Journal of Photochemistry and Photobiology A-chemistry最新文献

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Insights into catalytic activity and mechanism of BiVO4 modified by different cerium forms in collaboration with C3N4
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-02-18 DOI: 10.1016/j.jphotochem.2025.116327
Yanjun Zhao , Qian Luo , Minyue Zhou , Shirui Lv , Yuning Ma , Xintong Liu
{"title":"Insights into catalytic activity and mechanism of BiVO4 modified by different cerium forms in collaboration with C3N4","authors":"Yanjun Zhao ,&nbsp;Qian Luo ,&nbsp;Minyue Zhou ,&nbsp;Shirui Lv ,&nbsp;Yuning Ma ,&nbsp;Xintong Liu","doi":"10.1016/j.jphotochem.2025.116327","DOIUrl":"10.1016/j.jphotochem.2025.116327","url":null,"abstract":"<div><div>Environmental photocatalysis is an effective technology to deal with environmental pollution. In this study, bismuth vanadate (BiVO<sub>4</sub>), one of the most common photocatalysts, was used as the substrate material. Different states cerium (Ce) with multiple electron layers were firstly introduced, afterwards C<sub>3</sub>N<sub>4</sub> was hybridized. The existence forms of Ce in semiconductor matrix lattice under different conditions were investigated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and other characterization methods. Furthermore, quenching experiments and electron paramagnetic resonance (EPR) techniques were used to discuss the changes in the production of reactive oxygen species (ROS) by different forms of Ce electron layers. This study systematically summarized the relationship and rule of Ce and ROS formation. It provides the research basis and theoretical basis for exploring the mechanism of photocatalytic reaction and dealing with environmental problems in practice.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"465 ","pages":"Article 116327"},"PeriodicalIF":4.1,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143465484","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}
引用次数: 0
Synthesis and applications of a fluorescent cyan 2-aryl benzimidazole for environmental sensing, luminescent ink, and coating technologies
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-02-18 DOI: 10.1016/j.jphotochem.2025.116346
Vismaya Joseph, Muhammed Arshad, Athira Ajayan, Abraham Joseph
{"title":"Synthesis and applications of a fluorescent cyan 2-aryl benzimidazole for environmental sensing, luminescent ink, and coating technologies","authors":"Vismaya Joseph,&nbsp;Muhammed Arshad,&nbsp;Athira Ajayan,&nbsp;Abraham Joseph","doi":"10.1016/j.jphotochem.2025.116346","DOIUrl":"10.1016/j.jphotochem.2025.116346","url":null,"abstract":"<div><div>An efficient luminescence sensor, specifically 2-([1,1′-biphenyl]-4-yl)-1H-benzo[d]imidazole (BBI), has been synthesized through a one-pot green synthesis methodology to detect picric acid (PA) via turn-off quench, demonstrating superior performance relative to numerous nitro aromatic compounds. The compound was characterized using various spectroscopic techniques, in addition to absorption and fluorescence emission studies, to ascertain the sensitivity and selectivity of the probe. The sensor exhibits a limit of detection (LOD) of approximately 1.22 × 10<sup>−7</sup> M and a quenching constant of 1.67 × 10<sup>5</sup> M<sup>−1</sup>, as determined by fluorescence measurements. The underlying mechanism of the sensing process was elucidated through both experimental and theoretical analyses. To augment its practical applicability, the sensor was formulated into luminescent ink and gel-based systems for various applications. Additionally, real-world detection capabilities were established by developing solid-contact mode paper strips and glass plate-based detection methods, facilitating the analysis of real-life samples such as soil and water.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"465 ","pages":"Article 116346"},"PeriodicalIF":4.1,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143453833","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}
引用次数: 0
Synthesis, physicochemical properties and infrared bioimaging of donor-acceptor (D-A) benzothiadiazole and diketopyrrolopyrrole macromolecules: A combined experimental and theoretical study
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-02-16 DOI: 10.1016/j.jphotochem.2025.116345
Jonatan Rodríguez-Rea , Marisol Güizado-Rodríguez , Sergio Romero-Servin , Gabriel Ramos-Ortiz , José Elías Guzmán-López , Victor Barba , Irán Fernando Hernández-Ahuactzi , Lerida Liss Flores-Villavicencio , Julio César Villagómez-Castro
{"title":"Synthesis, physicochemical properties and infrared bioimaging of donor-acceptor (D-A) benzothiadiazole and diketopyrrolopyrrole macromolecules: A combined experimental and theoretical study","authors":"Jonatan Rodríguez-Rea ,&nbsp;Marisol Güizado-Rodríguez ,&nbsp;Sergio Romero-Servin ,&nbsp;Gabriel Ramos-Ortiz ,&nbsp;José Elías Guzmán-López ,&nbsp;Victor Barba ,&nbsp;Irán Fernando Hernández-Ahuactzi ,&nbsp;Lerida Liss Flores-Villavicencio ,&nbsp;Julio César Villagómez-Castro","doi":"10.1016/j.jphotochem.2025.116345","DOIUrl":"10.1016/j.jphotochem.2025.116345","url":null,"abstract":"<div><div>Herein the synthesis of the polymer (<strong>PHB</strong>) and the oligomer (<strong>OHDPP</strong>) using the Fagnou-type direct arylation reaction with goods yields nearly to 63% is described. These macromolecules were envisioned comprising an electronic donor–acceptor (D-A) structure with 3,4-dihexylthiophene (<strong>H</strong>) as donor and benzothiadiazole (<strong>B</strong>) or diketopyrrolopyrrole (<strong>DPP)</strong> as acceptor moieties. Based on the implemented strategy of synthesis, the combination of <strong>H</strong> with <strong>B</strong>, or <strong>H</strong> with <strong>DPP,</strong> favored obtaining polymeric and oligomer structures, respectively. Taking advantage of the easy preparation and low cost provided by the arylation reaction compared with other polymerization methods, the strength of the D-A effect induced by <strong>B</strong> or <strong>DPP</strong> acceptor fragments was investigated experimentally and theoretically. As a polymer, <strong>PHB</strong> exhibited a higher thermal stability, but the oligomer <strong>OHDPP</strong> demonstrated higher intramolecular charge transfer (ICT) effects. Light emissive electronic states were generated in both materials by nonlinear absorption at infrared wavelengths with maximum two-photon absorption (TPA) cross sections of ∼900 GM. The light emission from the macromolecules in organic solutions was observed at the red and infrared wavelength range of the spectrum; when processed in the form of nanoparticles, these macromolecules were exploited as fluorescent labels for the bioimaging of the neuroblastoma cell line SH-SY5Y. Theoretical calculations provided insight into the molecular conformation in solution and generated data on intramolecular interactions. They show more intramolecular interactions in <strong>OHDPP</strong> due to its molecular planarity, which explains the more effective ICT compared with <strong>PHB</strong>.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"465 ","pages":"Article 116345"},"PeriodicalIF":4.1,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143465485","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}
引用次数: 0
Excitation energy transfer from BODIPY to self-aggregate of zinc bacteriochlorophyll-d analog in supramolecule
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-02-15 DOI: 10.1016/j.jphotochem.2025.116344
Yuna Mori, Hitoshi Tamiaki
{"title":"Excitation energy transfer from BODIPY to self-aggregate of zinc bacteriochlorophyll-d analog in supramolecule","authors":"Yuna Mori,&nbsp;Hitoshi Tamiaki","doi":"10.1016/j.jphotochem.2025.116344","DOIUrl":"10.1016/j.jphotochem.2025.116344","url":null,"abstract":"<div><div>In the main light-harvesting antennas (chlorosomes) of anoxygenic photosynthetic green bacteria, photoexcited carotenoids absorbing green light donate singlet excitation energy to self-aggregates of bacteriochlorophylls(BChls)-<em>c</em>/<em>d</em>/<em>e</em> with their site energies in a far-red light region. To mimic the energy transfer systems, a zinc BChl-<em>d</em> analog covalently linked with a boron dipyrromethene (BODIPY) derivative was investigated in 1%(<em>v</em>/<em>v</em>) tetrahydrofuran and hexane. In the less polar organic solvent, the Zn-BChl-<em>d</em> part in the conjugate self-aggregated similarly as in chlorosomes and accepted excitation energy from the BODIPY part with absorption around 500 nm in a green light region. The excitation energy transfer from BODIPY* to (Zn-BChl-<em>d</em>)<sub>n</sub> in the supramolecular self-assembly of the conjugate was analyzed by visible absorption and fluorescence emission spectroscopy.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"464 ","pages":"Article 116344"},"PeriodicalIF":4.1,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Albumin amplifies the dioxetane (AMPPD) chemiluminescence triggered by alkaline phosphatase: Light emerging from protein cavities
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-02-15 DOI: 10.1016/j.jphotochem.2025.116339
Leonardo Almeida Barison , Maurício Ikeda Yoguim , Aguinaldo Robinson de Souza , Nelson Henrique Morgon , Valdecir Farias Ximenes
{"title":"Albumin amplifies the dioxetane (AMPPD) chemiluminescence triggered by alkaline phosphatase: Light emerging from protein cavities","authors":"Leonardo Almeida Barison ,&nbsp;Maurício Ikeda Yoguim ,&nbsp;Aguinaldo Robinson de Souza ,&nbsp;Nelson Henrique Morgon ,&nbsp;Valdecir Farias Ximenes","doi":"10.1016/j.jphotochem.2025.116339","DOIUrl":"10.1016/j.jphotochem.2025.116339","url":null,"abstract":"<div><div>AMPPD is an abbreviation for 3-(2′-spiroadamantyl)-4-methoxy-4-(3-phosphoryloxy)-phenyl-1,2-dioxetane, a thermally stable 1,2-dioxetane derivative widely used as a chemiluminescent probe in clinical laboratories for enzyme immunoassays. AMPPD is a substrate for alkaline phosphatase (ALP), the enzyme that catalyzes the remotion of the phosphoryl group of AMPPD, triggering light emission. This study investigated the impact of albumins on the AMPPD:ALP system and found that human serum albumin (HSA) increases the light emission efficiency of AMPPD:ALP by around 100 times. The efficiency of light enhancement varied depending on the type of albumin, with bovine (BSA), porcine (PSA), and rabbit (RSA) serum albumins being less effective than HSA. We conducted experiments to demonstrate that once hydrolyzed by ALP, the dephosphorylated AMPPD diffuses to site I of HSA. By studying the photophysical properties of the phenol ester generated after AMPPD cleavage, we found that its complexation with HSA caused a significant increase in its fluorescent efficiency, which explains the amplification of the chemiluminescence. Resonance energy transfer from the excited phenol ester to coumarin-153 was detected, confirming the presence of both molecules in the protein cavity. Hence, introducing fluorescent acceptors into the reaction system can adjust the emission wavelength. Besides the first direct evidence of albumin as an enhancer for chemiluminescence, the results highlight the potential interference of albumins on AMPPD-mediated assays and new biotechnological applications.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"464 ","pages":"Article 116339"},"PeriodicalIF":4.1,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143420280","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}
引用次数: 0
Photocatalytic degradation of tetracycline by UiO-66-S-FeS composites for visible light: Mechanistic on compact interfacial and degradation pathways
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-02-14 DOI: 10.1016/j.jphotochem.2025.116343
Huimin Wen , Xueyao Wang , Xin Zhang , Xinyang Yao , Lihui Huang , Ting Sun , Zhenhui Gao
{"title":"Photocatalytic degradation of tetracycline by UiO-66-S-FeS composites for visible light: Mechanistic on compact interfacial and degradation pathways","authors":"Huimin Wen ,&nbsp;Xueyao Wang ,&nbsp;Xin Zhang ,&nbsp;Xinyang Yao ,&nbsp;Lihui Huang ,&nbsp;Ting Sun ,&nbsp;Zhenhui Gao","doi":"10.1016/j.jphotochem.2025.116343","DOIUrl":"10.1016/j.jphotochem.2025.116343","url":null,"abstract":"<div><div>Photocatalysis encounters a major challenge in developing catalysts that are capable of functioning stably and efficiently absorbing visible light. In this study, we designed and synthesized the UiO-66-S-FeS photocatalyst, which featured a type I heterojunction. Its successful synthesis was validated by characterization analyses. The UiO-66-S-FeS catalyst exhibited a “shell-core” structure, with FeS firmly anchored to the surface of UiO-66-SH<sub>2</sub> via Fe-S bonds, creating a robust interface. The interface significantly enhanced the rate of photogenerated carrier transfer and separation during photocatalytic reactions. While retaining the original advantages of active site dispersion and high specific surface area of MOFs, the doping of FeS resulted in good visible light absorption performance. Ultraviolet–visible diffuse reflectance spectroscopy (UV–Vis DRS) revealed that the visible light absorption scope of UiO-66-S-FeS<sub>0.5</sub> was effectively broadened compared to UiO-66-SH<sub>2</sub>. It resulted in a remarkable improvement in tetracycline degradation, achieving a degradation rate of 99.5 % under visible light. Electron spin resonance (ESR) and free radical scavenging experiments identified several reactive species, including ·O<sub>2</sub><sup>−</sup>, h<sup>+</sup>, ·OH and <sup>1</sup>O<sub>2</sub> playing roles in the degradation process. These findings supported the degradation mechanism as a type I heterojunction. This study demonstrated the potential of the UiO-66-S-FeS photocatalyst for effectively removing antibiotic contaminants.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"464 ","pages":"Article 116343"},"PeriodicalIF":4.1,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429787","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}
引用次数: 0
Effect of surface Fe- and Cu-species on the flat-band potential and photoelectrocatalytic properties of N-doped TiO2
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-02-13 DOI: 10.1016/j.jphotochem.2025.116342
Evgeny Gribov, Evgeny Koshevoy, Timur Fazliev, Mikhail Lyulyukin, Denis Kozlov, Dmitry Selishchev
{"title":"Effect of surface Fe- and Cu-species on the flat-band potential and photoelectrocatalytic properties of N-doped TiO2","authors":"Evgeny Gribov,&nbsp;Evgeny Koshevoy,&nbsp;Timur Fazliev,&nbsp;Mikhail Lyulyukin,&nbsp;Denis Kozlov,&nbsp;Dmitry Selishchev","doi":"10.1016/j.jphotochem.2025.116342","DOIUrl":"10.1016/j.jphotochem.2025.116342","url":null,"abstract":"<div><div>Surface modification of N-doped TiO<sub>2</sub> photocatalyst with transition metals is regarded as a promising approach to increase its ability in the visible-light driven oxidation of organic compounds. Photoelectrocatalytic characterization of semiconducting materials is useful technique to evaluate the potentials of photogenerated charge carriers for analysis of their transfer and reaction pathways. In this study, the surface of TiO<sub>2</sub>-N was decorated with iron or copper species by a simple impregnation method. Fe and Cu were selected as efficient surface traps for electrons and holes, respectively. The metal-decorated photocatalysts were studied using a series of (photo)electrochemical methods with/without addition of methanol as a sacrificial agent to evaluate the position of their flat-band potentials and investigate the effect of metals on the action spectrum of TiO<sub>2</sub>-N in the range of 370–500 nm. Comprehensive analysis revealed that the flat-band potentials of Fe- and Cu-modified photocatalysts are similar (−0.30 ÷ −0.32 V vs. RHE) and slightly negative than the potential of initial TiO<sub>2</sub>-N (−0.26 V vs. RHE). Furthermore, the modification of TiO<sub>2</sub>-N with iron and copper species substantially increased visible-light induced photocurrent in both aqueous and methanol-added electrolytes, especially at long wavelengths. The enhanced photoelectrocatalytic activity of metal-decorated photocatalysts was considered in viewpoint of metal effect on the recombination of photogenerated charge carriers and occurring water or methanol oxidation reactions.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"464 ","pages":"Article 116342"},"PeriodicalIF":4.1,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437270","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}
引用次数: 0
Innovative use of Fe2O3-modified TiO2 coated PE foam for extending the freshness of Barracuda mango
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-02-12 DOI: 10.1016/j.jphotochem.2025.116341
Peerawas Kongsong , Tada Boonyalak , Waritha Jantaporn , Mahamasuhaimi Masae
{"title":"Innovative use of Fe2O3-modified TiO2 coated PE foam for extending the freshness of Barracuda mango","authors":"Peerawas Kongsong ,&nbsp;Tada Boonyalak ,&nbsp;Waritha Jantaporn ,&nbsp;Mahamasuhaimi Masae","doi":"10.1016/j.jphotochem.2025.116341","DOIUrl":"10.1016/j.jphotochem.2025.116341","url":null,"abstract":"<div><div>Preserving fruits after harvest has been challenging, especially Barracuda mangoes because they are highly perishable produce. This paper takes a novel approach incorporating the use of Fe<sub>2</sub>O<sub>3</sub>-modified TiO<sub>2</sub> (Fe<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub>) coated polyethylene (PE) foam fruit nets to enhance the shelf life of those mangoes. Various aspects of the study include identifying characterization techniques used in Fe<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub>. The synthesized TiO<sub>2</sub> particles were analyzed for particle size distribution and size to get the optimum properties for the coating effectiveness. The study examined the methylene blue (MB) degradation mechanism. A UV–Vis spectrometer was used to determine the optical properties of the Fe<sub>2</sub>O<sub>3</sub>-modified TiO<sub>2</sub>, SEM was used to analyze the surface of the coated PE foam nets, indicating even distribution and strong adhesion of the TiO<sub>2</sub> particles. An energy-dispersive X-ray spectroscopy (EDS) test was performed together with an SEM analysis to determine the content of conductive elements and to ensure that Fe was modified into the TiO<sub>2</sub> structure. This research confirms that Fe<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub> coatings effectively increase mangoes’ shelf life through their negative impact on microbial growth and the slowing of other ripening processes. Fe<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub> at the maximum concentration of 1.0 % w/v further showed a considerable shelf-life extension of 130.23 % to the control sample without coating. Experimental results revealed that the Fe-modified TiO<sub>2</sub> materials performed better in MB degradation tests than unmodified TiO<sub>2</sub>. The study also established that the photocatalytic effect of TiO<sub>2</sub> is improved upon Fe modified because the bandgap is also reduced hence improved antimicrobial efficacy when exposed for a short time under fluorescent light. As a contribution to solving the problem of food waste and disease control in technology after the harvest, this study has identified the possibility of using Fe<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub> coatings. Further work should also concentrate on enhancing the use of coating to fit the requirements for large-scale application of this technology.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"465 ","pages":"Article 116341"},"PeriodicalIF":4.1,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143446003","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}
引用次数: 0
Optimizing solar cell performance: Synthesis, structural, and optical analysis of novel quinolinopyranopyridopyrimidine (QPPP)
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-02-11 DOI: 10.1016/j.jphotochem.2025.116334
Ibtisam Alali , Al-Shimaa Badran , N. Roushdy , Nadia A.A. Elkanzi , A.A.M. Farag , Magdy A. Ibrahim
{"title":"Optimizing solar cell performance: Synthesis, structural, and optical analysis of novel quinolinopyranopyridopyrimidine (QPPP)","authors":"Ibtisam Alali ,&nbsp;Al-Shimaa Badran ,&nbsp;N. Roushdy ,&nbsp;Nadia A.A. Elkanzi ,&nbsp;A.A.M. Farag ,&nbsp;Magdy A. Ibrahim","doi":"10.1016/j.jphotochem.2025.116334","DOIUrl":"10.1016/j.jphotochem.2025.116334","url":null,"abstract":"<div><div>In this study, we report the synthesis and characterization of quinolinopyranopyrido-pyrimidine (QPPP, 3) through the reaction of 6-ethyl-4,5-dioxo-5,6-dihydro-4<em>H</em>-pyrano[3,2-c]quinoline-3-carbonitrile (1) with thiobarbituric acid (2). Computational studies employing density functional theory (DFT) at the B3LYP/6-311++G(d,p) level were conducted to investigate the stable geometries, molecular electrostatic potential (MEP) surfaces, non-linear optical (NLO) properties, and frontier molecular orbital (FMO) analysis. Theoretical chemical shift values (<sup>1</sup>H and <sup>13</sup>C) and vibrational wavenumber values showed a good correlation with experimental data. An in silico ADMET analysis indicated favorable oral drug-like properties for the studied compounds. Scanning electron microscopy was used to analyze the topography of the QPPP structure, revealing high absorption characteristics with two distinct values of 3.42 and 4.12 eV and a directly allowed energy gap of 3.03 eV. QPPP films exhibited remarkable photoluminescence at 514.18, 595.08, and 710.8 nm, indicating their suitability for optoelectronic applications. Furthermore, the investigation of the J-V characteristics of QPPP film-based devices under various illuminations demonstrated a distinct response to incident light, suggesting potential utility in organic solar cells. The heterojunctions of Au/QPPP/n-Si/In showed a suitable solar cell feature in the dark and under illuminations ranging from 20 mW/cm<sup>2</sup> to 80 mW/cm<sup>2</sup>. Under illumination, the short-circuit current and open-circuit voltage increased from 0.86 mA to 5.49 mA and from 0.178 V to 0.487 V, respectively. The QPPP-based heterojunction solar cells exhibited noticeable enhancements in both fill factor and solar cell efficiency, reaching approximately 0.36 and 5.6 % under 80 mW/cm<sup>2</sup>, respectively. These findings underscore the potential of QPPP-based materials for use in efficient organic solar cells.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"464 ","pages":"Article 116334"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419823","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}
引用次数: 0
A3B type Zn(II) phthalocyanines and porphyrin cocktail dye sensitizers for highly efficient DSSCs
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-02-10 DOI: 10.1016/j.jphotochem.2025.116333
Şeyma Nur Süerkan , Nuray Arslan , Argun Talat Gökçeören , Soner Çakar , Altuğ Mert Sevim , Ahmet Gül , Mahmut Özacar
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