排序方式: 共有72条查询结果,搜索用时 189 毫秒
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合成了3个钌髤配合物,[Ru(bpy)2(SB)](PF6)2、[Ru(bpy)(SB)2](PF6)2和[Ru(SB)3](PF6)2(bpy=2,2′-bipyridine,SB=4,5-diaza-9,9′-spirobifluorene),通过核磁和元素分析对配合物的结构进行了确定。[Ru(bpy)2(SB)](PF6)2通过X射线单晶衍射确认了结构。研究了配合物的光物理性能。结果表明[Ru(bpy)2(SB)](PF6)2在乙腈中的发桔红光,波长为606 nm,量子产率约为0.001 2。在同样条件下[Ru(bpy)(SB)2](PF6)2和[Ru(SB)3](PF6)2的发光非常微弱甚至几乎没有发光。还研究了这些配合物的电致化学发光性能。随着配体中SB含量的增加,发光的峰电压从1.36 V增加到1.58 V,相对发光强度从731降低到52。 相似文献
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烃基酚类化合物对四膜虫毒性的定量结构-活性相关研究 总被引:2,自引:0,他引:2
在B3LYP/6-311G*水平上全优化计算了41个烃基苯酚的量子化学参数,连同取代烃基位置编码参数共同表征有机物的分子结构,应用基于预测的模型变量选择方法(VSMP)选择描述子最佳子集,建立了偶极距(μ)和分子平均极化率(α)与烃基苯酚对梨形四膜虫水生毒性pIGC50 两变量线性QSAR模型,模型的相关系数r为0.9434,均方根误差RMSE为0.2548,LOO交叉验证相关系数Q为0.9170,均方根误差RMSV为0.3066;为检验模型的稳定性和预测能力,将41个样本分作了奇数集和偶数集,分别建立了模型,并用y-Randomization方法对全部样本、奇数集和偶数集所建立的模型进行了检验;建立的奇数集和偶数集模型均满足Tropsha研究小组建议的预测能力标准. 相似文献
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本文合成了3个新钌(Ⅱ)配合物,[Ru(bpy)2(SB)](PF6)2、[Ru(bpy)(SB)2](PF6)2和[Ru(SB)3](PF6)2(bpy=2,2’-bipyridine,SB=4,5-diaza-9,9’-spirobifluorene),通过核磁和元素分析对配合物的结构进行了确定。[Ru(bpy)2(SB)](PF6)2通过X射线单晶衍射确认了结构。研究了配合物的光物理性能。结果表明[Ru(bpy)2(SB)](PF6)2在乙腈中的发桔红光,波长为606nm,量子产率约为0.0012。在同样条件下[Ru(bpy)(SB)2](PF6)2和[Ru(SB)3](PF6)2的发光非常微弱甚至几乎没有发光。还研究了这些配合物的电致化学发光性能。随着配体中SB含量的增加,发光的峰电压从1.36V增加到1.58V,相对发光强度从731降低到52。 相似文献
4.
Zhong-Sheng Wang Chun-Hui Huang Fu-You Li Shi-Fu Weng Shu-Ming Yang 《Journal of photochemistry and photobiology. A, Chemistry》2001,140(3):989-262
Self-assembled films (SA films) of 3,4,9,10-perylenetetracarboxylic acid (PTA) (Film P) and II B group metal-ion-bridged PTA (Film PMP, M=Zn2+, Cd2+, or Hg2+) were fabricated on nanocrystalline TiO2 electrodes and characterized with UV–VIS and IR spectra and XPS. Compared with Film P sensitized solar cell, Grätzel cells based on individual PMP electrodes are more efficient regarding photocurrent generation. Synchrotron radiation photoelectron spectroscopy (SRPES) study reveals that those HOMO energy levels of PMP films are greater than that of Film P. The higher HOMO energy levels will lead to higher excited state energy levels that benefit electron injection, and hence, increase efficiencies for photocurrent generation. In view of the invariable valence of Zn2+, Cd2+, and Hg2+ ions, electron injection should be attributed to ligand, but not to the central metal ions, like the case of Ru(II)–bipyridyl complex. 相似文献
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CrystalandMolecularStructureofOMPCTFWangRui-Yao;JinZhong-Sheng(LaboratoryofRareEarthChemistryandPhysics,ChangchunInstituteofA... 相似文献
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Hara K Wang ZS Sato T Furube A Katoh R Sugihara H Dan-Oh Y Kasada C Shinpo A Suga S 《The journal of physical chemistry. B》2005,109(32):15476-15482
We have developed oligothiophene-containing coumarin dyes fully functionalized for dye-sensitized nanocrystalline TiO(2) solar cells (DSSCs). DSSCs based on the dyes gave good performance in terms of incident photon-to-current conversion efficiency (IPCE) in the range of 400-800 nm. A solar energy-to-electricity conversion efficiency (eta) of 7.4% was obtained with a DSSC based on 2-cyano-3-[5'-(1,1,6,6-tetramethyl-10-oxo-2,3,5,6-tetrahydro-1H,4H,10H-11-oxa-3a-aza-benzo[de]anthracen-9-yl)-[2,2']bithiophenyl-5-yl]acrylic acid (NKX-2677) under simulated AM 1.5G irradiation (100 mW cm(-2)) with a mask: short-circuit current density (J(sc)) = 13.5 mA cm(-2); open-circuit voltage (V(oc)) = 0.71 V; fill factor (FF) = 0.77. Transient absorption spectroscopy measurements indicated that electron injection from NKX-2677 to the conduction band of TiO(2) is very rapid (<100 fs), which is much faster than the emission lifetime of the dye (1.0 ns), giving a highly efficient electron injection yield of near unity. 相似文献
7.
We found that Br-/Br3- is more suitable than an I-/I3- couple in dye-sensitized solar cells in terms of higher open-circuit photovoltage (Voc) production and higher overall energy conversion efficiency (eta) if the dye sensitizer has a more positive potential than that of Br-/Br3-. Under simulated AM1.5 one sun, an eosin Y dye-sensitized solar cell containing 0.4 M LiBr + 0.04 M Br2 electrolyte in acetonitrile yielded a short-circuit photocurrent (Jsc) of 4.63 mA cm(-2), Voc of 0.813 V, and fill factor (FF) of 0.693, corresponding to 2.61% of eta. Under the same conditions except for the electrolyte 0.4 M LiI + 0.04 M I2 in acetonitrile instead, the device produced 1.67% of eta (Jsc = 5.15 mA cm(-2), Voc = 0.451 V, FF = 0.721). Replacement of I-/I3- with Br-/Br3- in eosin Y dye-sensitized solar cells yielded a significant increase in Voc offset by slight decreases in Jsc and FF, leading to an increase in eta by 56%. The significant gain in Voc was attributed to the enlarged energy level difference between the redox potential of the electrolyte and the Fermi level of TiO2 and the suppressed charge recombination as well. The rate for charge recombination between bromine and the injected electrons was determined to be first order in bromine. 相似文献
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以石墨烯复合粉末为添加剂,采用一步水热法制备了一种SnS2/GCP微米复合材料。在所得到的复合材料中,SnS2纳米片相互缠绕组成多孔球状SnS2颗粒,石墨烯复合粉末均匀的包裹在球状SnS2颗粒表面。将所制备的SnS2/GCP微米复合材料用作锂离子电池负极材料测其电化学性能。结果显示,在0.1 A·g-1的电流密度下可逆比容量为795.6 mAh·g-1,循环100次后比容量损失不到1%。相比于SnS2其比容量和循环稳定性得到了明显改善,主要是由于石墨烯复合粉末的加入,不仅缓解了SnS2颗粒在充放电过程中的团聚和体积膨胀,而且还提高了SnS2颗粒的电导率。 相似文献
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Protons of N3, cis-bis(thiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylic acid)ruthenium(II), were in situ exchanged on N3-loaded TiO2 films with alkali-metal, tetrabutylammonium, and guanidinium cations. This simple strategy improved the open-circuit photovoltage (V(oc)) significantly, resulting in enhancement of the power conversion efficiency by 10-25%. Electrochemical impedance spectra revealed that the in situ proton exchange of the N3-loaded film suppressed charge recombination between injected electrons and I(3-) ions in the electrolyte, which, together with the negative shift of the conduction band edge for TiO2, may account for the remarkably increased V(oc) upon proton exchange of N3. 相似文献