Journal of Photochemistry and Photobiology A-chemistry最新文献

筛选
英文 中文
Synthesis and performance research of an AIE molecule 一种AIE分子的合成与性能研究
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-04-02 DOI: 10.1016/j.jphotochem.2025.116420
Yuehua Liang, Jiuzhi Wei, Juan Zhang, Tingting Zhang, Yanyan Li, Caiyuan Guo, Enke Feng, Xinxian Ma, Xinning Han
{"title":"Synthesis and performance research of an AIE molecule","authors":"Yuehua Liang,&nbsp;Jiuzhi Wei,&nbsp;Juan Zhang,&nbsp;Tingting Zhang,&nbsp;Yanyan Li,&nbsp;Caiyuan Guo,&nbsp;Enke Feng,&nbsp;Xinxian Ma,&nbsp;Xinning Han","doi":"10.1016/j.jphotochem.2025.116420","DOIUrl":"10.1016/j.jphotochem.2025.116420","url":null,"abstract":"<div><div>This study utilized a simple design principle of using methoxy groups to restrict molecular rotation, converting ACQ molecules (BS-1) into AIE (BS-2) light sources. The BS-2 can recognize Al<sup>3+</sup> and assemble into a supramolecular metallogel (BS-2-Al@gel). Furthermore, using the BS-2-Al<sup>3+</sup> complex as a donor and Rhodamine 6G as acceptor, a artificial light–harvesting systems (ALHSs) has been prepared.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"467 ","pages":"Article 116420"},"PeriodicalIF":4.1,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143777048","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
Investigation of the influence of π-conjugated bridge on photovoltaic parameters in A2-π2-D-π1-A1 dye sensitizers for efficient DSSCs 高效DSSCs染料敏化剂A2-π - 2- d -π - a1中π共轭桥对光伏参数影响的研究
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-04-02 DOI: 10.1016/j.jphotochem.2025.116407
Hanane Etabti , Omar Britel , Nabeel Shahzad , Arunkumar Ammasi , Mohd Shkir , Asmae Fitri , Adil Touimi Benjelloun , Mohammed Benzakour , Mohammed Mcharfi
{"title":"Investigation of the influence of π-conjugated bridge on photovoltaic parameters in A2-π2-D-π1-A1 dye sensitizers for efficient DSSCs","authors":"Hanane Etabti ,&nbsp;Omar Britel ,&nbsp;Nabeel Shahzad ,&nbsp;Arunkumar Ammasi ,&nbsp;Mohd Shkir ,&nbsp;Asmae Fitri ,&nbsp;Adil Touimi Benjelloun ,&nbsp;Mohammed Benzakour ,&nbsp;Mohammed Mcharfi","doi":"10.1016/j.jphotochem.2025.116407","DOIUrl":"10.1016/j.jphotochem.2025.116407","url":null,"abstract":"<div><div>Most notably, indole is the most abundantly found electron donor group. Eight <span><math><msub><mi>A</mi><mn>2</mn></msub></math></span>-<span><math><msub><mi>π</mi><mn>2</mn></msub></math></span>-D-<span><math><msub><mi>π</mi><mn>1</mn></msub></math></span>-<span><math><msub><mi>A</mi><mn>1</mn></msub></math></span> dyes as sensitizers to DSSCs have been successfully designed on the basis of two categories (R1/dyes and R2/dyes). All of these eight dyes have the same donor fragment (indole), π-conjugated bridge <span><math><msub><mi>π</mi><mn>1</mn></msub></math></span> (made of thiophene moiety/benzene) and acceptor fragment <span><math><msub><mi>A</mi><mn>1</mn></msub></math></span> (made of cyanoacrylic/cyanure). Additionally, an acceptor <span><math><msub><mi>A</mi><mn>2</mn></msub></math></span> group (cyanoacrylic acid) is incorporated with supplementary bridge <span><math><msub><mi>π</mi><mn>2</mn></msub></math></span> units.</div><div>The photochemical properties, electronically excited states, and chemical reactivity influencing the produced dyes have been evaluated through DFT and TD-DFT calculations. They include bond lengths, dihedral angles between fragments, frontier molecular orbitals, density of states, isosurface molecular electrostatic potential, charge density differences, fragment transition density matrix, UV–Vis absorption spectra, quantum chemical parameters, photovoltaic characteristics. The investigation compares the dyes features in photophysics, electrically excited states and chemical reactivity.</div><div>Among all the donor dyes designed, R1-D1 and R2-D1 exhibit the most favorable properties. They possess the smallest energy gap values (1.187 eV, 1.165 eV), lowest vertical excitation energies (2.32 eV, 1.85 eV), longest absorption peaks (535.51 nm, 671.67 nm), and the most negative free energy change for electron injection (−1.74 eV, −1.33 eV). These characteristics make them the optimal designs within the two molecular groups. In accordance with the appropriate photophysical characteristics expressed by the remaining organic dyes, all afore mentioned dyes can be considered suitable for application in DSSCs.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"467 ","pages":"Article 116407"},"PeriodicalIF":4.1,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143817681","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
Box-Behnken experimental design to optimize the degradation of methyl orange by β-cyclodextrin-assisted photo-Fenton 优化β-环糊精辅助光fenton降解甲基橙的Box-Behnken实验设计
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-04-01 DOI: 10.1016/j.jphotochem.2025.116419
Leandro Fuentes , Sebastián Robledo , José Natera , Walter A. Massad
{"title":"Box-Behnken experimental design to optimize the degradation of methyl orange by β-cyclodextrin-assisted photo-Fenton","authors":"Leandro Fuentes ,&nbsp;Sebastián Robledo ,&nbsp;José Natera ,&nbsp;Walter A. Massad","doi":"10.1016/j.jphotochem.2025.116419","DOIUrl":"10.1016/j.jphotochem.2025.116419","url":null,"abstract":"<div><div>Cyclodextrins (CDs) are cyclic oligosaccharides that form inclusion complexes with organic pollutants due to their hydrophobic cavities. This study focused on optimizing the conditions for the degradation process of Methyl Orange (MO) in a homogeneous aqueous medium through β-cyclodextrin (β-CD) assisted photo-Fenton. A Box-Behnken experimental design was implemented, and the response surface methodology (RSM) was applied to predict and optimize the optimal conditions for MO removal. The experimental data fit a statistically valid quadratic model according to an analysis of variance (ANOVA), yielding a determination coefficient of R<sup>2</sup> = 0.9966, indicating a 95 % predictive accuracy. Optimization via RSM revealed that the ideal conditions to achieve a maximum removal of 96.4 % were: [β-CD] = 21 μM, [Fe<sup>2+</sup>] = 121 μM, [H<sub>2</sub>O<sub>2</sub>] = 7571 μM, and a pH of 4.2. Experimental verification of these conditions resulted in a degradation efficiency of 95.3 %, with a relative error of 1.15 %, demonstrating its proximity to the predicted value, highlighting the potential for scaling this approach to more complex systems. Thus, the methodology used proves to be an efficient and economically viable solution for the treatment of wastewater contaminated with dyes.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"467 ","pages":"Article 116419"},"PeriodicalIF":4.1,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143783713","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
The photoelectrochromic performance of a Nb-doped TiO2 colloid in DMF 纳米掺杂TiO2胶体在DMF中的光电致变色性能
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-03-31 DOI: 10.1016/j.jphotochem.2025.116406
Raivis Eglītis , Martin Timusk , Amit Das , Andris Šutka
{"title":"The photoelectrochromic performance of a Nb-doped TiO2 colloid in DMF","authors":"Raivis Eglītis ,&nbsp;Martin Timusk ,&nbsp;Amit Das ,&nbsp;Andris Šutka","doi":"10.1016/j.jphotochem.2025.116406","DOIUrl":"10.1016/j.jphotochem.2025.116406","url":null,"abstract":"<div><div>Effective systems controlling light transmittance are essential for energy management regarding reduced energy consumption and for providing on-demand switchable privacy functions in buildings. Here, we report a photoelectrochromic device based on Nb-doped TiO<sub>2</sub> nanoparticles in <em>N,N</em>-dimethylformamide (DMF) sandwiched between two ITO-coated glass panes. Nb-doped TiO<sub>2</sub> nanoparticles allow selective control of the light absorption in the IR spectral range, leaving the visible range less affected. Upon irradiation under open circuit (OC) conditions, the transmittance change in the visible wavelength range of 400–700 nm was 59.0 ± 4.1 %, whereas, in the near-infrared wavelength range of 700–950 nm, it was 80.0 ± 2.9 % within 3 min of irradiation. This was achieved by irradiating the sample with UVA (365 nm) light. The recovery rate of photo-irradiated colloids can be modulated by applying an alternating electrical voltage. This allows for an increase in the recovery rate by several orders of magnitude.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"467 ","pages":"Article 116406"},"PeriodicalIF":4.1,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143817677","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
Engineering a pH-responsive fluorometric system: Dual-emission carbon dots and BTB for selective urea sensing 设计一个ph响应荧光测量系统:双发射碳点和BTB用于选择性尿素传感
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-03-29 DOI: 10.1016/j.jphotochem.2025.116416
Al-Montaser Bellah H. Ali , Mohamed R. Elmasry , Yousef A. Bin Jardan , Mohamed M. El-Wekil
{"title":"Engineering a pH-responsive fluorometric system: Dual-emission carbon dots and BTB for selective urea sensing","authors":"Al-Montaser Bellah H. Ali ,&nbsp;Mohamed R. Elmasry ,&nbsp;Yousef A. Bin Jardan ,&nbsp;Mohamed M. El-Wekil","doi":"10.1016/j.jphotochem.2025.116416","DOIUrl":"10.1016/j.jphotochem.2025.116416","url":null,"abstract":"<div><div>Reliable detection of urea levels is critical for tracking kidney health, identifying diseases, and studying essential physiological functions. Here, we present a novel, straightforward, and selective fluorometric method for urea detection based on a dual-emission carbon dots system coupled with bromothymol blue (BTB) as a pH-sensitive indicator. The sensing platform consists of uniquely engineered carbon dots exhibiting dual emission peaks at 442 nm and 612 nm, working in conjunction with BTB in the presence of urease. The detection mechanism relies on urease-catalyzed hydrolysis of urea, which generates ammonia and subsequently increases the local pH. This pH elevation triggers a distinct color transformation of BTB from yellow (430 nm) to blue (615 nm), simultaneously causing a drop in fluorescence intensity at 612 nm and a rise at 442 nm, enabling ratiometric detection of urea. The developed method demonstrates excellent analytical performance with good linearity (R<sup>2</sup> = 0.9937) across a concentration range of 10.0–100.0 μM and achieves a detection limit of 2.86 μM. Notably, the method exhibits remarkable selectivity in complex biological matrices, successfully quantifying urea in human serum samples with high recovery values despite the presence of potential interferents. Furthermore, we extended the application of this sensing system to develop a smartphone-based colorimetric detection platform, enhancing its accessibility for point-of-care diagnostics. This dual-mode detection method provides a fast and dependable tool for urea monitoring in clinical and biological applications.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"466 ","pages":"Article 116416"},"PeriodicalIF":4.1,"publicationDate":"2025-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143739786","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
A novel iodine-mediated FRET sensor for the assessment of total antioxidant capacity 一种新的碘介导的FRET传感器,用于评估总抗氧化能力
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-03-28 DOI: 10.1016/j.jphotochem.2025.116413
Bei Jiang , Jintao Jiang , Xinrui He , Yilei Zhu , Chao Guo
{"title":"A novel iodine-mediated FRET sensor for the assessment of total antioxidant capacity","authors":"Bei Jiang ,&nbsp;Jintao Jiang ,&nbsp;Xinrui He ,&nbsp;Yilei Zhu ,&nbsp;Chao Guo","doi":"10.1016/j.jphotochem.2025.116413","DOIUrl":"10.1016/j.jphotochem.2025.116413","url":null,"abstract":"<div><div>Accurate quantification of total antioxidant capacity (TAC) is crucial for evaluating the overall antioxidant activity in biological systems and food products. This is of growing importance in diverse applications such as health risk assessment and nutritional recommendations. Here, we introduce a novel Förster resonance energy transfer (FRET)-based sensor for the determination of TAC. The sensor utilizes an iodine-mediated FRET mechanism, employing BODIPY as the donor and Nile Red as the acceptor, both encapsulated within polystyrene (PS) microspheres. In the presence of iodine, its lipophilicity facilitates adsorption into the PS microspheres, resulting in fluorescence quenching due to the heavy-atom effect. This quenching results in an increased distance between the unquenched donors and acceptors, thereby decreasing FRET efficiency. Conversely, the presence of antioxidants reduces iodine concentration, which increases FRET efficiency. This dynamic allows for the development of a ratiometric fluorescence method for TAC determination. Critically, the sensor demonstrates exceptional photostability and resilience to variations in pH and ionic strength, contributing to its analytical robustness. The proposed method exhibits a linear response to ascorbic acid concentrations ranging from 0 to 50 μM, exhibiting good sensitivity (LOD = 2.5 μM) and selectivity. Additionally, the method has been successfully applied to evaluate TAC in ascorbic acid chewable tablets and lemon juice, demonstrating its potential as a robust and efficient tool for TAC determination.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"466 ","pages":"Article 116413"},"PeriodicalIF":4.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748645","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
Polystyrene beads photocatalysts drifting in water by small perturbation and their application to photokilling of Lactobacillus casei 聚苯乙烯微扰悬浮光催化剂及其在干酪乳杆菌光杀灭中的应用
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-03-28 DOI: 10.1016/j.jphotochem.2025.116417
Manabu Kiguchi, Zhongping Liang, Mei Ma, Akira Fujishima, Nobuhiro Hanada
{"title":"Polystyrene beads photocatalysts drifting in water by small perturbation and their application to photokilling of Lactobacillus casei","authors":"Manabu Kiguchi,&nbsp;Zhongping Liang,&nbsp;Mei Ma,&nbsp;Akira Fujishima,&nbsp;Nobuhiro Hanada","doi":"10.1016/j.jphotochem.2025.116417","DOIUrl":"10.1016/j.jphotochem.2025.116417","url":null,"abstract":"<div><div>Beads type photocatalysts drifting in water by small perturbation were investigated using polystyrene (PS) as a support material and air/water flow as stirring method. The sub-mm PS beads were covered with SiO<sub>2</sub> and TiO<sub>2</sub> in sequence. The obtained photocatalysts could be easily separated from water with a stainless steel wire mesh. Uniform distribution of the photocatalysts in water was achieved by stirring with air/water flow. The removal of methylene blue (MB) from aqueous solution was investigated with the PS beads photocatalysts to test their photocatalytic efficiencies. The reaction rate of the photocatalysts with a catalysts concentration of 0.25 % was close to that of 25 ppm TiO<sub>2</sub> nano particles (P25). We then evaluated the photokilling of Gram-positive bacteria, <em>Lactobacillus casei</em> with the photocatalysts. The number of bacterial cells decreased exponentially with the UV irradiation time exhibiting a single step kinetics. The photokilling effect was observed for UV light (365 nm) alone, meanwhile the effect of light irradiation was more pronounced with the catalyst. The bacteria were completely killed by UV irradiation for 60 min with the photocatalysts.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"467 ","pages":"Article 116417"},"PeriodicalIF":4.1,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792807","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
Distinct roles of subphthalocyanine in the ultrafast photodynamics of three donor–acceptor conjugates directly linked by a single B-N bond revealed by nonadiabatic dynamics simulations 非绝热动力学模拟揭示了亚酞菁在三种由单一B-N键直接连接的给受体偶联物的超快光动力学中的独特作用
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-03-27 DOI: 10.1016/j.jphotochem.2025.116415
Xiao-Mei Tang , Xin Wei , Ya-Qiong Guo , Yuxin Heng , Xiaoqin Liang , Laicai Li , Xiang-Yang Liu
{"title":"Distinct roles of subphthalocyanine in the ultrafast photodynamics of three donor–acceptor conjugates directly linked by a single B-N bond revealed by nonadiabatic dynamics simulations","authors":"Xiao-Mei Tang ,&nbsp;Xin Wei ,&nbsp;Ya-Qiong Guo ,&nbsp;Yuxin Heng ,&nbsp;Xiaoqin Liang ,&nbsp;Laicai Li ,&nbsp;Xiang-Yang Liu","doi":"10.1016/j.jphotochem.2025.116415","DOIUrl":"10.1016/j.jphotochem.2025.116415","url":null,"abstract":"<div><div>Herein, we investigate the photodynamics of three donor–acceptor subphthalocyanine (SubPc)-based conjugates, namely SubPc-PDI, PTZ-SubPc, and PTZ-SubPcF, by leveraging the synergy of linear-response time-dependent density functional theory (LR-TDDFT) for static electronic structure analysis and nonadiabatic molecular dynamics (NAMD) simulations. Based on the obtained results, the distinct roles of SubPc in different conjugates are confirmed. In SubPc-PDI, the SubPc fragment acts as an electron donor, whereas in PTZ-SubPc and PTZ-SubPcF, it functions as an electron acceptor. Consequently, the photodynamics of these conjugates vary upon excitation around the lowest absorption band of SubPc. In the case of SubPc-PDI, energy transfer from SubPc to PDI occurs on an ultrafast timescale, completing within 500 fs. In contrast, hole transfer from SubPc/SubPcF is observed in the PTZ-SubPc/SubPcF conjugates. Furthermore, the introduction of fluorine substitution notably lowers the energy of charge transfer states in PTZ-SubPc conjugates, thereby enhancing charge transfer efficiency. The findings of our current study strongly align with previous experimental results and provide a more comprehensive understanding of the photoinduced dynamics in SubPc-based donor–acceptor systems. Additionally, the methodologies employed in this work prove effective for investigating the photodynamics of these systems, offering valuable insights for analyzing complex photodynamic behaviors in diverse organic donor–acceptor systems.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"466 ","pages":"Article 116415"},"PeriodicalIF":4.1,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143739785","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
Plasma electrolytic preparation of film CoWO4/WO3 p-n heterostructures and their photocatalytic and electrochemical properties 等离子体电解制备薄膜CoWO4/WO3 p-n异质结构及其光催化和电化学性能
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-03-27 DOI: 10.1016/j.jphotochem.2025.116414
Yu.B. Budnikova , M.S. Vasilyeva , I.V. Lukiyanchuk , V.S. Egorkin , V.V. Tkachev , V.V. Korochentsev , D.H. Shlyk , O.D. Arefieva , A.V. Marchenko , A.V. Myagchilov
{"title":"Plasma electrolytic preparation of film CoWO4/WO3 p-n heterostructures and their photocatalytic and electrochemical properties","authors":"Yu.B. Budnikova ,&nbsp;M.S. Vasilyeva ,&nbsp;I.V. Lukiyanchuk ,&nbsp;V.S. Egorkin ,&nbsp;V.V. Tkachev ,&nbsp;V.V. Korochentsev ,&nbsp;D.H. Shlyk ,&nbsp;O.D. Arefieva ,&nbsp;A.V. Marchenko ,&nbsp;A.V. Myagchilov","doi":"10.1016/j.jphotochem.2025.116414","DOIUrl":"10.1016/j.jphotochem.2025.116414","url":null,"abstract":"<div><div>Photoactive CoWO<sub>4</sub>/WO<sub>3</sub> coatings were fabricated by single-stage plasma electrolytic oxidation (PEO) of titanium in homogeneous electrolytes containing tungstate ions and stable EDTA-chelated Co(II) in different Co:W molar ratio. Changing the Co:W ratio in the electrolyte in the order of 1:3, 1:2, 1:1 allows obtaining coatings containing <em>o</em>-WO<sub>3</sub> and <em>m</em>-CoWO<sub>4</sub> in ratios approximately equal to 2:1, 1:1 and 2:3. The optical band gap values of the samples for direct allowed transitions are 2.5–2.6 eV. The formed CoWO<sub>4</sub>/WO<sub>3</sub> coatings exhibit photocatalytic activity in the methyl orange degradation (10 mg/L MO, 10 mmol/L H<sub>2</sub>O<sub>2</sub>, pH 6.8) when irradiated with visible and UV light. Under UV irradiation, the highest activity (82 % in 180 min) is exhibited by PEO-coated samples with a predominance of WO<sub>3</sub>, and in the visible region (33 % in 180 min) – by samples with CoWO<sub>4</sub>:WO<sub>3</sub> = 1:1. The photoactivity of the samples is due to the formation of <em>p</em>-CoWO<sub>4</sub>/<em>n</em>-WO<sub>3</sub> junction, which was detected in the Mott-Schottky plots.</div><div>The MO solution after photocatalytic tests was studied by COD, FTIR and GC–MS. It was found that MO degradation products are low-molecular compounds, derivatives of benzene and long-chain alkanes. Based on the data of electrochemical and optical measurements, a possible mechanism of MO degradation is proposed.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"467 ","pages":"Article 116414"},"PeriodicalIF":4.1,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768790","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
Stability, electronic, optical and vibrational spectra of copper octa-fluorophthalocyanine (F8CuPc) and its conformations : A DFT/TDDFT study 八氟酞菁铜(F8CuPc)及其构象的稳定性、电子、光学和振动光谱:DFT/TDDFT研究
IF 4.1 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2025-03-26 DOI: 10.1016/j.jphotochem.2025.116397
B.L. Pandi , C.L. Malonga Matanou , B.R. Malonda-Boungou , A.T. Raji
{"title":"Stability, electronic, optical and vibrational spectra of copper octa-fluorophthalocyanine (F8CuPc) and its conformations : A DFT/TDDFT study","authors":"B.L. Pandi ,&nbsp;C.L. Malonga Matanou ,&nbsp;B.R. Malonda-Boungou ,&nbsp;A.T. Raji","doi":"10.1016/j.jphotochem.2025.116397","DOIUrl":"10.1016/j.jphotochem.2025.116397","url":null,"abstract":"<div><div>We report on the energetics of formation, geometric optimization, ionization energies, Ultraviolet–visible (UV–Vis) spectroscopy, vibrational frequency analysis, and electronic properties of pristine Copper octa-fluorophthalocyanine (F<sub>8</sub>CuPc) and its four different conformations as obtained using the ground-state density-functional theory (DFT) and time-dependent density-functional theory (TDDFT) approaches. The conformations have been constructed by permutation and substitution between fluorine and hydrogen atoms of the F<sub>8</sub>CuPc. Based on the calculated formation energy, we found that one of the conformations, termed ’A’, is the most stable, and is even more stable than the widely known pristine F<sub>8</sub>CuPc. Our vibrational analysis show an absence of imaginary frequencies thus suggesting the stability of F<sub>8</sub>CuPc and its four conformations. The structural parameters obtained for the conformations are consistent with the available experimental and theoretical data. Across the conformations, the band gap, E<span><math><msub><mrow></mrow><mrow><mi>g</mi></mrow></msub></math></span> varies. Of particular interest is the <span><math><msub><mrow><mi>E</mi></mrow><mrow><mi>g</mi></mrow></msub></math></span>= 0.80 eV obtained for the most stable conformation A. Such a value of band gap makes this conformation of F<sub>8</sub>CuPc suitable for absorbing sunlight in the near-infrared region thereby making it useful for harvesting energy from this part of the solar spectrum. More interestingly is the fact that the electronic and optical properties of this important molecule, i.e Fe<sub>8</sub>CuPc can be tuned by permutations of the constituents atoms of fluorine and hydrogen. This opens the possibility of functionalization of surfaces or nanostructures with the conformations, for specific applications.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"466 ","pages":"Article 116397"},"PeriodicalIF":4.1,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143739784","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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信