Journal of Photochemistry and Photobiology A-chemistry最新文献

{"title":"A theoretical investigation of Ta3N5/BaTaO2N heterostructure for solar water splitting","authors":"Huan Zhang ,&nbsp;Yue Liu ,&nbsp;Xin Zhou","doi":"10.1016/j.jphotochem.2025.116511","DOIUrl":"10.1016/j.jphotochem.2025.116511","url":null,"abstract":"<div><div>Heterostructure engineering represents a powerful strategy for enhancing the photocatalytic performance of semiconductor materials. In this study, we employ first-principles calculations to systematically investigate the geometric structure, stability, electronic properties, optical absorption, band alignment, and surface reactions of Ta₃N₅/BaTaO₂N heterostructure − a promising photocatalytic system for water splitting. Two distinct Ta₃N₅(110)/BaTaO₂N(200) interface models were constructed based on experimental observations, considering different terminations of BaTaO₂N(200). Our calculations reveal that the interfacial bonding in Ta₃N₅(110)/BaTaO₂N(200)_Ba is weaker than in Ta₃N₅(110)/BaTaO₂N(200)_Ta, as evidenced by adhesion energy analysis. Ab initio molecular dynamics (AIMD) simulations confirm the thermodynamic stability of both heterostructures. Electronic structure analysis demonstrates that the preserved direct bandgap character in these heterostructures suggests favorable optical transition properties, while the combined bandgap energies extend light absorption across a broader spectral range compared to individual components. Local density of states (LDOS) further reveals that the valence and conduction band edges are spatially separated across different atomic layers, promoting efficient charge transfer. Both heterojunction models exhibit a type-II band alignment, with Ta₃N₅ displaying lower valence and conduction bands than BaTaO₂N, thereby driving photogenerated electrons toward Ta₃N₅ and holes toward BaTaO₂N for effective carrier separation. Mechanistic studies show that the Ta₃N₅(110)/BaTaO₂N(200) heterostructure maintains the intrinsic hydrogen evolution reaction (HER) activity of Ta₃N₅(110) while notably improving the oxygen evolution reaction (OER) performance compared to pristine BaTaO₂N(200). These findings provide fundamental insights into the interfacial effects governing photocatalytic efficiency in Ta₃N₅/BaTaO₂N heterojunctions and offer valuable guidance for the rational design of high-performance semiconductor photocatalysts for renewable energy applications.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"468 ","pages":"Article 116511"},"PeriodicalIF":4.1,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144083881","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, solvatochromic studies, and water sensing applications of methylene blue derivatives","authors":"Bishnu P. Regmi ,&nbsp;Hannah M. Rogers ,&nbsp;Orion L. Phipps ,&nbsp;Prem B. Chanda","doi":"10.1016/j.jphotochem.2025.116499","DOIUrl":"10.1016/j.jphotochem.2025.116499","url":null,"abstract":"<div><div>Solvatochromic dyes constitute a large group of molecules that change their color in response to their environment and have been used in many areas of research and industry. One of the widely investigated dyes is methylene blue. In these studies, two compounds, including methylthioninium bis(trifluoromethanesulfonyl)imide ([MB][TFSI]) and methylthioninium oleate ([MB][OLE]), were prepared from commercially available methylthioninium chloride ([MB][Cl]) by using ion-exchange reactions. These compounds were characterized using FTIR spectroscopy, NMR spectrometry (¹H, ¹³C, and ¹⁹F), UV–vis absorption measurements, elemental analysis, and high-resolution mass spectrometric analysis. Solvatochromic properties of these two compounds, as well as the starting compound, were evaluated in seven different organic solvents with similar and different polarities: methanol, ethanol, acetone, acetonitrile, dichloromethane, dimethyl sulfoxide, and N,N-dimethylformamide. The color change exhibited by [MB][Cl] and [MB][TFSI] in different solvents was minimal, while [MB][OLE] exhibited enhanced color change with approximately five different colors, indicating the potential for discrimination of organic liquids of very similar polarity. Visible absorption spectra of [MB][OLE] showed an approximately 15–17 nm blue shift with enhanced absorption in high energy region compared to the spectra of [MB][Cl] and [MB][TFSI]. Then, [MB][OLE] was applied to detect water in dimethyl sulfoxide and acetone. The key novel finding of this work is the demonstration that oleate ion significantly enhances the solvatochromic properties of methylthioninium ion. These results have significant implications in developing ionic materials with enhanced photophysical properties by pairing different cationic dyes with bulky fatty acid anions for diverse applications.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"468 ","pages":"Article 116499"},"PeriodicalIF":4.1,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144105479","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Vanillin-based photoactive materials: A sustainable approach to antimicrobial solutions","authors":"Elisabetta Gover ,&nbsp;Alfredo Rondinella ,&nbsp;Marilena Marino ,&nbsp;Asja Brovedani ,&nbsp;Alessandra Tavani ,&nbsp;Marco Lopriore ,&nbsp;Marilisa Alongi ,&nbsp;Lara Manzocco ,&nbsp;Lorenzo Fedrizzi ,&nbsp;Daniele Goi ,&nbsp;Paolo Strazzolini ,&nbsp;Clara Comuzzi","doi":"10.1016/j.jphotochem.2025.116501","DOIUrl":"10.1016/j.jphotochem.2025.116501","url":null,"abstract":"<div><div>Bacterial infections result in millions of fatalities each year globally, an issue exacerbated by the alarming rise in antibiotic-resistant pathogens. To combat the spread of these microorganisms, photodynamic inactivation strategies can be employed, which kill microbes by generating reactive oxygen species (ROS) without leading to the development of resistance phenomena. Considering the challenges posed by microbial threats and the need for environmental sustainability, a polyimine matrix named VALPOL (VP) was developed using a lignin waste intermediate, vanillin. This matrix was doped with the photosensitizer (PS) 5,10,15,20-tetrakis(4-methylphenyl)-21H,23H-porphyrin (4MeP) to yield two photoactive materials containing 5 % (VP-5-F) and 10 % w/w (VP-10-F) of PS. The VP-based films underwent comprehensive characterization through FTIR spectrophotometry, DSC analysis, and SEM microscopy. Water absorption capacity, diffusion coefficient, film regeneration, and antimicrobial capabilities were also assessed. Following exposure to a blue LED lamp, the VP-doped matrices demonstrated significant antimicrobial efficacy, achieving up to a 3-Log reduction in <em>Staphylococcus aureus</em> viability. This effect was attributed to the material’s ability to generate singlet oxygen via a photodynamic mechanism. Notably, the photokilling effect was enhanced with the reuse of the films, likely due to the morphological changes observed through SEM. The materials exhibited stability, resistance to operational conditions, and ease of molding, combined with light-activated antimicrobial properties, indicating their potential for diverse applications. This research highlights the promise of photoactive vanillin-based films as antimicrobial materials, aligning with sustainable principles in both the photodynamic disinfection method and the material itself.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"468 ","pages":"Article 116501"},"PeriodicalIF":4.1,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144083880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Carbon dots@silica-based dual-emission ratiometric fluorescent sensor for highly selective detection of Cu2+ and thiram","authors":"Mingyue Huang ,&nbsp;Ruxue Li ,&nbsp;Peng Zhou ,&nbsp;Chunying Duan","doi":"10.1016/j.jphotochem.2025.116498","DOIUrl":"10.1016/j.jphotochem.2025.116498","url":null,"abstract":"<div><div>Thiram is a widely used fungicide and pesticide in agriculture, whose ability to form stable complexes with metal ions increases its environmental persistence and pollution risks, posing potential threats to water bodies and food safety. Therefore, it is urgently needed to develop a sensitive method for the detection of thiram and heavy metals. In this work, a ratiometric fluorescent sensor, comprised of blue and yellow carbon dots encapsulated in silica (CDs@SiO₂) composites, was developed for the detection of copper ions (Cu²⁺) and thiram. Upon excitation at 390 nm, the probe exhibited two distinct fluorescent emission peaks at 450 and 580 nm. The addition of Cu²⁺ induced aggregation of yellow carbon dots, enhancing the emission intensity at 580 nm via aggregation-induced emission enhancement, while the inner filter effect simultaneously reduced the emission intensity at 450 nm. This dual mechanism enabled a sensitive response for Cu²⁺ detection. A linear correlation between the F₅₈₀/F₄₅₀ ratio and Cu²⁺ concentration was observed in the range of 0.5 to 115 μM, with a limit of detection (LOD) as low as 0.144 μM. Furthermore, thiram competes with yellow CDs@SiO₂ for Cu²⁺ binding, enabling ratiometric detection of thiram concentrations between 2 and 80 μM with a LOD of 1.76 μM. The sensor also demonstrates excellent selectivity, reproducibility and stability, making it a promising tool for the accurate determination of Cu²⁺ and thiram in real samples.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"468 ","pages":"Article 116498"},"PeriodicalIF":4.1,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Isoxazole-based styryl dyes with macrocyclic receptors: synthesis, ion sensing properties and applications in bioimaging","authors":"Nadezhda E. Astakhova ,&nbsp;Kirill S. Sadovnikov ,&nbsp;Dmitry A. Vasilenko ,&nbsp;Alina A. Markova ,&nbsp;Minh Tuan Nguyen ,&nbsp;Ivan D. Burtsev ,&nbsp;Alexei A. Yakushev ,&nbsp;Yuri K. Grishin ,&nbsp;Yulia A. Gracheva ,&nbsp;Yulia L. Volodina ,&nbsp;Alina R. Lukmanova ,&nbsp;Vasily V. Spiridonov ,&nbsp;Alexander A. Yaroslavov ,&nbsp;Alexei D. Averin ,&nbsp;Vladimir A. Kuzmin ,&nbsp;Elena R. Milaeva ,&nbsp;Elena B. Averina","doi":"10.1016/j.jphotochem.2025.116497","DOIUrl":"10.1016/j.jphotochem.2025.116497","url":null,"abstract":"<div><div>Two series of novel 4-nitro-5-styrylisoxazoles (11 compounds) containing various macrocyclic substituents at positions 3 and 5 of the isoxazole cycle were obtained. Isoxazoles with macrocyclic signal unit in the styryl moiety demonstrated sensor properties in organic solvents to a number of metal cations (Mg(II), Ca(II), Zn(II), La(III), Al(III), Pb(II)). Aggregation-induced emission for the obtained dyes was found in the mixture of DMSO/H₂O. In the presence of serum albumin, aggregates of macrocyclic styrylisoxazoles in an aqueous medium dissociated into monomers and formed complex with macromolecule. The compounds demonstrated cytoplasmic distribution in cells in two different forms as aggregates with ‘red’ fluorescence and dyes complexes with cellular proteins with ‘green’ fluorescence, which is promising for studying metabolic processes in the cell.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"468 ","pages":"Article 116497"},"PeriodicalIF":4.1,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144071231","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular Tailoring by Furan and Thiophene Heterocycles to Optimize Nonlinear Optical and Photovoltaic Efficiency","authors":"Shabbir Muhammad ,&nbsp;Jannat Bibi ,&nbsp;Bakhet A. Alqurashy ,&nbsp;Saleh S. Alarfaji ,&nbsp;Abul Kalam ,&nbsp;Aijaz Rasool Chaudhry ,&nbsp;Abdullah G. Al-Sehemi","doi":"10.1016/j.jphotochem.2025.116496","DOIUrl":"10.1016/j.jphotochem.2025.116496","url":null,"abstract":"<div><div>Modern advancements in optoelectronics, laser frequency modulation, quantum computing, and telecommunications rely on efficient nonlinear optical (NLO) materials. This study presents a computational design and analysis of a new series of organic acceptor–donor-acceptor compounds (<strong>1a</strong> to <strong>3b</strong>), focusing on the influence of thiophene and furan heterocyclic ring arrangements on their NLO response. Quantum chemical calculations were performed to evaluate the linear polarizabilities (α) and third-order nonlinear polarizabilities &lt; γ &gt; . Among the series, compound <strong>2b</strong> exhibited the highest &lt; γ &gt; of 3744 × 10^-36 esu, which is ∼ 486 times greater than the benchmark NLO molecule of <em>p</em>-nitroaniline (<em>p-</em>NA) computed at the same theoretical level. Additionally, <strong>3a</strong> showed the highest linear isotropic polarizability (α_iso) of 163 × 10^-24 esu, while <strong>1b</strong> had the highest anisotropic polarizability (α_aniso) of 182.6 × 10^-24 esu. Solvent effects using the COSMO model revealed a ∼ 2 to ∼ 3-fold enhancement in &lt; γ &gt; for selected derivatives (<strong>1b</strong>, <strong>2a</strong>, and <strong>3a</strong>). The frequency-dependent &lt; γ &gt; of <strong>2b</strong> was calculated at the common laser wavelengths (1064 nm, 1529 nm, and 1947 nm), yielding &lt; γ &gt; values of 4034 × 10^-36, 4457 × 10^-36, and 6034 × 10^-36 esu, respectively. TD-DFT analysis revealed that <strong>2b</strong> possesses the lowest transition energy of 2.596 eV, contributing to its enhanced NLO response. Frontier molecular orbital (FMO) analysis indicated a narrow crucial orbital energy gap (2.45 eV), confirming strong intramolecular charge transfer (ICT). Furthermore, photovoltaic parameters also suggest that <strong>1b</strong> has the most favorable dye regeneration energy and open-circuit voltage. These findings highlight the potential of the entitled compounds for advanced NLO and optoelectronic applications.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"468 ","pages":"Article 116496"},"PeriodicalIF":4.1,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144071769","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dy3+/Cr4+ doped CaLuGaO4 phosphors emitting white and broad NIR light","authors":"Wenfeng Yuan,&nbsp;Xianke Sun,&nbsp;Meng Wu","doi":"10.1016/j.jphotochem.2025.116494","DOIUrl":"10.1016/j.jphotochem.2025.116494","url":null,"abstract":"<div><div>A phosphor that emits both white light and broad near-infrared (NIR) light is of significant interest across various fields, as it enables both visual inspection and NIR spectroscopic detection. In this study, we designed Dy³⁺/Cr⁴⁺ codoped CaLuGaO₄ phosphors that emit both white light and broad NIR light ranging from 1100 nm to 1700 nm when excited at 450 nm. The white light is produced by the ⁴F_9/2 → ⁶H_15/2, ⁶H_13/2, ⁶H_11/2 transitions of Dy³⁺. The broad NIR light arises from the ³T₂ to ³A₂ transition of Cr⁴⁺. Additionally, energy transfer from Dy³⁺ to Cr⁴⁺ occurs in the Dy³⁺/Cr⁴⁺ codoped CaLuGaO₄ phosphors, allowing for tunable ratios of white light to NIR light by varying the concentrations of Dy³⁺ and Cr⁴⁺. A phosphor-converted light-emitting-diode was constructed by encapsulating the synthesized phosphors around a commercial blue LED chip, demonstrating potential applications in lighting sources and non-destructive spectral analysis.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"468 ","pages":"Article 116494"},"PeriodicalIF":4.1,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143935762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation of flower globule Pd@Bi2WO6 catalyst and its photocatalytic performance in imines synthesis reaction","authors":"Xiaojie Zhao,&nbsp;Xiujuan Yu,&nbsp;Yejun Feng,&nbsp;Luwei Wang,&nbsp;Manjia Yang,&nbsp;Xinyuan Zhao","doi":"10.1016/j.jphotochem.2025.116493","DOIUrl":"10.1016/j.jphotochem.2025.116493","url":null,"abstract":"<div><div>The Bi₂WO₆ (BWO) catalyst and <em>x</em>-Pd@Bi₂WO₆ (<em>x</em>-Pd@BWO) catalysts with varying loading ratios were synthesized using the hydrothermal method and NaBH₄ reduction method. The BWO catalyst exhibits a unique flower-like globule composed of interlaced nanosheets, demonstrating excellent photocatalytic properties. The incorporation of palladium nanoparticles (Pd NPs) further enhances its light absorption capability and promotes efficient separation and migration of photogenerated charge carriers. Experimental results show that 3 wt% Pd@BWO achieves a high conversion rate of 86.2 % for the catalytic synthesis of imine under visible light irradiation, along with excellent stability and recyclability under experimental conditions. A variety of characterization techniques were employed to systematically analyze the crystal structure, morphology, optical properties, charge separation efficiency, and specific surface area of the catalyst. Combined with the results of capturing experiments, density functional theory (DFT) calculations were performed to elucidate the band structure, density of states, electronic density difference, and adsorption energies, providing deep theoretical insights into the photocatalytic performance of <em>x</em>-Pd@BWO. Based on these findings, the plausible reaction mechanism for the photocatalytic generation of imines was further proposed. This work provides useful reference for the preparation of high-performance BWO based photocatalysts.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"468 ","pages":"Article 116493"},"PeriodicalIF":4.1,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143947283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"1,8-Naphthalimide-based hybrid inorganic–organic materials for visualization of latent fingerprints: Intracellular Cu2+ detection and anti-counterfeiting ink","authors":"Vishakha Thakur ,&nbsp;Sanjeev Kumar ,&nbsp;Mandeep Kaur ,&nbsp;Ananay Sharma ,&nbsp;Sheikh Showkat Ahmad ,&nbsp;Satwinderjeet Kaur ,&nbsp;Prabhpreet Singh","doi":"10.1016/j.jphotochem.2025.116495","DOIUrl":"10.1016/j.jphotochem.2025.116495","url":null,"abstract":"<div><div>The ethylene glycol appended 4,5-disubstituted-1,8-naphthalimide (<strong>NBG</strong>) is reported for the detection of the Cu²⁺ ions in aqueous medium, live cells and for the imaging of latent fingerprints (LFPs). The NBG showed a decrease in the fluorescence and absorbance intensities at 382 and 446 nm, respectively upon addition of Cu²⁺ ions in 20 % HEPES buffer–CH₃CN medium or CH₃CN with limit of detection as low as 90 nM (in CH₃CN). The solution of NBG in ethanol and ethanol–glycerol (7:3, v/v) has been explored as the security ink to write full page text, drawings and chemical structures with ease. The NBG was non-covalently adsorbed on silica nanoparticles (NBG@SiO₂) and Montmorillonite clay (NBG@MM) to make hybrid inorganic–organic materials for the imaging of latent fingerprints on 13–16 different surfaces up to levels 1–3. The NBG@SiO₂ and NBG@MM fluorescent powders showed sebaceous content enhanced visualization of LFPs on different surfaces and can be used for the analysis, differentiation of different subjects. The physically stressed LFPs have been successfully developed using NBG@ SiO₂ and NBG@MM fluorescent powders with excellent contrast.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"468 ","pages":"Article 116495"},"PeriodicalIF":4.1,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068998","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tailoring CdTe colloidal quantum dots growth kinetics with Ag and In dopants for dazzling white-light emission","authors":"Vijayaraj Venkatachalam ,&nbsp;Sasikala Ganapathy ,&nbsp;Ilaiyaraja Perumal ,&nbsp;Priyadarshini N ,&nbsp;Santhosh Jeferson Joseph Stanley ,&nbsp;Davis Jacob Inbaraj","doi":"10.1016/j.jphotochem.2025.116492","DOIUrl":"10.1016/j.jphotochem.2025.116492","url":null,"abstract":"<div><div>CdTe quantum dots (QDs) were synthesized using an aqueous colloidal method with 3-mercaptopropionic acid (3-MPA) serving as the capping agent. Silver (Ag⁺) doping accelerates crystal growth and causes a red shift in CdTe QDs, while indium (In³⁺) doping leads to a slight blue shift due to controlled growth from free chloride ions in InCl₃ precursor, in conjunction with the 3-mercaptopropionic acid (3-MPA) capping agent. As the reflux time increases, particle size grows accordingly, leading to a progressive narrowing of the bandgap: from 2.67 to 2.15 eV for CdTe, 2.7 to 2.19 eV for In-doped CdTe (In:CdTe), and 2.37 to 1.74 eV for Ag-doped CdTe (Ag:CdTe). In³⁺ doping in CdTe QDs introduce a shallow level, while Ag⁺ doping creates both shallow and deep levels below the conduction band. Emission tuning from deep green to deep red was achieved, effectively addressing the “green gap.” The absorption spectra revealed s- and p-state saturation in CdTe and In:CdTe QDs, whereas Ag:CdTe QDs exhibited additional d-state filling. Both dopants enhanced the optical quality and photoluminescence. A white-light nanocomposite was developed using a blue-emitting organic fluorophore, green-emitting In:CdTe (1 %), and red-emitting Ag:CdTe (5 %) QDs. Optimized mixing produced white light with CIE coordinates (0.33, 0.34), a correlated color temperature (CCT) of 5181 K, and a color rendering index (CRI) of 87 demonstrating strong potential for future white LED and display applications.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"468 ","pages":"Article 116492"},"PeriodicalIF":4.1,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}