ were not detected). Compounds <strong>3</strong>, <strong>4</strong> and [<strong>M</strong>]^·– (in the form of [K(18-crown-6)]⁺ salts; <strong>M</strong> = <strong>1</strong>, <strong>3</strong>) are characterized by X-ray diffraction (all are planar), and [<strong>M</strong>]^·– (<strong>M</strong> = <strong>1</strong>–<strong>4</strong>) by UV–Vis–NIR. Theoretically, <strong>M</strong> and [<strong>M</strong>]^·– (<strong>M</strong> = <strong>1</strong>–<strong>4</strong>) are specified by density functional theory (DFT) calculations. As compared with the archetypal 2,1,3-benzothiadiazole (<strong>5</strong>), in <strong>1</strong>–<strong>4</strong> the π-extension and replacement of S by Se jointly lead to increase of DFT adiabatic electron affinity (0.8 → 2.1 eV), decrease of the absolute values of CV potentials (−1.5 → −0.5 V), broadening and bathochromic shifts of UV–Vis (∼310 → ∼420 nm) and FL (∼380 → ∼470 nm) bands. DFT adiabatic ionization energy of <strong>1</strong>–<strong>4</strong> of ∼7.9 eV is invariant to their structure (<strong>5</strong>: 8.7 eV). FL spectra of <strong>1</strong>–<strong>4</strong> exhibit small Stokes shifts; and those of <strong>2</strong> and <strong>3</strong>, vibronic structures. The estimated excited-state lifetime τ₁ is ∼1 ns (ns) for <strong>3</strong> and <strong>4</strong>, and ∼2 ns for <strong>2</strong>, while long-time component τ₂ is ∼9 ns for <strong>2</strong> and ∼7 ns for <strong>3</strong>. The findings suggest that <strong>1</strong>–<strong>4</strong> are promising organic π-dyes/non-fullerene electron acceptors for small-molecule optoelectronics.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"242 ","pages":"Article 112922"},"PeriodicalIF":4.1,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144242792","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 organic solar cells achieved by multi-deuterium substituted A-D-A-type small molecule acceptors","authors":"Tianyi Zhao ,&nbsp;Shujuan Liu ,&nbsp;Ruike Zhou ,&nbsp;Xiaoyu Zhang ,&nbsp;Zezhou Liang ,&nbsp;Jiahao Liu ,&nbsp;Wanting Yao ,&nbsp;Biao Xiao ,&nbsp;Weiping Wang ,&nbsp;Zhiyuan Cong ,&nbsp;Baofeng Zhao ,&nbsp;Haimei Wu ,&nbsp;Yuchen Zhou ,&nbsp;Chao Gao","doi":"10.1016/j.dyepig.2025.112930","DOIUrl":"10.1016/j.dyepig.2025.112930","url":null,"abstract":"<div><div>Due to the advantages offered by A-D-A and A-DA'D-A type small molecule acceptors (SMAs), the photovoltaic performance of organic solar cells (OSCs) has made tremendous progress, with power conversion efficiencies (PCEs) exceeding 20 % in many material systems. However, as non-radiative recombination energy losses (<em>ΔE</em>_nr) in OSCs result in a lower open circuit voltage (<em>V</em>_OC), it remains a challenge to further improve the PCE of OSCs. To address this issue, the typical A-D-A-type small molecular acceptor ITIC was used as the model molecule, and two multi-substituted ITIC derivatives, <strong>ITIC-d16</strong> and <strong>ITIC-d18</strong>, having 16 and 18 deuterium atoms respectively, were synthesized. The aim was to improve the luminescence performance of the materials to reduce the <em>ΔE</em>_nr and improve the performance of OSCs. Compared to ITIC, the two deuterated SMAs showed unchanged absorption spectra and molecular energy levels. Blended with PBDB-T, the optimized <strong>ITIC-d16</strong> device, demonstrated enhanced <em>V</em>_<em>OC</em> (0.909 V) and the highest electroluminescence quantum efficiency (<em>EQE</em>_EL) of 8.0 × 10⁻⁶, exhibiting the smallest <em>ΔE</em>_nr of 0.304 eV. This resulted in the best PCE of 10.62 %. In comparison, the ITIC-based device exhibited a <em>V</em>_OC of 0.902 V and a PCE of 10.16 %, accompanied by a slightly elevated <em>ΔE</em>_<em>nr</em> of 0.312 eV. However, due to the unsatisfactory generation of excitons, the <strong>ITIC-d18</strong> device exhibited simultaneously decreased <em>V</em>_OC, short-circuit current (<em>J</em>_SC), and fill factor (FF), leading to the lowest PCE of 9.85 %. The results of our study suggest that side-chain multi-deuterium substituted SMAs may offer a promising strategy for reducing energy loss and enhancing the performance of OSCs.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"242 ","pages":"Article 112930"},"PeriodicalIF":4.1,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144212315","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 application of HBT based probes: achieving color changing function and drug release through cascade reaction and photoactivation","authors":"Wenyun Pan ,&nbsp;Yuyu Yang ,&nbsp;Qiao Liang ,&nbsp;Fei Zhang ,&nbsp;Qianshan Shao ,&nbsp;Chunxiao Li ,&nbsp;Zhengxi Hu ,&nbsp;Guang Chen ,&nbsp;Baolei Fan","doi":"10.1016/j.dyepig.2025.112923","DOIUrl":"10.1016/j.dyepig.2025.112923","url":null,"abstract":"<div><div>Cell fluorescence visualization is a promising method for disease detection, which can realize dynamic monitoring of living cells and provide the possibility for early diagnosis and treatment of diseases. However, most probes have low targeting and lack precision. Dual recognition strategy uses two biomarkers as trigger factors, which can improve the specificity and accuracy of diagnosis and treatment. In this paper, cell fluorescence technology is combined with this strategy, and a photosensitive drug-release probe (MUS-AOR), also referred to as “Light-Sensitive Probe”, is reported. It is activated by the cascade reaction of hydrogen peroxide tyrosinase (H₂O₂-Tyr.) and excited by light energy in a specific range (<em>hν</em> ≥ 410 nm), which can separate the probe molecule from the carried drug and achieve the targeted drug delivery process. In this process, the fluorescence changes blue-green and returns to blue after photoexcitation to release the drug. The color-changing function allows the recognition process to be more visible, enabling real-time monitoring of drug release information, preventing excessive hydrogen peroxide, detecting tyrosinase abnormalities, and optimizing the storage and release of anticancer drugs. Notably, the probe has a low detection limit (0.0041 U/mL) and also demonstrated strong phototoxicity in breast tumor cells, and we hope that this breakthrough can improve early detection and personalized treatment of breast cancer.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"242 ","pages":"Article 112923"},"PeriodicalIF":4.1,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144522092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tetraphenylethylene-connected monoquaternized 4-(4-pyridyl)pyridinium: A colorimetric probe for detecting trace amounts of water in organic solvents","authors":"Karolin P. Jose ,&nbsp;R. Rameshbabu Priyadharsan ,&nbsp;Kamalanathan Chidambaranathan ,&nbsp;Subramanian Karthikeyan ,&nbsp;Savarimuthu Philip Anthony ,&nbsp;Vedichi Madhu","doi":"10.1016/j.dyepig.2025.112926","DOIUrl":"10.1016/j.dyepig.2025.112926","url":null,"abstract":"<div><div>Tetraphenylethylene (TPE) and triphenylamine (TPA) electron donor attached mono-quaternized 4-(4-pyridyl)pyridinium derivatives, (1-(2-oxo-2-(4-(1,2,2-triphenylvinyl)phenyl)ethyl)-[4,4′-bipyridin]-1-ium bromide (<strong>TPE-MQ</strong>) and 1-(2-(4-(diphenylamino)phenyl)-2-oxoethyl)-[4,4′-bipyridin]-1-ium bromide (<strong>TPA-MQ</strong>) were synthesized and investigated the role of TPE/TPA in tuning their optical properties. Both <strong>TPE-MQ</strong> and <strong>TPA-MQ</strong> showed strong intramolecular charge transfer (ICT), which was confirmed through HOMO/LUMO calculations and solvent polarity dependent absorption studies. Interestingly, the acidic methylene of <strong>TPE-MQ</strong> was found to be highly sensitive to water compared to <strong>TPA-MQ</strong>. Even trace amounts of water in organic solvents acted as nucleophiles, leading to keto-enol formation and intense color due to enhanced π-conjugation. In contrast, <strong>TPA-MQ</strong> did not display any color or absorption changes in the presence of water. The water-induced structural conversion from keto to enol form was confirmed using ¹H NMR analysis. Further, <strong>TPE-MQ</strong> colorimetric probe displayed clear color changes in presence of trace amounts of water in polar protic, aprotic, and non-polar solvents. Thus, the present study developed a simple naked-dye detecting colorimetric probe for sensing trace amount of water in organic solvents including commercial solvents.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"242 ","pages":"Article 112926"},"PeriodicalIF":4.1,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144212317","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Laccase-catalyzed polymerization of syringic acid for eco-friendly cotton dyeing: Mechanism, optimization, and multifunctional performance","authors":"Dan Wang ,&nbsp;Yawen Wang ,&nbsp;Yang Chen ,&nbsp;Nawon Baek ,&nbsp;Ruofei Zhu","doi":"10.1016/j.dyepig.2025.112924","DOIUrl":"10.1016/j.dyepig.2025.112924","url":null,"abstract":"<div><div>With the growing emphasis on environmental sustainability, the development of eco-friendly dyeing and finishing processes has become a focal point of research worldwide. In this study, cotton fabric was selected as the substrate, chitosan was employed as a modifier, and laccase was utilized to catalyze the polymerization of syringic acid, leading to the formation of colored polymers. This approach innovatively integrated monomer polymerization, fabric dyeing, and functional finishing into a single process. The structural characteristics of the polymerized products were analyzed using UV–Visible spectroscopy, Fourier transform infrared spectroscopy, and mass spectrometry, and the polymerization mechanism was systematically elucidated. The dyeing performance of the fabrics was evaluated based on K/S values, color fastness, and fiber surface morphology, while different dyeing methods were compared and optimized reaction conditions were determined. Additionally, the mechanical and functional properties of the dyed fabrics were investigated. Molecular dynamics simulations were employed to analyze the affinity and interaction modes between chitosan and the colored polymers. The results revealed that under laccase catalysis, syringic acid monomers underwent dehydrogenation, forming phenoxy (Ph-O) and phenyl (Ph-Ph) linkages, leading to the synthesis of polysyringic acid (PSA) with distinct coloration. Notably, Ph-Ph-linked PSA exhibited a stronger affinity with chitosan, primarily via C<img>N bonding. Furthermore, the one-step dyeing process proved superior performance compared to the two-step process, yielding fabrics with uniform coloration, high color depth (K/S = 11.57), excellent color fastness (grade 4–5), and enhanced mechanical properties relative to undyed cotton fabrics. Moreover, the dyed fabrics demonstrated outstanding antioxidant, ultraviolet resistance, and antibacterial properties. This study provides a theoretical foundation and technical support for the advancement of green and sustainable dyeing and finishing technologies.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"241 ","pages":"Article 112924"},"PeriodicalIF":4.1,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144185087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Panchromatic fluorescent tunable waterborne polyurethanes based on Eu(III), Tb(III) and Zn(II) complexes","authors":"Yuqing Yang ,&nbsp;Shicong Pei ,&nbsp;Mingdi Yang ,&nbsp;Kehua Zhang ,&nbsp;Jie Jin ,&nbsp;Yunsheng Ding ,&nbsp;Xianhai Hu","doi":"10.1016/j.dyepig.2025.112925","DOIUrl":"10.1016/j.dyepig.2025.112925","url":null,"abstract":"<div><div>Full-color fluorescent tunable materials have attracted much attention due to their broad application prospects in fields such as lighting, display devices, and biological imaging. However, it remains challenging to prepare environmentally friendly full-color fluorescent tunable materials through simple and efficient methods. Herein, a series of amino-functionalized complexes were synthesized, and, via covalent bonding, a color-tunable waterborne polyurethane system (WPU-Eu_1-x-yTb_xZn_y) was developed, exhibiting both full-color and white fluorescence. In addition, due to the inherent differences in the ultraviolet absorption properties of each complex, the emission color can be further adjusted by changing the excitation wavelength. This dual mechanism enables both preset and dynamic color adjustments, providing various possibilities for applications such as anti-counterfeiting and display technologies. More importantly, WPU-Eu_1-x-yTb_xZn_y uses water as a dispersant, has a low VOC content, and is particularly safe and environmentally friendly.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"242 ","pages":"Article 112925"},"PeriodicalIF":4.1,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144212316","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Four Anderson-type POM-based viologen compounds for information encryption and food freshness detection","authors":"Yuhan Yang ,&nbsp;Tao Liu ,&nbsp;Fuze Sun ,&nbsp;Jun Ying ,&nbsp;Aixiang Tian ,&nbsp;Mengle Yang","doi":"10.1016/j.dyepig.2025.112917","DOIUrl":"10.1016/j.dyepig.2025.112917","url":null,"abstract":"<div><div>In this paper, Anderson-type polyoxometalates (POMs) were combined with a viologen ligand to synthesize four compounds under solvothermal conditions, namely (1,3–bcbby)₃·(TeMo₆O₂₄)⋅5H₂O (<strong>1</strong>),(1,3–bcbby)·[M₂(H₂O)₆TeMo₆O₂₄] (<strong>2</strong>: M = Zn; <strong>3</strong>: M = Ni; <strong>4</strong>: M = Cu) (1,3-bcbby·2Cl = 1,1′-bis(3-carboxybenzyl)-4,4′-bipyridine dichloride). Compound <strong>1</strong> forms one-dimensional supramolecular chains and two-dimensional supramolecular layers through hydrogen bondings. Isomorphic compounds <strong>2−4</strong> form one-dimensional inorganic chains through covalent bonds between metal ions and POMs, which were then organized into two-dimensional layered structures through hydrogen bondings. All four compounds can be used as color-changing materials. Among them, compounds <strong>1</strong> and <strong>2</strong> exhibit pronounced reversible photochromic properties under a xenon lamp irradiation, while compounds <strong>3</strong> and <strong>4</strong> show good thermochromic properties. Capitalizing on the prompt response of compounds <strong>1</strong> and <strong>2</strong> to ultraviolet light, they are utilized on filter paper for application in ink-free erasable printing. Additionally, when these four compounds are exposed to atmospheres containing ammonia, ethylenediamine or diethylenetriamine, they exhibit distinct color changes. Based on this character, compound <strong>2</strong> was formulated into a portable amine detection strip, which can detect the freshness of pork in real-time through color changes of the detection strip.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"241 ","pages":"Article 112917"},"PeriodicalIF":4.1,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Julolidine-fused biscoumarin derivatives as emitters for solution-processable electroluminescent devices","authors":"Yongchun Guo ,&nbsp;Tianzhi Yu ,&nbsp;Yuling Zhao ,&nbsp;Minghu Han ,&nbsp;Di Zhang ,&nbsp;Wenming Su","doi":"10.1016/j.dyepig.2025.112920","DOIUrl":"10.1016/j.dyepig.2025.112920","url":null,"abstract":"<div><div>Julolidinyl group can facilitate the overlap of the p-orbital of the nitrogen atom with its adjacent phenyl ring, and thus can improve the strength of electron-donating groups for enhancing optoelectronic properties of the materials. In this work, two new tetramethyljulolidine-fused biscoumarins, <strong>JCC-Cz</strong> and <strong>JCC-2Cz</strong>, were synthesized as the organic emitters for organic light-emitting diodes. Their photophysical and electrochemical properties and thermal stability were investigated systematically. The tetramethyljulolidine-fused biscoumarins exhibited significant bathochromic shift of both absorption and emission maxima in solution and thin films and were accompanied by increase in the fluorescence quantum yields in comparison with the diethylamine-substituted biscoumarin analogues. Using different host materials, the doped devices based on <strong>JCC-Cz</strong> and <strong>JCC-2Cz</strong> as the emitting materials were fabricated by solution-processing the emitting layers to investigated their electroluminescence (EL) performances. In the doped devices using a blend of PVK:PBD as the mixed host material, the devices of <strong>JCC-Cz</strong> and <strong>JCC-2Cz</strong> exhibited orange emission with a maximum external quantum efficiency (EQE_max) of 2.08 % for <strong>JCC-Cz</strong> and 2.43 % for <strong>JCC-2Cz</strong>. In the doped devices using mCP as the host material, the device of <strong>JCC-Cz</strong> with the doping concentration of 5 wt% showed near white emission with a maximum luminance (L_max) of 501 cd/m² and a maximum external quantum efficiency (EQE_max) of 2.24 % and CIE of (0.35, 0.38).</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"241 ","pages":"Article 112920"},"PeriodicalIF":4.1,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Substrate-induced crystallization of the conjugated polymer TQ1: Theoretical prediction, nucleation and growth style identification through single chain resolved structures and crystallization kinetics analysis","authors":"Xiao-Min Zhang ,&nbsp;Shan Bai ,&nbsp;Qing-Dao Zeng ,&nbsp;Zhi-Yong Yang","doi":"10.1016/j.dyepig.2025.112921","DOIUrl":"10.1016/j.dyepig.2025.112921","url":null,"abstract":"<div><div>For both the applications and fundamental sciences of polymers, crystallization of the polymer layer adsorbing directly on solid substrate (adlayer) is crucially important, but its complicate mechanisms and kinetics remain disputable. The evidences at molecular level are great valuable for clarifying these discussions. The substrate-induced crystallization of the glassy adlayer of conjugated polymer TQ1 was predicted through the density functional theory (DFT) calculations and monitored through the molecular-level observations of scanning tunneling microscopy (STM). The STM micrographs disclose the nucleation and growth styles of TQ1 lamella including nucleation through the adjustment of local part of polymer chains, lamella widening through the chain attachment to the growing front and thickening through the gradual linearization of TQ1 backbones which causes the wedge shape of TQ1 lamellae, termination of the lamella thickening by the chain folding or extra free volume because of the existence of short chains. The DFT calculations further reveal that the energy barrier for lamella thickening comes mainly from the conformation changing of quinoxaline groups. Furthermore, the crystallization kinetics were unveiled in detail by the changing tendency of crystallinity, lamella thickness and width. At the initial stage, crystallization is very efficient and its kinetics can be rationalized with the Arrhenius equation. The crystallization process in this period is dominated by the surface diffusion of TQ1 chains to the growing front of lamella. After this stage, crystallization experiences a slow fluctuation increment to the maximum value then begins to decline, which may be caused by the multiple physical processes and cannot be rationalized simply with one model currently. The results here provide direct molecular-level evidences for understanding the complicate crystallization processes of polymer adlayers and fundamental supports for developing high performance polymer electronics.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"242 ","pages":"Article 112921"},"PeriodicalIF":4.1,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144212318","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}