Dyes and Pigments最新文献

{"title":"Enhancing a dual anion chemosensor through structural modifications: Theoretical insights to tune their optical properties","authors":"Manuel A. Treto Suárez ,&nbsp;Yoan Hidalgo Rosa ,&nbsp;Karel Mena Ulecia ,&nbsp;Ximena Zarate ,&nbsp;Eduardo Schott","doi":"10.1016/j.dyepig.2026.113600","DOIUrl":"10.1016/j.dyepig.2026.113600","url":null,"abstract":"<div><div>The development of optical chemosensors for anion detection has grown rapidly in recent years; however, dual-anion sensors remain scarce, and many reported systems rely on UV excitation, limiting their applicability under environmental conditions. In this work, we present a comprehensive theoretical protocol to elucidate the photophysical and transduction mechanisms of a reported dual-anion sensor based on 1,2-dihydroquinoline-3-carbaldehyde functionalized with benzothiazole-2-acetonitrile (D2-CH₃). Ground-state (S₀) and excited-state (singlet and triplet) properties were investigated using time-dependent density functional theory (TD-DFT), complemented by multiconfigurational post-Hartree–Fock calculations at the CASSCF/NEVPT2 level. The parent sensor exhibits colorimetric and fluorometric responses toward AsO₂⁻ and CN⁻, which are rationalized in terms of metal-to-ligand charge transfer (MLCT) and chelation-enhanced fluorescence (CHEF) mechanisms, respectively. Building on this mechanistic understanding, eleven new candidate sensors were theoretically designed and analyzed through three functionalization strategies: substitution at the dihydroquinoline unit (<strong>D2-R</strong>), the benzothiazole unit (<strong>B2-R</strong>), or both (<strong>DB2-R</strong>), using R = –CH₃, –NH₂, –SH, and –OH. The free sensors and their interactions with AsO₂⁻, CN_-, and OH_- were systematically examined. Simulated absorption and emission spectra, oscillator strengths, electron-transfer and radiative kinetic parameters, interaction energy analyses, and structural stability assessments collectively reveal the relationships between molecular structure, transduction mechanisms, and optical response. The results demonstrate that moderately electron-donating substituents effectively shift absorption into the visible region without compromising dual-anion selectivity. All proposed systems are predicted to selectively detect CN⁻ via a CHEF mechanism, while four candidates (<strong>D2-OH</strong>, <strong>D2-SH</strong>, <strong>B2-SH</strong>, and <strong>B2–NH₂</strong>) are identified as promising UV-free dual-anion sensors. Overall, this work establishes a robust theoretical framework to guide the rational design of next-generation dual-anion optical sensors with improved visible-light performance.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"249 ","pages":"Article 113600"},"PeriodicalIF":4.2,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090501","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":"High-sensitivity detection of Sulfites/Hydrosulfites: Recent advances in small-molecule fluorescent probes","authors":"Yu-jie Zhang,&nbsp;Linke Li,&nbsp;Ying-ying Chen","doi":"10.1016/j.dyepig.2026.113603","DOIUrl":"10.1016/j.dyepig.2026.113603","url":null,"abstract":"<div><div>Sulfur dioxide (SO₂), a key member of the reactive sulfur family, is an important gaseous signaling molecule that plays a critical role in various physiological and pathological processes. In biological systems, The two main forms of SO₂ in biological systems are sulfate (SO₃²⁻) and bisulfite (HSO₃⁻). Abnormal concentrations of these compounds are closely associated with several diseases, including lung injury, cancer, and respiratory disorders. In recent years, SO₃²⁻ and HSO₃⁻ have gained prominence as research issues in chemical biology and sensor technology due to their important role in redox signaling and their association with many disease processes. Small-molecule fluorescent probes have emerged as crucial tools for the sensitive and precise detection of these reactive sulfur species. Their high sensitivity, excellent spatial and temporal resolution, and good biocompatibility allow for real-time visualization of active molecules within living systems. In this context, various fluorescent probes targeting SO₃²⁻/HSO₃⁻ have been developed using specific recognition mechanisms. These probes have been effectively utilized to investigate the distribution, dynamic changes, and biological functions of these reactive species at both the single-cell level and throughout whole organisms. To provide a comprehensive understanding of the characteristics of these small-molecule fluorescent probes reported in the past five years, this review summarizes their design strategies, detection mechanisms and biological applications. Importantly, we aim for this review to contribute to the development of a new generation of high-quality fluorescent probes for monitoring SO₃²⁻/HSO₃⁻ fluctuations in biological systems.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"249 ","pages":"Article 113603"},"PeriodicalIF":4.2,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090498","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":"Benzothiazolium based BODIPY derivative as efficient fluorescence switch offering on-off-on signal for the detection of heparin and protamine","authors":"Manoj K. Choudhary ,&nbsp;Mousumi Hazra ,&nbsp;Saugata Hazra ,&nbsp;Soumyaditya Mula ,&nbsp;Goutam Chakraborty","doi":"10.1016/j.dyepig.2026.113589","DOIUrl":"10.1016/j.dyepig.2026.113589","url":null,"abstract":"<div><div>Heparin (Hp), a highly negatively charged polysaccharide, plays a key role in regulating blood coagulation and is widely used as an anticoagulant in clinical settings. However, its use demands precise monitoring to avoid complications that arise from its excessive levels. To address this, there is a pressing need for a rapid, label-free, and straightforward method to accurately measure heparin concentrations. In this study, we developed a novel fluorometric sensing technique using Benzothiazoliun based BODIPY derivative (BTB) for precise Hp detection. Upon interaction with polyanionic Hp through strong electrostatic interaction, BTB forms aggregates, which diminish the photoemission efficiency of the dye to a significant extent. The change in emission intensity at ∼593 nm for BTB produces a fluorometric signal with a linear response up to 3.7 μM of Hp, allowing detection of Hp down to 12.03 nM in water. This optical response has been found to be highly specific to Hp, unaffected by other potential interferents in complex biological matrices, making it a reliable tool for Hp quantification in biofluids such as fetal bovine serum (FBS) and human urine with excellent efficiency. Furthermore, the BTB-Hp system is highly sensitive to the ionic strength of the medium, enabling its use in detecting protamine (Pr) down to 6.85 nM via fluorescence “Off-On” method. This fluorometric approach ensures high accuracy due to its reproducibility, resistance to environmental variations, and applicability over a broad pH range. Detailed spectroscopic studies along with quantum chemical calculation reveal the sensing mechanism of heparin and protamine, opening new possibilities for advanced biosensing applications.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"249 ","pages":"Article 113589"},"PeriodicalIF":4.2,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090494","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":"Thermo-optical characterization and antimicrobial evaluation of chitosan/anthocyanin-blend films for potential applications in functional food packaging","authors":"Anna C.M. Cintra ,&nbsp;Lívia M.M. de Barros ,&nbsp;Teófanes B. Serna ,&nbsp;Dora G. Felipe ,&nbsp;Laila A.A. Teófilo ,&nbsp;Lara R. Gomes ,&nbsp;Belchiolina B. Fonseca ,&nbsp;Acácio A. Andrade ,&nbsp;Viviane Pilla","doi":"10.1016/j.dyepig.2026.113609","DOIUrl":"10.1016/j.dyepig.2026.113609","url":null,"abstract":"<div><div>This work evaluated the characteristics of a fluorescent chitosan-based biopolymer blended with anthocyanin, aiming to promote the development of biofilms for functional food packaging. The thermo-optical parameters of the chitosan/anthocyanin blend films were determined using the mode-mismatched pump-probe thermal lens (TL) technique. The fluorescence spectra and time-resolved fluorescence measurements corroborated the TL results. Chitosan films with different weight ratios of anthocyanin/chitosan (wt_Anth/wt_Chi between 0 and 2.73) were prepared for potential applications in food encapsulation and functional packaging. The photophysical parameters of thermal diffusivity (<em>D</em>), fluorescence quantum efficiency (<em>η</em>), and fluorescence lifetime (<em>τ</em>) were determined. Both <em>D</em> and <em>τ</em> decreased by approximately 40 % with increasing concentrations of the natural dye incorporated into the biofilms. The antifungal activity of the chitosan/anthocyanin coatings (wt_Anth/wt_Chi between 0 and 13.33) was monitored on minimally processed strawberries for over 19 days, along with the visual aspects and shelf life of the treated strawberries. Furthermore, the antibacterial efficacy of the coatings developed from biopolymers and natural dyes against <em>S. aureus</em> and <em>E. coli</em> was evaluated. Promising results were achieved regarding the inhibition of <em>S. aureus</em> growth with an acidified chitosan/anthocyanin blend coating (16.3 mm halo vs. 21 mm with the positive control gentamicin), highlighting their potential as alternatives to conventional food packaging and as tools for improving food safety.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"249 ","pages":"Article 113609"},"PeriodicalIF":4.2,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090492","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":"Structure–property correlations in terbium complexes: Influence of 1,10-phenanthroline substituents and fluorinated β-diketones on green emission","authors":"Sonia Redhu ,&nbsp;Devender Singh ,&nbsp;Kapeesha Nehra ,&nbsp;Anjli Hooda ,&nbsp;Sumit Kumar ,&nbsp;Rajender Singh Malik ,&nbsp;Parvin Kumar ,&nbsp;Jayant Sindhu","doi":"10.1016/j.dyepig.2026.113620","DOIUrl":"10.1016/j.dyepig.2026.113620","url":null,"abstract":"<div><div>Octacoordinated terbium complexes were synthesized by mixing a 4,4,4-trifluoro-1-phenyl-1,3-butanedione with ancillary ligands in a 3:1:1 M ratio. The effects of 1,10-phenanthroline and its derivatives on the optoelectronic properties of the complexes were studied. Structural characteristics of the complexes were elucidated through a combination of elemental analysis, infrared (IR) spectroscopy and proton nuclear magnetic resonance (¹H NMR) spectroscopy. Absorption studies and cyclic voltammetry experiments demonstrated applications of these complexes in semiconducting materials. Thermogravimetric analysis confirmed their thermal stability. Emission spectra recorded under various excitation wavelengths revealed tunability in the CIE color coordinates. Green luminescence observed in the P1<strong>–</strong>P4 complexes arises primarily from the characteristic ⁵D₄ → ⁷F₅ transition of Tb(III) ion. Luminescence decay measurements at this emission wavelength confirmed the presence of a single luminescent centre in each complex. Owing to their intense green emission and favourable thermal and optoelectronic properties, these terbium complexes hold promise as efficient light-converting molecular materials for use in display technologies and lighting applications.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"249 ","pages":"Article 113620"},"PeriodicalIF":4.2,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146184857","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":"Multiple methoxy groups in carbazole-based hole transporting layers for efficient perovskite solar cells: a computational and experimental investigation","authors":"Zhu-Zhu Sun ,&nbsp;Li Zhi ,&nbsp;Lu Zhang ,&nbsp;Xinru Zhang ,&nbsp;Chuantao Gu ,&nbsp;Ping-Ping Sun ,&nbsp;Yunhai Zhang","doi":"10.1016/j.dyepig.2026.113626","DOIUrl":"10.1016/j.dyepig.2026.113626","url":null,"abstract":"<div><div>In perovskite solar cells (PSCs), hole-transport materials (HTMs) are indispensable for facilitating efficient charge extraction and transport processes. Therefore, molecular design of HTMs is an effective approach to enhancing PSCs performance. Considering the role of methoxy groups in mediating intermolecular interactions as well as interactions with perovskite surface, a multi-methoxy strategy was adopted to design molecules DBTC and TTCD with a carbazole-diphenylamine structure. Based on density functional theory (DFT) calculations, we preliminarily demonstrate a favorable matching between the frontier molecular orbital (FMO) energy levels of the designed materials (DBTC and TTCD) and the conduction band (CB) and valence band (VB) energy levels of perovskites. Therefore, the HTMs of DBTC and TTCD were synthesized via a one-pot coupling reaction. Experimental characterizations revealed that the multi-methoxy-substituted molecule TTCD promotes efficient molecular stacking, improving charge extraction efficiency, hole mobility, film morphology and suppressing interfacial defects. Consequently, the PSC devices employing TTCD demonstrated a superior efficiency of 23.13%, significantly outperforming those based on DBTC (21.49%) and Spiro-OMeTAD (22.42%). This work demonstrates that multi-methoxy substitution strategy can provide an effective approach for designing high-performance HTMs, thereby improving the efficiency of PSCs.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"249 ","pages":"Article 113626"},"PeriodicalIF":4.2,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146184776","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":"Molecularly engineered phenothiazine sensitizer for synergistic tandem DSSCs with N719 delivering 24% indoor efficiency in tandem DSSCs","authors":"Shadiah Albalawi ,&nbsp;Hatun H. Alsharief ,&nbsp;Jihan Qurban ,&nbsp;Hossa F. Alshareef ,&nbsp;Renad Almughathawi ,&nbsp;Asmaa L. Alanzy ,&nbsp;Samar J. Almehmadi ,&nbsp;Nashwa M. El-Metwaly","doi":"10.1016/j.dyepig.2026.113629","DOIUrl":"10.1016/j.dyepig.2026.113629","url":null,"abstract":"<div><div>In this study, we report the design, synthesis, and application of a novel phenothiazine-based organic co-sensitizer <strong>(PHZ-1)</strong> featuring a butyl-substituted phenothiazine donor and a benzoic acid acceptor/anchoring group for high-performance dye-sensitized solar cells (DSSCs). The target compound was synthesized in high yield via base-catalyzed Claisen-Schmidt condensation and was fully characterized using various spectroscopic and elemental analyses. The photophysical, electrochemical, and photovoltaic properties of the devices were systematically evaluated using UV–Vis absorption and emission spectroscopy, density functional theory (DFT) calculations, incident photon-to-current efficiency <em>(IPCE</em>), current density-voltage <em>(J-V</em>), and <em>EIS</em> impedance spectroscopy (EIS). Co-sensitization with the benchmark N<strong>719</strong> dye significantly enhanced the performance, yielding a <em>η</em>_{<em>cell</em>} of 9.98% (<em>V</em>_<em>OC</em> = 0.703 V, <em>J</em>_<em>SC</em> = 20.63 mA cm⁻², <em>FF</em> = 68.81%) compared to 7.95% for <strong>N719</strong> alone. A parallel tandem DSSC (PT-Tandem) configuration with <strong>N719 (top cell)/PHZ-1 (bottom cell)</strong> achieved a η_cell of 11.81% (<em>V</em>_<em>OC</em> = 0.728 V, <em>J</em>_<em>SC</em> = 21.74 mA cm⁻², <em>FF</em> = 74.55%), representing a nearly 49% improvement over the single-device N719. EIS and Bode analyses confirmed the reduced charge recombination resistance and extended electron lifetimes in the tandem device, consistent with the higher <em>V</em>_<em>OC</em> and <em>J</em>_<em>SC</em>. The strong donor ability of phenothiazine, combined with complementary spectral absorption and optimized tandem ordering, underpins its superior photovoltaic performance. These findings highlight the potential of phenothiazine–chalcone–triazole frameworks as robust co-sensitizers for synergistic co-sensitization in high-efficiency tandem DSSCs.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"249 ","pages":"Article 113629"},"PeriodicalIF":4.2,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146184779","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":"Leaf-derived carbon dots with reversible solvatochromic fluorescence for 3D high-security encryption in smart hydrogels","authors":"Yiyun Song ,&nbsp;Yuanyuan Liu ,&nbsp;Jing Pang ,&nbsp;Hongmei Yu ,&nbsp;Shaoyan Wang ,&nbsp;Wei Chen","doi":"10.1016/j.dyepig.2026.113563","DOIUrl":"10.1016/j.dyepig.2026.113563","url":null,"abstract":"<div><div>The development of smart fluorescent hydrogels that exhibit multi-dimensional responses and possess dynamic adjustment capabilities is urgently needed to meet the complexity and security requirements of advanced encryption. Carbon dots (CDs) that exhibit different fluorescence depending on the polarity of the solvent can achieve this functionality. Herein, a series of low-cost, biocompatible leaf-derived carbon dots (LD-CDs) were prepared via a one-step hydrothermal treatment of leaves from <em>Viola philippica</em>, cherry blossom, <em>Forsythia suspensa</em>, and <em>Quercus dentata</em>. These LD-CDs display bright blue-green emission in water, red emission in ethanol or dimethylsulfoxide (DMSO), and this property is reversible. This is due to the different aggregation states induced by the solvents. Taking advantage of this reversible property, LD-CDs were encapsulated in an agar/sodium alginate (AGSA) double-network hydrogel for the first time, resulting in a solvent-responsive smart fluorescent hydrogel (LD-CDs@AGSA) that can be used for information encryption. By utilizing the different DMSO response dynamics of the four types of LD-CDs, a binary encryption logic (blue-green = \"0\", red = \"1\") was established, achieving multi-level spatiotemporal information encoding. More importantly, a pioneering 3D gel assembly strategy was developed to fabricate a stereoscopic \"gel koi\" model. In this model, hydrogel units with different response rates are precisely arranged in three dimensional space, significantly enhancing information storage capacity and the complexity of decryption. This work combines sustainable biomass-derived nanomaterials with solvent-responsive fluorescence and 3D spatial encryption, providing a green, economical, and highly secure platform for advanced anti-counterfeiting, rewritable data storage, and dynamic photonic displays.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"249 ","pages":"Article 113563"},"PeriodicalIF":4.2,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090503","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":"A multi-responsive hydrogel with luminescence switching, mechanical tuning, and shape memory via reversible Ln-coordination bonds","authors":"Yuchen Deng ,&nbsp;Bin Li ,&nbsp;Wei Qi ,&nbsp;Wei Liu ,&nbsp;Ning Zhang ,&nbsp;Lanlan Zhao ,&nbsp;Huanrong Li","doi":"10.1016/j.dyepig.2026.113570","DOIUrl":"10.1016/j.dyepig.2026.113570","url":null,"abstract":"<div><div>The rapid development of smart hydrogels has greatly increased the demand for systems with adaptive and multi-responsive capabilities. However, it remains challenging to integrate multiple responsive functions into a singular hydrogel network, as most systems lack the molecular design to enable synergistic and reversible control over these distinct properties. Herein, we present a novel multifunctional hydrogel based on a dynamic Eu³⁺ coordination complex with allyl modified pyridine-2,6-dicarboxylic acid (APDA). This material exhibits luminescence switching, tunable mechanical performance and shape memory behavior in response to acid/base stimuli. The dynamic lanthanide metal-ligand coordination allows the reversible assembly and disassembly of the hydrogel network in response to base/acid stimuli, so that the hydrogel can realize the reversible stiff-soft conversion. The Eu³⁺-APDA coordination complexes formed under basic conditions function dually as a luminescent center and a cross-linking bond, fixing the hydrogel's temporary shape. Conversely, acid stimulation triggers their disintegration, leading to simultaneous luminescence quenching and shape recovery. This intelligent hydrogel system provides a novel design strategy for stimuli-responsive, multi-functional luminescence soft materials.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"248 ","pages":"Article 113570"},"PeriodicalIF":4.2,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973449","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":"Fluorine substitution of dithienocoronene diimide (DTCDI)-Based molecules to improve ambipolar performance of OFETs","authors":"Tingting Dai ,&nbsp;Huijuan Ran ,&nbsp;Yuelan Zhang ,&nbsp;Jingyao Wang ,&nbsp;Tongyi Wang ,&nbsp;Jian-Yong Hu ,&nbsp;Mengzhen Du ,&nbsp;Erjun Zhou","doi":"10.1016/j.dyepig.2026.113559","DOIUrl":"10.1016/j.dyepig.2026.113559","url":null,"abstract":"<div><div>Organic small-molecule semiconductors have been widely applied in organic field-effect transistors (OFETs) due to their tunable electronic structures and optoelectronic properties, excellent reproducibility, and facile functionalization. In this work, we designed and synthesized two dithienocoronene diimide (DTCDI)-based small-molecule derivatives—<strong>DTCDI-BTMI</strong> and its perfluorinated analogue <strong>DTCDI-BTMI4F,</strong> and systematically investigated the impact of fluorination on the energy levels, thin-film microstructure, and charge transport properties in OFETs. Density functional theory (DFT) calculations revealed that fluorination lowers the LUMO energy (−2.98 eV for DTCDI-BTMI <em>vs.</em> −3.09 eV for DTCDI-BTMI4F), enhancing electron affinity and ensuring favorable HOMO alignment with gold electrodes for efficient charge injection. Especially, the OFET devices based on these two molecules both exhibited ambipolar charge transport characteristics. Under ambient conditions, <strong>DTCDI-BTMI</strong> demonstrated hole-dominated ambipolar charge transport, with hole and electron mobilities of 1.09 × 10^-³ and 2.11 × 10^-⁴ cm² V^-¹ s^-¹, respectively. In contrast, the fluorinated derivative <strong>DTCDI-BTMI4F</strong> exhibited remarkably enhanced ambipolar transport characteristics, achieving electron and hole mobilities of 1.29 × 10^-² and 2.44 × 10^-² cm² V^-¹ s^-¹, an improvement of one to two orders of magnitude. Furthermore, the nearly balanced hole-to-electron mobility ratio (<em>μ</em>_h/<em>μ</em>_e ≈ 1.9) of <strong>DTCDI-BTMI4F</strong> indicates its highly balanced ambipolar charge transport character. This significant performance enhancement is attributed to the synergistic effects arising from fluorine incorporation, including its strong electron-withdrawing nature, promoted molecular ordering, improved crystallinity, and tighter π-π stacking. This work underscores the considerable potential of the fluorination strategy in designing high-performance ambipolar organic semiconductors.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"248 ","pages":"Article 113559"},"PeriodicalIF":4.2,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973454","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}