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101.
总结了非平衡溶剂化新理论和在量子化学软件Q-Chem中基于含时密度泛函理论(TD-DFT)实现溶剂效应下计算电子吸收和发射光谱的数值解方法.采用该方法计算了染料敏化太阳能电池(DSSCs)中三苯胺型有机染料■在真空和乙腈溶剂中的电子结构与光谱性质,研究发现,π共轭桥上碳碳双键的个数和溶剂效应会促进光电转换. 相似文献
102.
The different oxidation states of sulphur atom play a significant role on functional materials. In this work, a aryl-thioether and its sulphone substituted benzo[c][1,2,5]oxadiazole dyes were synthesized and utilized to determine thiol-containing amino acids. The result of selectivity experiments showed they detected the cysteine and homocysteine under physiological condition with negligible interference from other amino acids. In comparison to the thioether dye, the sulphone-based dye exhibited much faster response time for Cys and Hcy. However, the sulphone restricted its thiol-reactivity and bioimaging performance in living cells. By reducing the oxidation state of sulphur atom, we amazedly found that the sulfoxide-based dye still maintained high selectivity ultrafast response time for Cys/Hcy under physiological condition. It was worth mentioning that it also had high reactivity and good bioimaging performance that sulfone compounds did not have. 相似文献
103.
Mapping of the Photoinduced Electron Traps in TiO2 by Picosecond X‐ray Absorption Spectroscopy 下载免费PDF全文
Dr. M. Hannelore Rittmann‐Frank Dr. Chris J. Milne Dr. Jochen Rittmann Dr. Marco Reinhard Dr. Thomas J. Penfold Prof. Majed Chergui 《Angewandte Chemie (International ed. in English)》2014,53(23):5858-5862
Titanium dioxide (TiO2) is the most popular material for applications in solar‐energy conversion and photocatalysis, both of which rely on the creation, transport, and trapping of charges (holes and electrons). The nature and lifetime of electron traps at room temperature have so far not been elucidated. Herein, we use picosecond X‐ray absorption spectroscopy at the Ti K‐edge and the Ru L3‐edge to address this issue for photoexcited bare and N719‐dye‐sensitized anatase and amorphous TiO2 nanoparticles. Our results show that 100 ps after photoexcitation, the electrons are trapped deep in the defect‐rich surface shell in the case of anatase TiO2, whereas they are inside the bulk in the case of amorphous TiO2. In the case of dye‐sensitized anatase or amorphous TiO2, the electrons are trapped at the outer surface. Only two traps were identified in all cases, with lifetimes in the range of nanoseconds to tens of nanoseconds. 相似文献
104.
Peripherally and Axially Carboxylic Acid Substituted Subphthalocyanines for Dye‐Sensitized Solar Cells 下载免费PDF全文
Dr. Mine Ince Dr. Anaïs Medina Dr. Jun‐Ho Yum Dr. Aswani Yella Dr. Christian G. Claessens Dr. M. Victoria Martínez‐Díaz Prof. Michael Grätzel Dr. Mohammad K. Nazeeruddin Prof. Tomás Torres 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(7):2016-2021
A series of subphthalocyanines (SubPcs) bearing a carboxylic acid group either at the peripheral or axial position have been designed and synthesized to investigate the influence of the COOH group positions on the dye‐sensitized solar cell (DSSC) performance. The DSSC devices based on SubPcs with axially substituted carboxylic acid groups showed low photovoltaic performance, whereas peripherally substituted one exhibited higher power conversion efficiency owing to improved injection from LUMO of SubPcs to the TiO2 conduction band. 相似文献
105.
106.
Spectrally dispersed femtosecond time-resolved coherent anti-Stokes Raman spectroscopy is utilized to study the ultrafast vibrational dynamics in rhodamine B dye in solution at room temperature. The anti-Stokes intensities are monitored as a function of time and wavenumber. By simply changing the timing of laser pulses, the vibrational dynamics of excited Raman transitions in rhodamine B molecules can be tracked and detected. 相似文献
107.
以硝酸铋和十六烷基三甲基溴化铵(CTAB)为Bi和Br源,采用聚乙烯吡咯烷酮(PVP)辅助溶剂热法首次成功制备了多孔纳米片聚结的柿饼状溴氧化铋(BiOBr)。通过多种分析技术对分级微米结构BiOBr材料的物化性质进行了表征,并对其在可见光照射下降解亚甲基蓝(MB)的光催化活性进行了评价。结果表明,溶剂热时间和PVP的加入量对产物的颗粒形貌和结晶度有显著影响。当加入0.7 g PVP时,120℃溶剂热处理12 h,可得到多孔纳米片聚结的柿饼状BiOBr样品。多孔柿饼状BiOBr样品的比表面积为4 m2·g^-1,带隙能为2.64 eV,在可见光区具有较强的光吸收性能,具有良好的可见光驱动降解MB的光催化活性和稳定性。我们推断,多孔纳米片聚结的柿饼状BiOBr样品具有优良的可见光催化性能,这与该样品的较高比表面积、多孔结构、低带隙能以及独特的颗粒形貌有关。 相似文献
108.
Hydrothermal carbonaceous materials and MnO2 have been proved to be promising adsorbents to remove organic dyes from wastewater. In this study, flexible MnO2 loaded hydrothermal carbon-coated electrospun poly-acrylonitrile(AC/MnO2/PAN) fiber membranes were fabricated by a facile one-step hydrothermal method and activated by NaOH solution. The composite fibers exhibited large adsorption capacity toward cationic dyes and excellent mechanical properties. The adsorption performance can be fitted well with pseudo-second-order model and Langmuir isotherm model. The maximum adsorption for methylene blue(MB), methyl violet(MV) and malachite green(MG) are 1173.27,1106.31 and 1129.89 mg/g, respectively, according to Langmuir fitting. The AC/MnO2/PAN fiber membrane also showed satisfactory performances for selective adsorption and recyclability. In addition, based on selective adsorption, the AC/MnO2/PAN fiber membranes that are repulsive to the anionic dye methyl orange(MO) can separate the MB/MO mixture solution by dynamic filtration. Thus, this work not only provides a facile strategy to fabricate large capacity adsorbents, but also demonstrates the potential applications in the dye wastewater treatment field. 相似文献
109.
Textile dyes appear as an important class of compounds that has become a matter of public concern and a serious challenge for scientists and environmentalists due to their large‐scale production and extensive application. In this work, a non‐conventional competitive‐type amperometric immunosensor was successfully developed for detection of the textile dye Disperse Orange 1 (DO1). The DO1 was magnetically captured and separated from the sample solution using magnetic particles (MP) functionalized with the antibody anti‐DO1 and with HRP and gold electrodes were modified with the conjugate DO1‐BSA. Molecules of DO1 immobilized on the electrode surface and DO1 captured by MP compete for antibody binding sites. As a result, the amperometric signal decreases with increasing target DO1 concentration at the capture step, because this decreases, the attachment between the HRP coated MP and the electrode. This strategy allowed us to determine DO1 at the low detection limit of 0.87 ng mL?1 with great specificity. Also, there were good recoveries for detection of the textile dye in river water samples without the need of sample pre‐treatment. The competitive amperometric immunosensor shows applicability for the determination of small molecules that cannot be determined by conventional competitive or sandwich immunosensors. 相似文献
110.
Armaan GÜNSEL Aye USLUOLU Ahmet Turgut BLGL TOSUN Büra Gülnur ARABACI Meryem Nilüfer YARAIR 《Turkish Journal of Chemistry》2020,44(4):923
This work reports on dyeing of nylon/elastane fabric with water-soluble phthalocyanines ( 1-4 ) bearing quinoline 5-sulfonic acid substituents on the peripheral or nonperipheral positions and determining the antibacterial efficiency of the phthalocyanine compounds and the dyed nylon/elastane fabrics. The light, washing, water, perspiration, and rubbing fastness properties of nylon/elastane fabrics dyed with phthalocyanines were also determined. The results showed that all dyed fabrics showed very good wet fastness values. The lightfastness value of the nylon/elastane fabric dyed with phthalocyanine dye ( 1 ) showed a much better value than the others. Also, the antibacterial efficiencies of the dyed nylon fabrics and the dye compounds were investigated against a gram-negative ( Escherichia coli ) and a grampositive ( Staphylococcus aureus ) bacteria by using disc diffusion method. The results showed that the dyed nylon/elastane fabrics and the compounds exhibited antibacterial activities against both bacteria. 相似文献