Journal of Fluorescence最新文献

{"title":"Fluorescent Chemosensors as Precision Tools for Bioimaging and Environmental Monitoring: Advances, Challenges, and Future Directions.","authors":"Duraisamy Udhayakumari","doi":"10.1007/s10895-026-04921-2","DOIUrl":"10.1007/s10895-026-04921-2","url":null,"abstract":"<p><p>Small-molecule fluorescent chemosensors have emerged as prevailing tools for bioimaging, offering high sensitivity, rapid response, and tunable photophysical properties. This review provides a critical overview of recent advances in the design and bioimaging applications of organic fluorescent probes derived from chemosensors. The key photophysical transduction mechanisms-including photoinduced electron transfer (PET), intramolecular charge transfer (ICT), Förster resonance energy transfer (FRET) and excited-state intramolecular proton transfer (ESIPT)-are systematically discussed in relation to sensing performance and imaging capability. Significant progress in the detection of toxic metal ions (Al³⁺, Cu²⁺, Zn²⁺, Hg²⁺, Fe³⁺, Cr³⁺, Cd²⁺, Pb²⁺), biologically relevant anions (CN⁻, F⁻, S²⁻, PPI), and pH variations is highlighted, with particular emphasis on coumarin-, quinoline-, and Schiff base-based probes for cellular and in vivo imaging. Emerging innovations such as ratiometric sensing, subcellular targeting, near-infrared fluorescence, and smartphone-integrated detection platforms are discussed. Despite remarkable advances, challenges including limited aqueous solubility, photobleaching, background interference, and biocompatibility persist. This review bridges fundamental photophysical principles with practical bioimaging applications, serving as a valuable resource for next-generation fluorescent sensor development.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":"5649-5682"},"PeriodicalIF":3.4,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148920098","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solvent-Free Ground Thiadiazole Schiff Base Fluorescent Probe for Selective Detection of Dichromate with DFT Mechanism Investigation.","authors":"Yuting Liu, Qian Yu, Dawei Yin, Shuaiqi Wang, Liangyan Qiao, Jiale He, Dangtong Zhang","doi":"10.1007/s10895-026-04942-x","DOIUrl":"10.1007/s10895-026-04942-x","url":null,"abstract":"<p><p>(E)-1-Phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine (probe Y) was synthesised via solvent-free, solid-phase grinding, using 2-amino-5-phenyl-1,3,4-thiadiazole and benzaldehyde as the starting materials. The probe exhibits excellent selectivity towards the dichromate anion (Cr₂O₇^2-) and generates dual-channel responses, including fluorescence quenching for quantitative detection and a visible colour change of the solution from light green to bright yellow for qualitative naked-eye detection. The probe's sensing performance remains stable over a wide pH range (2-12), with a rapid equilibrium response time (< 5 min). Fourier-transform infrared (FT-IR) and proton nuclear magnetic resonance (¹H NMR) titration experiments suggest that Probe Y interacts with Cr₂O₇^2- with an apparent stoichiometric ratio of 2:1. Density functional theory (DFT) calculations were performed to reveal the probe's intrinsic recognition mechanism, and frontier molecular orbital (FMO) analyses suggest that photoinduced electron transfer (PET) may contribute to the fluorescence quenching process. The fluorescence quenching constant (Ksv) of the probe towards Cr₂O₇^2- is 1.87 × 10⁴ M^- 1, and the fluorescence-based limit of detection is 4.02 µM, demonstrating competitive sensing performance among reported thiadiazole Schiff-base Cr₂O₇^2- probes.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":"5695-5707"},"PeriodicalIF":3.4,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148930103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Label-Free Graphene Quantum Dot-Based Fluorescent Aptasensor for Rapid and Sensitive Detection of Leptospira interrogans.","authors":"Pandiyan Pooja, Archana Vishwakarma, Varsha Birendra Singh, Raja Natesan Sella, G Devanand Venkatasubbu, Mohandass Ramya","doi":"10.1007/s10895-026-04936-9","DOIUrl":"10.1007/s10895-026-04936-9","url":null,"abstract":"<p><p>Leptospirosis is a neglected tropical disease that is widespread in tropical and subtropical regions. The lack of rapid and sensitive diagnostic tools continues to limit the early identification of the disease. In this study, a graphene quantum dots-based aptasensor was developed for the detection of Leptospira interrogans. Graphene quantum dots were synthesized and used as fluorescence transducers, which are covalently conjugated with cell surface-specific DNA aptamer targeting the pathogen. The synthesized quantum dots exhibited quasi-spherical morphology with particle size ranging from ~ 2.5 nm. Upon target recognition, the GQD-aptamer conjugate exhibited concentrationdependent fluorescence quenching, showing a linear response over the range of 10³-10⁸ CFU/mL (R² = 0.958) and a limit of detection of 10³ CFU mL⁻¹. The assay was completed within 15 min. The sensing platform was further evaluated under biologically relevant conditions, including protein-containing buffer, heat-treated cells, diluted serum, and artificial urine samples. In addition to spectroscopic analysis, dark-field microscopy revealed pronounced aggregation and clustering of Leptospira cells following treatment with the GQD-aptamer conjugate. The combined spectroscopic and microscopic findings support the proposed sensing mechanism and highlight the potential of the developed GQD-aptamer platform as a rapid fluorescence-based aptasensor for Leptospira, with future applicability towards point-of-care diagnostic development.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":"5709-5720"},"PeriodicalIF":3.4,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148930134","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical Study on the Photophysical Mechanism for the Detection of Biothiols Based on the 1,3,4-Thiadiazole Fluorescence Probe.","authors":"Hao Sun, Yonggang Yang, Yang Liu, Tiantian Guan, Chenhao Zheng, Jian Song, Yufang Liu","doi":"10.1007/s10895-026-04931-0","DOIUrl":"10.1007/s10895-026-04931-0","url":null,"abstract":"<p><p>The photophysical mechanism of the 1,3,4-thiadiazole-based probe N, N-dimethyl-5-(2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)oxy)phenyl)-1,3,4-thiadiazol-2-amine (L-C) for biothiol (RSH) detection has been theoretically investigated. Initially, significant intramolecular charge transfer (ICT) is observed in L-C, with a charge-transfer distance of 4.87 Å. The energetically lower acceptor LUMO (-3.74 eV) compared to the donor (-1.42 eV) facilitates a photoinduced electron transfer (PET) process, which effectively quenches the fluorescence of L-C. Following 7-nitro-1,2,3-benzoxazole (NBD) thiolysis by RSH, the generated intermediate L-A undergoes ground-state twisting with a low barrier (0.399 kcal/mol) to form the L-A-Enol conformer. This process is consistent with the significantly strengthened intramolecular hydrogen bond from -2.024 to -10.285 kcal/mol. Upon photoexcitation to the first singlet (S₁) state, L-A-Enol undergoes excited-state intramolecular proton transfer (ESIPT) to its keto form with a barrier of 3.162 kcal/mol. Finally, the keto form returns to the enol form via a ground-state intramolecular proton transfer (GSIPT) process with a low barrier of 0.705 kcal/mol, completing the photophysical cycle. Notably, the calculated enolic emission peak (419 nm) is close to the experimental peak (415 nm), while the keto form exhibits weak fluorescence at 539 nm. These results demonstrate that the experimentally observed fluorescence enhancement is mainly due to the enol form, rather than the keto emission. These theoretical calculations reveal the detailed detection mechanism of L-C toward RSH via combined PET and ESIPT processes, offering insights that differ from previously established explanations.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":"5775-5785"},"PeriodicalIF":3.4,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148943997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dye-Encapsulated Lanthanide Metal-Organic Framework as a Ratiometric Fluorescent Sensor for Visual Sensing of Uric Acid.","authors":"Jiali Yang, Yiying Wang, Yuhong Xie, Chengli Dong, Yuefeng Bai, Daojiang Gao, Zhanglei Ning","doi":"10.1007/s10895-026-04923-0","DOIUrl":"10.1007/s10895-026-04923-0","url":null,"abstract":"<p><p>A novel dual-emission ratiometric fluorescent sensor, Dye@Tb-MOFs, was successfully constructed via a simple post-synthetic method. Using an excitation wavelength of 320 nm, the resulting composite exhibits dual well-resolved emission bands at 440 nm (attributed to the dye) and 545 nm (characteristic of Tb³⁺ ions), with the fluorescence intensity ratio (I₅₄₅/I₄₄₀) serving as a self-calibrating signal. The sensor demonstrates excellent stability over a wide pH range (3-9) and outstanding selectivity for uric acid (UA) in the presence of common urinary components. Upon interaction with UA, the green emission at 545 nm is selectively and significantly quenched, whereas the blue emission at 440 nm remained almost unchanged. As a result, I₅₄₅/I₄₄₀ shows a significant reduction, accompanied by a visually discernible fluorescence color change of the test strips under UV light from the original green to blue. A good linear relationship between the ratiometric signal and UA concentration is established in the range of 10-1000 µM, with a detection limit as low as 1.70 µM. In addition, the sensor exhibits satisfactory reusability. The quenching mechanism was attributed to the competitive absorption of excitation energy between the ligand and UA, following the inner filter effect principle. This work presents a highly selective and sensitive ratiometric fluorescent platform for the direct UA detection, showing great potential for biosensing applications.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":"5877-5886"},"PeriodicalIF":3.4,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149024940","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preliminary Development of a Hybrid Aptamer and Antibody Fluorescent Lateral Flow Assay for Ultrasensitive Detection of Tau441 Protein in Serum: Toward Point-of-Care Diagnostics for Alzheimer's Disease.","authors":"Reem Mahrat, Ying Chen, John G Bruno, Shamsudin Nasaev, Dmitry Ufaev, Natalia Kudryashova","doi":"10.1007/s10895-026-04925-y","DOIUrl":"10.1007/s10895-026-04925-y","url":null,"abstract":"<p><p>A hybrid DNA aptamer and antibody-Europium nanoparticle (Eu NP) fluorescent sandwich lateral flow (LF) assay for Tau441 is described which works well in human serum with an apparent visible detection limit for Tau 441 of ~ 10 pg/ml or 1 pg of Tau protein. The same LF assay appears to detect phosphorylated threonine 217 Tau 441 (phospho Thr-217 Tau) consistently to an even lower level of 1 pg/ml or 100 fg of total phosphorylated Tau protein in human serum. The aptamer was designed in silico on the Xelari computational platform to target an epitope centered around alanine 390 distal from the threonine 217 phosphorylation site, thus the monoclonal antibody must account for the possibly greater affinity for the phosphorylated protein on the other side of the target molecule. Regardless, the hybrid receptor pair exhibits a relatively linear dynamic range of 10 ng/ml to 10 or 1 pg/ml in serum as assessed by visual detection with a high degree of specificity as demonstrated by low cross-reactivity versus other germane human protein targets in buffer, laying the groundwork for a potential rapid and convenient point-of-care (POC) diagnostic for Alzheimer's disease.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":"5619-5627"},"PeriodicalIF":3.4,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148912378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Zero-Disturbance Sensitization Strategy for Ultra-High-Efficiency Cr³⁺ Near-Infrared Phosphors.","authors":"Zixuan Gao, Miaocui Lu, Junyu Chen, Shuning Chen, Zuizhi Lu, Yuzhen Zhang","doi":"10.1007/s10895-026-04928-9","DOIUrl":"10.1007/s10895-026-04928-9","url":null,"abstract":"<p><p>High-efficiency near-infrared (NIR) phosphors are essential for NIR phosphor-converted light-emitting diodes (pc-LEDs). Cr³⁺-activated garnet-type materials have emerged as promising candidates in this regard. In this work, we propose a minimal-disturbance sensitization strategy to enhance the luminescence performance of Cr³⁺-doped Ca₂Gd₂Ga₂Ge₂O₁₂ (CGGGO) NIR phosphors by introducing Tb³⁺ as an energy-transfer mediator. The co-doping of Tb³⁺ has been demonstrated to enhance the emission intensity by 28% under 260 nm excitation and 14% under 450 nm excitation. Concurrently, the internal quantum efficiency (IQE) has been shown to improve from 86.5% to 97%. It is important to note that the emission peak position, spectral shape and fluorescence lifetime remain almost unchanged (peak shift < 1 nm, lifetime variation < 3%), thus confirming the weakly perturbing nature of the sensitization. The present study proposes a dual-pathway energy transfer mechanism, and crystal-field analysis confirms the presence of a moderate crystal field around Cr³⁺ that is favorable for broadband NIR emission. In conclusion, the fabrication of an NIR pc-LED device employing the optimal co-doped phosphor has been demonstrated to yield stable electroluminescence and excellent night-vision imaging performance. This work develops a high-performance Cr³⁺-activated NIR phosphor and provides a general strategy for designing efficient luminescent materials via minimally invasive co-doping.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":"5721-5732"},"PeriodicalIF":3.4,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148930165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modulation of Optoelectronic Performance in N-alkyl-dithieno[3,2 b:2',3' d]pyrrole based Organic Dyes: Insights from DFT/TD-DFT.","authors":"Ananta Panigrahi, Prabhat K Sahu","doi":"10.1007/s10895-026-04933-y","DOIUrl":"10.1007/s10895-026-04933-y","url":null,"abstract":"<p><p>The present study focuses computational design and theoretical evaluation of ten different donor-π-acceptor (D-π-A) organic dyes F (1-10), for dye-sensitized solar cell (DSSC) applications. The dye molecules are incorporated using 4-methyl-4H-dithieno[3,2-b:2',3'-d]pyrrole π-bridge combined with different electron-donating groups, including amino, dimethylamine, methoxy, and diphenylamine, along with electron-withdrawing acceptors such as nitro (-NO₂), cyano (-CN), cyanoacrylic acid (CAA), 4,5-dicyanoimidazole (DCI), and 5,6-dicyanobenzoimidazole (DCBI). Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations have been performed to investigate the electronic, optical, and photovoltaic properties. The optimized dyes exhibit narrow energy gaps (2.67- 4.00 eV) and strong intramolecular charge-transfer (ICT) characteristics with absorption maxima ranging from 312.5 nm to 564.3 nm. Organic dyes with CAA, DCI and DCBI units significantly enhance ICT strength, red-shifts absorption spectra, and improve electron injection efficiency. The calculated open-circuit voltages ([Formula: see text]) span from 1.18 V to 1.41 V, while light-harvesting efficiencies (LHE) reach up to 96.57%. The photovoltaic analysis shows outstanding device performance, with short-circuit current densities ([Formula: see text]) reaching 32.3 mA cm⁻² and power conversion efficiencies (PCE) up to 37.8%. Collectively, these results underscore the potential of the proposed dyes as high-efficiency sensitizers for next-generation DSSC applications.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":"5847-5875"},"PeriodicalIF":3.4,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149001540","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Self-Assembled EGCG@Zn Fluorescent Nanocomplexes for Sensitive Detection of Amyloid-β₄₂.","authors":"Sana Andleeb, Junaid Raza, Farah Younas, Muhammad Iftikhar, Xiao-Feng Sun, Yaoguo Wu, Mariyam Fatima, Muhammad Faizan","doi":"10.1007/s10895-026-04943-w","DOIUrl":"10.1007/s10895-026-04943-w","url":null,"abstract":"<p><p>Amyloid-β₄₂ (Aβ₄₂) is an important pathological biomarker associated with the development and progression of Alzheimer's disease (AD). Differentiating Aβ₄₂ species with distinct aggregation states is therefore relevant for investigating disease-associated aggregation and developing fluorescence-based sensing strategies. In this study, biocompatible EGCG@Zn fluorescent nanocomplexes were prepared through a facile coordination-driven self-assembly approach under different pH conditions and evaluated for Aβ₄₂ detection. The nanocomplexes were characterized by fluorescence spectroscopy, FE-SEM, EDX, TEM, DLS, XRD, FTIR, and XPS, confirming Zn²⁺ incorporation into the EGCG framework and the formation of nanoscale metal-phenolic assemblies with distinct morphological, structural, and surface-chemical characteristics. Their fluorescence behavior was strongly dependent on the synthesis pH, with the nanocomplex prepared at pH 7.3 exhibiting the highest intrinsic fluorescence and the most balanced analytical performance. The optimized nanocomplex produced concentration-dependent and distinguishable fluorescence responses toward the prepared oligomer-enriched and fibril-enriched Aβ₄₂ fractions. The calculated limits of detection were 9.03 × 10⁻¹² mg mL⁻¹ for the oligomer-enriched fraction and 8.02 × 10⁻¹² mg mL⁻¹ for the fibril-enriched fraction, with corresponding limits of quantification of approximately 6.3 × 10⁻¹¹ and 3.9 × 10⁻¹¹ mg mL⁻¹, respectively. In vitro evaluation using PC12 cells further demonstrated low cytotoxicity and good biocompatibility over the investigated concentration range. Overall, the self-assembled EGCG@Zn nanocomplexes provide a simple, biocompatible, and responsive fluorescent platform for proof-of-concept sensing of Aβ₄₂ aggregate-enriched fractions, with potential for further development in Alzheimer's disease biomarker analysis.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":"5913-5932"},"PeriodicalIF":3.4,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149039099","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Atomic-Level Design of a Multifunctional MnC₃₀:H Nanocage: A Promising Platform for Hydrogen Storage and Next-Generation Energy Technologies.","authors":"N M A Hadia, Abdullah Almohammedi, Amal Alruwaili","doi":"10.1007/s10895-026-04939-6","DOIUrl":"10.1007/s10895-026-04939-6","url":null,"abstract":"<p><p>The development of multifunctional materials capable of combining hydrogen storage with energy-conversion properties is important for sustainable energy technologies. Herein, first-principles density functional theory (DFT) calculations are employed to systematically investigate the structural, electronic, magnetic, optical, thermodynamic, thermoelectric, vibrational, and hydrogen adsorption properties of the MnC₃₀:H nanocage. Structural optimization indicates that the system is energetically stable, while phonon calculations reveal the absence of imaginary frequencies, confirming its dynamical stability. The nanocage possesses a magnetic moment of approximately 4.0 µ_B, primarily originating from Mn-3d states, with pronounced Mn-3d/C-2p hybridization near the Fermi level contributing to spin-polarized electronic characteristics. Strong visible-light absorption and an enhanced dielectric response further indicate its potential for optoelectronic applications. Thermodynamic analysis suggests good thermal stability over the investigated temperature range. Hydrogen adsorption calculations demonstrate favorable molecular H₂ binding at the Mn active site, with a gravimetric hydrogen-storage capacity of 5.1 wt%. Dispersion-corrected calculations show that van der Waals interactions significantly influence the adsorption strength, with PBE-D₃(BJ) yielding a moderate adsorption energy of - 0.42 eV, supporting potentially reversible hydrogen storage. Zero-point-energy corrections further reveal site-dependent adsorption energetics and structural responses. Thermoelectric calculations predict positive Seebeck coefficients and a maximum figure of merit (ZT) of 1.0 at 800 K, indicating promising high-temperature energy-conversion performance. Overall, the combined stability, magnetic, optical, thermoelectric, and tunable hydrogen-adsorption characteristics highlight MnC₃₀:H as a promising multifunctional nanomaterial for future sustainable energy and hydrogen-storage applications.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":"5733-5753"},"PeriodicalIF":3.4,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148956066","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}