电沉积法制备固态染料敏化太阳能电池

本文采用一步电化学沉积的方法在导电玻璃上先后沉积了ZnO/染料复合薄膜以及CuSCN薄层,实现仅以电沉积法制备结构为ZnO/染料/CuSCN的固态染料敏化太阳能电池,电池的光电转换效率达到0.1%.在电沉积CuSCN前,脱附电沉积制备的ZnO/染料复合薄膜中的染料以形成多孔ZnO薄膜,然后通过染料再吸附得到染料敏化ZnO纳晶多孔薄膜.在电沉积过程中,ZnO和CuSCN的晶体尺寸、晶体取向和膜层形貌都可以进行比较精准的控制.探讨了影响沉积薄膜形貌和光电转换效率的因素,如旋转圆盘电极的旋转速度、电沉积温度以及染料敏化剂的选择.本文报道的低温电沉积制备全固态太阳能电池的方法为制备柔性染料敏化太阳能电池提供了一种新的思路.     

基于电沉积技术制备ZnS量子点/海藻酸盐复合膜及其检测应用

基于电沉积技术发展了一种原位制备ZnS量子点及其海藻酸盐复合膜的方法,此方法具备可控性好、步骤简单、条件温和、绿色环保等优点.实验结果表明,电沉积后可以在电极上形成ZnS量子点/海藻酸锌复合膜,该复合膜表面光滑无气泡,在302 nm紫外光下呈现清晰的蓝色荧光.透射电镜测试和光谱分析结果表明复合膜中存在ZnS量子点,其平均粒径为3.0 nm.利用电沉积技术的可控性和空间选择性以及ZnS量子点的荧光性能,可以制备出具备不同形状和荧光图案的复合膜.此外,利用电沉积技术制备的ZnS量子点/海藻酸锌复合膜同时具备荧光检测和电化学检测的能力,在双模式检测以及构建双模式检测器方面具备应用前景.     

纳米结构ZnO在TiO_2薄膜上的电化学沉积及其表征

在三电极体系中,以硝酸锌水溶液作为电解液,采用阴极还原电沉积法成功实现了一维纳米结构ZnO阵列在TiO2纳米粒子/ITO导电玻璃薄膜基底上的沉积,并通过XRD、SEM、EDS和PL光谱等方法对样品进行了表征.重点研究了薄膜基底、电解液浓度、沉积时间、六次亚甲基四胺(HMT)的引入对ZnO沉积及其发光性质的影响.结果显示:与ITO玻璃基底相比,ZnO更易于在TiO2纳米粒子薄膜上实现电化学沉积.ZnO属于六方晶系的铅锌矿结构,并且沿着c-轴方向表现出明显的择优化生长,以形成垂直于基底的ZnO纳米棒阵列.延长沉积时间、增加电解液浓度和引入一定量的HMT等均对ZnO的生长有促进作用,进而使其纳米棒的结晶度和取向程度提高,进而解释了所得的薄膜分别约在375和520nm处表现出ZnO的强而窄的带边紫外光发射峰和弱而宽的表面态绿光发射带.     

Ti基ZnO纳米棒阵列的制备及其光催化性能研究

采用两电极体系中恒电流电沉积在Ti基底上制得较均一的ZnO纳米棒阵列,利用SEM和XRD观察表征样品,研究Zn(NO₃)₂浓度及电流密度对ZnO纳米棒阵列微观形貌的影响. 以甲基橙为目标降解物,考察该电极光催化性能. 结果表明,Zn(NO₃)₂浓度和电流密度对纳米棒阵列的形貌有显著影响;与ITO玻璃等其他基底相比,在Ti基底上也可沉积较好均一取向的ZnO纳米棒阵列;紫外灯照射下,ZnO/Ti电极对甲基橙（10 mg·L^-1）模拟印染废水降解2.5 h,降解率达到83.3%,光催化活性较佳;无光照时ZnO纳米棒的降解率仅7%.     

基于ZnO光阳极的染料敏化太阳电池

本文全面介绍了基于ZnO光阳极的染料敏化太阳电池的研究和应用现状,特别是ZnO光阳极的制备方法,包括传统的手术刀法、丝网印刷技术和电沉积自组装方法,以及最近发展起来的机械挤压法、化学液相沉积法、化学气相沉积法和低温水热法等,对不同制备薄膜方法的工艺条件和优缺点进行了综述.同时介绍了微/纳米复合结构和直线电子传输对光电转换效率提高的作用.指出了ZnO太阳电池未来发展方向是:探索制备ZnO电极的新形貌和新方法,寻找性能更加优异的染料,以提高ZnO太阳电池的光电转换效率.     

温度对ZnO薄膜电沉积的影响

通过0.1 mol·L-1 Zn(NO3)2体系在不同温度下的电势-pH图、组分的分布系数和ZnO/Zn(OH)2沉淀的溶解度热力学计算得出最佳电沉积实验条件及最终沉积产物. 随后用沉积过程的循环伏安曲线、电流密度-时间曲线、薄膜的X射线粉末衍射(XRD)、扫描电子显微镜(SEM)和热重-差热(TG-DSC)实验结果验证了热力学理论分析. 光学研究发现, ZnO薄膜在可见光区具有高透光度(>80%)和较为陡峭的吸收边缘. 提出硝酸锌水溶液中电沉积ZnO的反应机理.     

基于ZnO光阳极的染料敏化太阳电池的研究

本文全面介绍了基于ZnO光阳极的染料敏化太阳电池的研究和应用现状,特别是ZnO光阳极的制备方法,包括传统的手术刀法、丝网印刷技术和电沉积自组装方法,以及最近发展起来的机械挤压法、化学液相沉积法、化学气相沉积法和低温水热法等,对不同制备薄膜方法的工艺条件和优缺点进行了综述.同时介绍了微/纳米复合结构和直线电子传输对光电转换效率提高的作用.指出了ZnO太阳电池未来发展方向是:探索制备ZnO电极的新形貌和新方法,寻找性能更加优异的染料,以提高ZnO太阳电池的光电转换效率.     

海藻酸锌纤维热降解法制备氧化锌纳米结构

采用天然高分子海藻酸钠为原料, 以氯化锌水溶液为凝固浴, 通过湿法纺丝技术成功制备了海藻酸锌(Alg-Zn)纤维.通过在空气中不同温度下对所得海藻酸锌纤维进行热处理, 得到了多种ZnO纳米结构. 利用热失重分析(TG)、X射线衍射(XRD)、电子能量损失谱(EELS)、扫描电子显微镜(SEM)、透射电子显微镜(TEM)和高分辨透射电子显微镜(HRTEM)等手段对产物的组成、形貌和微观结构进行了详细表征. 结果表明, 焙烧温度和时间对所得ZnO纳米结构的尺寸和形貌具有重要影响; 800 ℃下热处理24 h以上可以得到直径约为120 nm的ZnO纳米棒. 通过仔细考察不同热处理时间得到的ZnO纳米结构, 提出了在焙烧条件下ZnO纳米棒的生长机理.     

电磁功能高分子复合物研究进展

综述了兼具电、磁性质的高分子复合物的最新研究进展.重点评述了通过原位聚合、电化学沉积、自组装等方法制备电磁功能高分子复合物的过程及形成机制,并对电磁功能高分子复合物的潜在应用作了介绍.     

ZnO及其含锌混合氧化物薄膜的充放电性能研究

从充放电性能、晶体结构等方面考察了包括粉末状的ZnO、脉冲激光沉积方法制备的ZnO薄膜和含锌混合氧化物薄膜的电化学性质.结果表明,ZnO粉末制备的电极的嵌入容量随退火温度的升高而增大,掺入其他氧化物可以明显改善ZnO薄膜的电化学性能,在Ar气氛中,基片温度为400℃时,沉积的靶子成分为Zn:B:P:Al=1:1:0.5:0.5(摩尔比)的含锌混合氧化物薄膜具有较高的可逆容量,且循环性能良好.     

CO在Pt及其合金表面电化学氧化和吸附的理论研究

文本综述了CO在Pt及其它过渡金属上电化学氧化机理的量子化学研究现状。系统论述了密度泛函理论计算在催化剂对CO电氧化的作用机制和CO与金属间吸附、成键及振动频率方面所给出的详细信息, 并指出了量子化学计算结果对于电极催化剂设计的指导意义。最后, 指出了目前量子化学计算的局限性并展望来其未来发展趋势。     

Studies on the Adsorption and Dissociation of Methane and Carbon Dioxide on Nickel

The adsorption and dissociation of methane and carbon dioxide for reforming on nickel catalysts were extensively investigated by TPSR, TPD, XPS and pulse reaction methods. These studies showed that the decomposition of methane results in the formation of at least three kinds of surface carbon species on supported nickel catalysts. Carbidic Cα, carbonaceous Cβ and carbidic clusters Cγ surface carbon species formed by the decomposition of methane demonstrated different surface mobility, thermal stability and reactivity. Carbidic Cα is a very active and important intermediate in carbon dioxide reforming with methane, and the carbidic clusters Cγ species might be the precursor of surface carbon deposition. The partially dehydrogenated Cβ species can react with H2 or CO2 to form CH4 or CO. On the other hand, it was proven that CO2 can be weakly adsorbed on supported nickel catalysts, and only one kind of CO2 adsorption state is formed. The interaction mechanism between the species dissociated from CH4 and CO2 during reforming was then hypothesized.     

柴油脱硫的机理研究以及反应中的溶剂效应

柴油的脱硫技术分为加氢脱硫和非加氢脱硫。在非加氢脱硫的研究中,氧化脱硫技术具有反应条件温和、不使用昂贵的氢气、投资和操作费用低等优点日益受到重视。文章介绍了柴油的脱硫技术的机理方面的研究进展。其中包括加氢脱硫的反应网络;以及氧化脱硫研究中,光化学氧化体系和有机过氧化物氧化体系中DBT的氧化机理。在不同的反应体系中,溶剂对含硫化合物的脱除也有很大的影响.     

Investigations on hopeite- and phosphophyllite-containing phosphate coatings on steel

A series of phosphate coatings on steel produced by different procedures and containing differing contents of hopeite and phosphophyllite, are investigated by SEM, XRD, XRF on removed coatings, AES, ESCA, and EDX microanalysis. The morphology of the coatings is mainly determined by the procedure employed (spray or immersion). The hopeite/phosphophyllite ratio of the layers depends on the phosphating bath composition and is quantitatively determinable with sufficient accuracy by XRD, XRF on the removed phosphate layers, and AES. Further results are that an immersion time of more than 60 s does not considerably increase the layer thicknesses and that the first-grown crystalline layers on the steel sheets are hopeite-enriched.     

Mechanical and electrochemical effects on surface convection and on emulsification new criteria

Theoretical and experimental studies of surface instability for charged and polarized interfaces between two immiscible liquids are reviewed. A linear analysis of stability shows the role of mechanical and electrochemical para meters for the onset of interfacial convection. Three cases are studied: 1) For the restored Boltzman distribution in bulk phases, the stability is only governed by the interfacial tension through the composition between mechano-chemicaland electrical contributions to the surface free energy; 2) for the non-restored Boltzman distribution, the stability is also governed by the discontinuity of mechanical quantities (density-viscosity) associated with the discontinuity of electrochemical and electrical quantities (dielectric constant-solute concentration-diffusion coefficient, potential drop); and 3) for concentrated charged and dipolar monolayers, the convection criteria of stability are directly related to the discontinuity of mechanical quantities (density-viscosity) associated with the discontinuity of electrochemical quantities (dielectric constant).Additional experiments on emilsification and demulsification were performed in order to verify this last theoretical prediction.     

Theoretical investigations on electronics structure and chemical bonding on iridathiabenzene and iridaoxabenzene

The electronic structure and properties of the iridathiabenzene and iridaoxabenzene isomers have been investigated using the hybrid density functional mpw1pw91 theory. The energetic aspect shows that trans-ortho-isomer is the most stable isomer. This is compatible with principles of minimum energy and minimum polarizability. Molecular orbital analysis shows a linear correlation between hardness and anisotropic polarizability values for Iridathiabenzene and iridaoxabenzene isomers. The structural and natural bond analysis (NBO) results illustrate electronic delocalization in these rings. Also, the study of non linear optical properties of these molecules indicate a good correlation between β_tot and E(HOMO) for iridathiabenzene. The results from natural bond orbital (NBO) analysis have provided insights into Ir—ligand, P—H_apical and P—H_basal bonding.     

Hydrogen Electrocatalysis on Single Crystals and on Nanostructured Electrodes

We investigate hydrogen evolution on plain and nanostructured electrodes with a theory developed by us. On electrodes involving transition metals the most strongly adsorbed hydrogen is often only a spectator, while the reaction proceeds via a weakly adsorbed species. For Pt(111) the isotherms for both species are calculated. We explain why a nanostructure consisting of a monolayer of Pd on Au(111) is a good catalysts, and predict that Rh/Au(111) should be even better. Our calculations for a fair number of metals are in good agreement with experiment.     

Studies on the Adsorption and Dissociation of Methane and Carbon Dioxide on Nickel Catalysts

The adsorption and dissociation of methane and carbon dioxide for reforming on nickel catalysts were extensively investigated by TPSR, TPD, XPS and pulse reaction methods. These studies showed that the decomposition of methane results in the formation of at least three kinds of surface carbon species on supported nickel catalysts. Carbidic Cα, carbonaceous Cβ and carbidic clusters C-γ surface carbon species formed by the decomposition of methane demonstrated different surface mobility, thermal stability and reactivity. Carbidic Cα is a very active and important intermediate in carbon dioxide reforming with methane, and the carbidic clusters Cγ species might be the precursor of surface carbon deposition. The partially dehydrogenated Cβ species can react with H2 or CO2 to form CH4 or CO. On the other hand, it was proven that CO2 can be weakly adsorbed on supported nickel catalysts, and only one kind of CO2 adsorption state is formed. The interaction mechanism between the species dissociated from CH4     

基于分子模拟和光谱法分析漆酶与甲酚的相互作用

该文运用计算模拟与光谱法研究了甲酚与漆酶的相互作用。首先,计算模拟表明漆酶与3种甲酚同分异构体都能发生相互作用,分子对接研究结果表明漆酶与甲酚同分异构体能以氢键和疏水作用力相结合,且结合位点相似。通过分子动力学模拟比较漆酶结合甲酚前后残基的柔性差异,验证了分子对接结合位点的可靠性。其次,选取计算模拟中结果较好的间甲酚,利用光谱法探究间甲酚与漆酶的荧光猝灭机制及结合前后漆酶二级结构的变化。荧光猝灭实验证实漆酶与间甲酚间是形成非荧光复合物的静态猝灭,与分子对接结果一致。红外光谱研究结果表明,漆酶与间甲酚结合后二级结构发生变化,其内部的β-转角和β-反向平行结构向β-折叠、无规则卷曲和α-螺旋结构转化,这与分子动力学模拟结果相呼应。该研究为利用漆酶转化环境中甲酚污染物提供了理论基础与数据支持。