ZnO掺杂对PVK∶Ir(ppy)3体系发光特性的影响

以无机纳米颗粒ZnO作为电子传输材料,并以不同质量比掺杂到PVK∶ Ir(ppy)3体系作为发光层制成一系列磷光器件,器件结构为:ITO/PVK∶ Ir(ppy)3∶ ZnO(100∶ 1∶ x)/ BCP/Alq3/Al, ZnO的掺杂浓度x分别为0;,1;,2;,5;,10;,研究了它们的电致发光特性.结果表明:合适比例ZnO掺杂可以改善器件的发光特性,ZnO的最佳掺杂量为1;,此时器件的相对发光强度是未掺杂的器件的4倍,器件的启亮电压也由未掺杂时的15.5 V降到了10.5 V.当掺杂浓度较大时,电子传输过多在电极另一侧形成漏电流,没有在发光层内进行电子与空穴有效复合,没有对发光起到作用,导致器件的发光性能下降.     

阴极缓冲层PVP的插入对聚合物太阳能电池性能的影响

研究了聚乙烯吡络烷酮(PVP)作为阴极缓冲层对P3HT/PCBM基聚合物太阳能电池光电性能的影响.PVP分别溶于二甲基乙酰胺(DMAC)、N-甲基吡咯烷酮(NMP)、乙二醇乙醚、丙酮等不同溶剂中,研究了其旋涂过程及其对活性层薄膜的影响.结果表明:PVP作为P3HT∶ PCBM的阴极缓冲层,由于其产生的自集聚效应使活性层与阴极之间形成良好的欧姆接触,有利于电子的传输.当在活性层上面旋涂溶于N-甲基吡咯烷酮(NMP)的聚乙烯吡络烷酮(PVP)的溶液时,聚合物太阳能电池的开路电压Voc为0.57 V,短路电流为Jsc为10.9 mA/cm2,填充因子FF为62;,能量转换效率PCE为3.95;.与未加阴极缓冲层PVP的标准电池器件效率(2.62;)相比,效率提高了50;.     

ZnWO4-ZnO复合光催化剂的制备及光催化性能

以ZnO及WO3为前驱反应物,制备了一系列不同ZnWO4含量的ZnWO4-ZnO复合光催化剂.利用X射线衍射、扫描电子显微镜及X射线能谱仪等手段对催化剂进行表征,并以紫外光为光源,罗丹明B为模拟污染物,评价催化剂的活性.结果表明,热处理温度及ZnWO4与ZnO摩尔比对催化剂光催化降解罗丹明B的活性影响显著.当复合4mol;ZnWO4,并于850 ℃煅烧所制得的ZnWO4-ZnO催化剂活性最高,比纯ZnO高出25;.这是因为ZnWO4的复合可抑制ZnO晶粒长大,提高光生电子与空穴的分离效率,进而改善其光催化活性.     

以B-γ-CsSnI3为光吸收层的平面异质结钙钛矿太阳能电池的模拟优化

采用AFORS-HET软件对以B-γ-CsSnI3作为光吸收层的平面异质结钙钛矿太阳能电池结构进行了模拟优化,其中TiO2作为电子传输层,Spiro-OMeTAD作为空穴传输层,讨论了钙钛矿太阳能电池光吸收层以及空穴传输层的各种参数对太阳能电池性能的影响.模拟优化得到B-γ-CsSnI3的PSCs最佳性能参数为:Voc=1.18 V,Jsc=24.48 mA/cm2,FF=80.04;,PCE=23.15;,效率虽略低于以CH3NH3PbI3作为光吸收层的钙钛矿太阳能电池,但考虑铅的毒性和钙钛矿电池的稳定性,以B-γ-CsSnI3作为光吸收层的PSCs将具有更好的应用前景.     

阳极光电性能对聚合物太阳电池性能的影响

为验证ITO的光电性能,以不同类型ITO作为光电阳极,采用旋涂与真空蒸镀的方法制备本体异质结聚合物太阳电池ITO/PEDOT∶ PSS/P3HT∶ PCBM/Al,研究了ITO表面形貌及光场分布对太阳电池光电性能的影响.结果表明,合适的ITO厚度及表面形貌能够在有效收集空穴的同时,提高光子透过率,保证有源层对光子的吸收.合适的ITO阳极厚度及表面形貌能够有效提高聚合物太阳电池的光伏性能,使得聚合物电池的效率从0.07;提升至1.30;.     

基于转移矩阵法的n-Si/n-Fe2O3光催化性能研究

对平衡态及光照下非平衡态的n-Si/n-Fe2O3/electrolyte的能带结构进行了分析,同时结合转移矩阵法定量地计算Si中不同能量的电子/空穴穿过n-Si/n-Fe2O3势垒并满足水氧化还原电势要求的透射系数,从而得出光照与Fe2O3厚度对Si中电子/空穴透射能量的影响.结果表明:Fe2O3层厚度(1～10 nm)与光电压的增大,均可以使Si中电子满足水还原反应电势要求所需的最小能量减小,同时使Si中空穴满足水氧化反应电势要求所需的最小能量增大.通过选择合适的Fe2O3厚度(～7 nm),可以使Si中的光生电子和光生空穴同时以较小的能量传输到电解液中并满足水氧化和水还原反应的电势要求.     

Al-N共掺杂ZnO的第一性原理研究

为了研究p型ZnO的掺杂改性,本文运用第一性原理密度泛函理论研究了未掺杂,Al、N单掺杂和Al-N共掺杂ZnO晶体的几何结构、能带结构、电子态密度.计算结果表明:未掺杂,Al、N单掺杂和Al-N共掺杂ZnO的超晶胞体积分别为0.2043 nm3、0.2034 nm3、0.2027 nm3、0.1990 nm3,带隙分别为0.72 eV、0.71 eV、0.60 eV、0.55 eV;N是比较理想的p型掺杂受主,若在禁带中再引入激活施主Al后,可填充的电子数由原来的19个增加到24个,N原子接受从价带跃迁的电子使价带产生非局域化空穴载流子,从而提高了晶体的导电性.与未掺杂,Al、N单掺杂相比,Al-N共掺杂ZnO具有更稳定的结构,更窄的带隙,更好的导电性,更有利于实现p型化.     

磁性Fe3O4@TiO2/ZnO的制备及光催化性能研究

通过水热法制备磁性Fe3O4@C纳米微球,分别将TiO2和ZnO负载到微球上得到磁性Fe3O4@TiO2/ZnO催化剂.利用扫描电镜、红外光谱和紫外漫反射光谱表征催化剂的形貌和结构性能.紫外漫反射光谱显示磁性Fe3O4@TiO2/ZnO的吸收带边红移,表明催化剂可以在更高的波长范围内吸收光波,且禁带宽度变大表明光生电子和空穴具有更强的氧化还原能力,因此具有更强的光催化活性.相比于磁性Fe3O4@TiO2,磁性Fe3O4@TiO2/ZnO催化剂对罗丹明B的降解率从65.33;增加到98.11;.循环使用5次后,磁性Fe3O4@TiO2/ZnO催化剂对罗丹明B的降解率仍保持92.05;,说明该催化剂具有易于回收和良好的循环稳定性.     

金属镍掺杂g-C3N4的制备及其光降解性能

采用浸渍法制备不同掺杂量的负载型光催化剂Ni/g-C3N4,并考察其在可见光照下对亚甲基蓝的光降解性能.利用XRD、FT-IR、SEM、TEM、XPS、N2-sorption和ICP-OES等手段表征Ni/g-C3N4样品.研究表明,Ni/g-C3N4催化剂的光催化活性随着金属镍粒子掺杂量的增加而增大,随着亚甲基蓝浓度的增大而减小,其中金属镍掺杂量4.0wt;的样品4-Ni/g-C3N4表现出优异的光催化活性和光降解稳定性.这是由于4-Ni/g-C3N4样品的光降解过程中产生了超氧自由基、羟基自由基和空穴等活性物质,其中超氧自由基起主导作用.金属Ni0离子在光生电子作用下生成Ni2+,O2分子得到电子生成O2·-自由基.这些活性物质的产生有助于光生电子-空穴对的分离和抑制其复合速率,从而实现可见光下高效催化降解亚甲基蓝.     

ZnO过渡层对Au/Hg3In2Te6肖特基接触特性的影响研究

利用脉冲激光沉积技术在Hg3In2Te6晶体表面制备ZnO过渡层,并对ZnO过渡层进行了表征.结合X射线光电子能谱深度剖析对ZnO/Hg3In2Te6界面元素的化合态进行研究,并通过半导体参数分析仪对Au/ZnO/Hg3In2Te6肖特基接触电学特性进行测试.研究结果表明,采用本实验条件可在Hg3In2Te6晶体表面获得结晶度高、表面粗糙度低,且沿(002)晶面择优生长的ZnO过渡层.同时,ZnO过渡层的引入使Au/Hg3In2Te6肖特基接触的漏电流降低一个数量级,势垒高度提高6.5;.这种现象可能是由于ZnO/Hg3In2Te6界面存在的互扩散使O原子占据了Hg原子空位,从而降低耗尽层中能级缺陷而引起.     

A review of measurement of thermophysical properties of silicon melt

Measurements of thermophysical properties of Si melt and supplementary study of X-ray scattering/diffraction by the authors' group were reviewed. The values obtained differed variously from those of literature. Density was 2–3% larger, surface tension 20–30% smaller, viscosity up to 40% larger, electrical conductivity 8% smaller, spectral emissivity more or less in good agreement with literature values, and thermal diffusivity a few percent larger. An anomalous density jump was found near the melting point. Surface tension and viscosity also showed anomaly. A strange time-dependent change of density was observed over 3 h after melting. X-ray analyses suggested a slight change in local atom ordering, but showed no sign of cluster formation. An addition of 0.1 at% gallium caused the density jump to disappear, while that of boron caused no change. An EXAFS study of the former melt indicated a strong interaction between Ga and Si atoms as if molecules of GaSi₃ existed. The implications of the measured properties are a possibility of soft-turbulence in an Si melt in a relatively large crucible, a more complicated manner of intake of oxygen depleted molten Si from the free surface region to underneath the growing crystal, and a relaxation of the melt after melting arising from trapped gas species.     

Effect of alumina on enthalpy of mixing of mixed alkali silicate glasses

The enthalpy of mixing of mixed alkali (Na₂O and K₂O) silicate glasses containing various concentrations of alumina was determined using an ion-exchange equilibrium method. For glasses with a constant alkali concentration, the enthalpy of mixing was found to become less negative with alumina addition. Consistent with our previous results on the enthalpy of mixing of alumina-free mixed alkali silicate glasses, the magnitude of enthalpy of mixing exhibited a good correlation with the molar volume mismatch of the corresponding two single alkali glasses as well as with the extent of conductivity mixed alkali effect, e.g. excess activation energy of conductivity, ΔE. The reduction of the magnitude of the enthalpy of mixing with alumina addition can be attributed to the reduction of non-bridging oxygen and ionic field strength. Combining the present results with results obtained earlier, the magnitude of the enthalpy of mixing for all mixed alkali (Na₂O and K₂O) silicate glasses with and without alumina was expressed by a simple function of a modified Tobolsky parameter, which takes into account the alkali concentration and the difference in cation-to-effective anion distances. The enthalpy of mixing data of the mixed alkali glasses was then compared with reported experimental data on the conductivity of mixed alkali aluminosilicate glasses. What appears to be conflicting experimental data can be understood in terms of the magnitude of the enthalpy of mixing and we can conclude that the mixed alkali effect is closely correlated with the negative enthalpy of mixing.     

Mesomorphism Dependence on the Position of Substitution of a Pair of Esters

A novel homologous series of ethylene derivatives of thermotropic liquid crystals has been synthesized. The methoxy to octyloxy derivatives are nematogenic, the decyloxy to tetradecyloxy derivatives are smectogenic, in addition to nematogenic, and the hexadecyloxy homologue is smectogenic only. All the members of the series are enantiotropically mesogenic. Thermotropic behavior was determined by an optical polarizing microscope equipped with a heating stage and Differential Scanning Calorimetry (DSC) study. Analytical and spectral data confirm the molecular structures of homologues (infrared, nuclear magnetic resonance, mass spectra, X-ray, and DSC data). Textures of the nematic phase are threaded or Schlieren and that of smectic phase are focal conic fan-shaped of smectic A or C. Transition curves of the phase diagram behave in a normal manner except one or two deviations from the normal trend. The mesophase range (Sm+N) varies from 3°C to 44°C. The average thermal stability for smectic is 93°C and that for nematic 117.4°C. The LC behavior of the novel series is compared with a structurally similar known series.     

原位氮化法制备TiN纳米粉体

用溶胶凝胶法合成的纳米TiO2粉体作为原料,将该粉体在氨气中进行原位氮化制备了TiN纳米粉体.用XRD,TEM,化学分析等手段对合成的TiN纳米粉体的物相组成、形貌、成分进行了分析.实验分析表明:在1000℃和1100℃下分别氮化5h,可以制备粒径大约为40nm和80nm的TiN粉体,其TiN的含量分别为95.40;和98.37;;而在1000℃条件下氮化时间减少到2h时,TiN的含量仅为58.36;.氮化温度和氮化时间是合成纳米TiN的重要因素,提高合成温度和延长氮化时间均可形成纯度较高的TiN纳米粉体,但延长氮化时间更有利于获得粒径小的氮化钛粉体.     

立方晶系晶体本征铁弹相变序参量的选取

在本征铁弹相变的软模理论的基础上,依据弹性本构关系和居里原理,给出了立方晶系晶体所有可能的自发应变的种类,研究了立方晶系晶体本征铁弹相变序参量的选取问题.以Th群和Oh群为例,阐明了不同类的序参量导致晶体对称性变化相同的的原因,提出了该情况下序参量选取的“就少不就多”的原则.得到了发生本征铁弹相变时所有可能的序参量及晶体的对称性的变化.     

Features of transformations in REE-containing systems of nitrate precursors in preparatory processes of formation of multifunctional oxide materials

Abstract

The complex study provides a reliable idea of ??the trends in the joint behavior of structural components in the water-salt systems of nitrate precursors of REE, alkaline, alkaline earth metals in the preparatory stages of the processes of forming multicomponent oxide polyfunctional materials on their basis with thermal activation. Stages of such transformations are revealed; The regularities of complex and phase formation in systems and factors influencing them are determined; A number of physicochemical properties of the intermediate phases formed - coordination lanthanides nitrates: their composition, types of compounds, atomic-crystalline structure, regularities of transformations during heat treatment were studied.     

On the influence of structural features of DNA on the possibility of metabolic transfer of electrons

Abstract

A fragment of a DNA molecule is considered as one of the channels of metabolic electron transfer. The heterogeneity of the complementary chains is effectively taken into account. This made it possible to find the speed of the electron injected into the DNA conduction band and the current density that it creates. Estimates of electron mobility in nucleic acid chains are made. They were an order of magnitude smaller than that of typical semiconductors. For the specific conductivity of nucleic acid chains, estimates provide a conductivity of one to two orders of magnitude lower than in graphite.     

Growth and characterization of semicarbazone of cyclohexanone

A new organic single crystal of semicarbazone of cyclohexanone (SCCH) has been synthesized and grown as a bulk single crystal by low temperature solution growth technique for the first time in the literature. The grown crystal has been confirmed by X‐ray diffraction and proton nuclear magnetic resonance spectral analyses and also characterized by FT‐ir and FT‐Raman studies. Thermal properties of the grown crystals were studied by thermogravimetric and differential thermal analyses. Optical transmittance was studied by ultraviolet‐visible spectrum and the second harmonic generation property was tested by using Q switched Nd: YAG laser as a source. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Influence of density of states on optical properties of GaSe thin film

A systematic investigation on the effect of substrate temperature on the structure, optical absorption and density of states of vacuum evaporated gallium monoselenide (GaSe) thin films is reported. The X‐ray diffraction analysis shows an occurrence of amorphous to polycrystalline transformation in the films deposited at higher‐temperature substrates (573K). The compositional analysis is made with Auger Electron Spectroscopy (AES). The thickness of the film (175nm) is measured by a multiple beam interferometery. Optical characteristics of the GaSe sample have been analyzed using spectrophotometer in the photon energy range of 1.0 ‐ 4 eV. The absorption mechanism has been recognized and the allowed indirect as well as forbidden direct transitions have been found. As‐deposited films show two indirect and allowed transitions due to spin‐orbit splitting of the valence band, as reported here for the first time. Low field conduction have enabled us to determine the density of states in amorphous and poly‐GaSe films. The amorphous and polycrystalline GaSe thin films have localized states density values of N (E_F) = 1.686 × 10¹⁷ cm^‐3 eV^‐1 and 1.257 × 10¹⁵ cm^‐3 eV^‐1 respectively. The experimental results are interpreted in terms of variations in the density of localized states due to progressive decrease of the unsaturated bonds during deposition. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

电子显微分析在表征纳米晶体化学组分中的应用

纳米材料的化学组分及含量影响其光、电、声、热、磁等物理性能,电子显微分析是表征纳米晶体化学组分的重要方法之一.本文综述了X-射线能谱(EDS)、X-射线波谱(WDS)、电子能量损失谱(EELS)和选区电子衍射(SAED)等现代电子显微分析技术在表征纳米晶体化学组分、形貌、尺寸和结构等方面的应用及其研究进展,并比较了这些分析方法存在的差异,提出了其应用中存在的不足及今后的研发方向.