基于P3HT空穴传输层的钙钛矿太阳能电池性能仿真研究

利用AMPS-1D软件对钙钛矿太阳能电池性能进行仿真.研究发现,当P3HT厚度500 nm时,钙钛矿太阳能电池的短路电流密度Jsc=18.995 mA/cm2,光电转换效率Ef=17.425;,填充因数FF=0.824,开路电压Voc=1.113 V.钙钛矿太阳能电池的光吸收层厚度为400 nm时,钙钛矿太阳能的光电转化效率最大.钙钛矿太阳能电池开路电压、短路电流密度、填充因数和光电转化效率等性能随着阴极材料功函数的增大而减.通过理论计算对制备高性能的太阳能电池具有指导性作用.     

基于掺杂二氧化硅包覆银纳米球的有机太阳能电池光吸收提高的研究

虽然介质包覆的金属纳米颗粒已经在试验中频繁应用到太阳能电池中,通过减少金属表面激子的猝灭和电荷的复合来提高电池性能.但是基本没有理论研究工作去解释金属颗粒的介质包覆层是如何影响器件的光学性能.本文从理论计算角度研究了二氧化硅包覆银纳米球掺杂在有机太阳能电池活性层中对活性层的光捕获的影响.研究结果表明在垂直入射的条件下,在350 nm到850 nm的波段内,加入包覆Ag纳米球的最优器件的活性层对标准太阳光谱(AM 1.5)积分后的光吸收率达到81.5;.与等效的平板结构相比,活性层的光吸收增强了9.54;.具体的场分布的分析得到光吸收增强原因主要是偶极共振、表面等离激元激发以及之间的相互耦合作用所致.经过对结构参数的研究,发现了介质包覆层越薄,增强效果越明显;包覆的介质层的折射率对光吸收性能的影响不是很明显.     

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.     

银纳米立方颗粒表面等离子激元增强β-NaYF4∶Er3+,Yb3+上转换的研究

分别采用化学还原法和共沉淀法合成银纳米立方颗粒和β-NaYF4∶Er3+,Yb3+上转换纳米发光材料.银纳米立方颗粒的表面等离子共振吸收宽带位于370 ～750 nm.在油酸溶液体系中,实现了银纳米立方颗粒对上转换纳米材料荧光的表面等离子激元增强,研究了银纳米立方颗粒的掺杂浓度对上转换红光和绿光发射的影响.当银纳米立方颗粒掺杂浓度为2.0;时,对β-NaYF4∶Er3+,Yb3+上转换发光增强达到最大.红光和绿光上转换发射对应的最大增强因子分别为1.97和1.79.     

柔性钙钛矿太阳能电池的研究进展

柔性钙钛矿太阳能电池因质轻、价廉的优点,有望实现大规模卷对卷应用生产和制成可穿戴移动式电源的目标,因而在有机-无机杂化钙钛矿太阳能电池研究领域占据着重要地位.目前该类电池的最高光电转换效率已超过16;.本文综述了近年以不同柔性基底材料制备的钙钛矿电池的研究进展,详细阐述了不同条件制备的电池各功能层及基底柔韧性对电池性能的影响,并探讨了未来柔性电池产业化面临的关键性问题,最后展望了柔性钙钛矿电池的发展趋势.     

钙钛矿太阳能电池中电子传输层现状研究

有机-无机杂化钙钛矿型太阳能电池(简称钙钛矿太阳能电池)的最高光电转换效率已经达到25.5%,是最有希望取代硅基太阳能电池并实现广泛应用的太阳能电池之一。作为钙钛矿太阳能电池的基本组成部分,电子传输层对电池的性能起着至关重要的作用。本文阐述了钙钛矿太阳能电池中电子传输层的种类、尺寸以及界面修饰等对器件性能的影响,为继续提升钙钛矿太阳能电池性能提供参考。     

氯离子添加剂对钙钛矿太阳能电池性能的调节

过去几年,有机无机杂化的钙钛矿太阳能电池在光伏领域引起了广泛地关注,钙钛矿电池性能提升的关键是制备高质量的钙钛矿薄膜,而引入添加剂是制备高质量钙钛矿薄膜的重要方法之一.本文引入了两种不同的添加剂(浓盐酸和PbCl2)到钙钛矿前驱体溶液中,通过不同摩尔比的掺杂来调控钙钛矿薄膜的结晶度和表面覆盖率.然后采用SEM、XRD和紫外可见吸收光谱等表征手段分析钙钛矿薄膜的性能.结果表明:少量的Cl-添加剂可以优化钙钛矿薄膜的性能,提高钙钛矿层的覆盖率和光吸收特性.当掺杂PbCl2:PbI2摩尔比为1:9时,钙钛矿电池的各项参数有明显的提升,电池的PCE达到了11.35;;作为对比,当掺入HCl:PbI2的摩尔比为1:9时,电池的PCE仅为6.19;.因此PbCl2是比浓盐酸更好的Cl-添加剂,可以改善钙钛矿薄膜质量和提升钙钛矿太阳能电池性能.     

倒置平面结构(p-i-n型)钙钛矿太阳能电池研究进展

自从2009年钙钛矿结构的材料首次应用到太阳能电池研究领域,由于其具有多方面优异的性能,在短短的几年内便得到了迅速的发展.目前,钙钛矿太阳能电池的最大光电转换效率已经达到了22.7;,且有进一步提升的趋势.相比于正置结构的钙钛矿太阳能电池,倒置平面结构的钙钛矿太阳能电池具有更低的成本和更简单的制备工艺,有望实现规模化应用.本文重点介绍了倒置结构钙钛矿太阳能电池的研究进展.首先介绍了钙钛矿太阳能电池的发展历程,然后详细介绍了倒置平面结构(p-i-n型)太阳能电池的结构和研究现状,最后总结了目前钙钛矿太阳能电池研究面临的几个亟需解决的问题,并对钙钛矿太阳能电池的研究和应用前景进行了展望.     

基于非弹性电子隧穿的表面等离激元激发

表面等离激元是一种存在于金属(或掺杂半导体)-介质界面的电磁极化和振荡现象,可以显著增强纳米尺度光与物质的相互作用,在波导、生化传感、超快调制、探测以及非线性光学等领域具有重要应用前景。表面等离激元的激发主要采用受衍射极限限制的光学激发方式,通常需要棱镜、光栅等大尺寸光学元件的辅助,这极大限制了等离激元器件的小型化和片上高密度集成。通过将等离激元纳米结构和隧道结集成起来,低能量的隧穿电子可以直接激发该结构的等离激元模式,具有超小尺寸、超快调制速度等优点。本文将回顾基于电子隧穿效应的表面等离激元激发的研究历史,并着重介绍该领域的最新研究进展。     

掺杂SrTiO3∶Sm3+的纳米TiO2光阳极的制备及其光电性能研究

采用水热法制备SrTiO3∶Sm3+纳米粉体,将其作为下转换剂掺杂于纳米TiO2光阳极.用X射线衍射仪(XRD)、扫描电子显微镜(SEM)、能谱分析仪(EDS)和荧光光谱仪对SrTiO3∶Sm3+粉体进行表征,并探讨了SrTiO3∶Sm3+掺杂量对染料敏化纳米TiO2太阳能电池光电性能的影响.结果表明:合成的SrTiO3∶Sm3+纳米粉体具有下转换功能,将紫外光转换为592 nm处的黄光,拓宽了光谱响应范围;随着SrTiO3∶Sm3+掺杂量的增加,电池的短路电流密度显著增大,当其掺杂量为10wt;时,电池的暗电流密度最小,光电转换效率最大为4.38;,相对于纯TiO2效率提高了27;.     

The structures of three trimethylarsine-boron trihalide adducts: (CH3)3AsBCl3, (CH3)3AsBBr3, and (CH3)3AsBI3

An X-ray structure analysis of three trimethylarsine-boron trihalide adducts has been undertaken. Crystals of (CH₃)₃AsBCl₃ and (CH₃)₃AsBBr₃ are monoclinic with space groupP2₁/m (No. 11) withZ=2 while those of (CH₃)₃AsBI₃ are orthorhombic with space groupPnma (No. 62) withZ=4. For (CH₃)₃AsBCl₃,a=6.497(3) Å,b=10.735(3) Å,c=7.070(2) Å,=111.8(3)°,V=458.4(3) ų,R=0.0343. For (CH₃)₃AsBBr₃,a=6.672(4) Å,b=11.135(7) Å,c=7.199(4) Å,=111.5(1)°,V=497.7(5) ų,R=0.0434. For (CH₃)₃ÅsBI₃,a=13.113(7) Å,b=11.733(5) Å,c=7.387(3) Å,V=1136.5(5) ų,R=0.0329. The As-B bond lengths are 2.065(6), 2.04(1), and 2.03(1) Å, respectively, for the chloride, bromide, and iodide. These and other structural parameters are discussed with reference to previous predictions based on vibrational spectra and previous structural studies on the trimethyl-phosphine and trimethylamine adducts.     

Crystal and molecular structures of three trimethylamine-boron halide adducts: (CH3)3NBCl3, (CH3)3NBBr3, and (CH3)3NBI3

X-ray diffraction data from single crystals of the trimethylamine complexes of the three boron halides, BCl₃, BBr₃, and BI₃, lead to aP2₁/m monoclinic cell containing two molecules for each complex. The unit cell dimensions area = 6·68(1),b = 10·247(3),c = 6·502(6) Å, =116·2(1)° (chloro);a = 6·86(1),b = 10·612(4),c = 6·737(6) Å, = 115·8(1)° (bromo);a = 6·92(2),b = 10·86(1),c = 7·147(6) Å, = 93·9(1)° (iodo). The structures were solved by three-dimensional sharpened Patterson functions and show only the chloro and bromo compounds to be isomorphous. Refinement of 662,718 and 954 observed reflexions for the chloro, bromo and iodo complexes, respectively, using anisotropic thermal parameters yielded conventionalR factors of 0·045, 0·087 and 0·054.The molecules are shown to possess a B—N dative bond, a staggered conformation, and effective 3m (C _3v) symmetry. Average C—N bond lengths are 1·52(1) Å for all three complexes. Boronhalogen bond lengths average 1·864(4), 2·04(2) and 2·28(2) Å, while B—N bond distances are 1·609(6), 1·60(2) and 1·58(3) Å, respectively, for the chloro through iodo compounds. Bond angles are approximately tetrahedral with the C—N—C angle decreasing by several degrees in the Cl Br I series.Based in part on a dissertation submitted by Patty H. Clippard to the Rackham School of Graduate Studies of the University of Michigan, January 1969 in partial fulfillment of the requirements of the Ph.D. Degree.     

Second harmonic generation properties of Ca3(O3C3N3)2 ‐Sr3(O3C3N3)2 solid solutions

Solid solutions of the second harmonic generation (SHG) materials Ca₃(O₃C₃N₃)₂ (CCY) and Sr₃(O₃C₃N₃)₂ (SCY) were prepared via exothermic solid state metathesis reactions from appropriate amounts of the corresponding metal chlorides and potassium cyanate at 525 °C. The change in SHG intensity caused by the successive cation substitution is reported. Differential thermal analyses are used to explore the SCY–K(OCN) phase diagram as a medium for the growth of SCY crystals.     

Growth and characteristic of Sr3Tb(BO3)3 crystal

A new borate single crystal of Sr₃Tb(BO₃)₃ with dimension Ф20×25 mm² has been grown by the Czochralski method. The grown crystal was characterized by DTA–TGA, FTIR and X-ray powder diffraction analysis. The results showed the crystal with [BO₃]^3? is congruently melting at 1351.35 °C which belongs to hexagonal structure. The hardness of Sr₃Tb(BO₃)₃ crystal is 422.5 VDH, and is equal to 5.0 moh. The thermal expansion coefficients were determined to be 2.08×10^?5/°C along (1 0 0) direction and 7.43×10^?6/°C along (0 0 1) direction and the transmission spectrum was measured in 320–1800 nm at room temperature. The magnetic properties of the single crystal were studied which showed its paramagnetism and magnetic anisotropy. The specific Faraday rotation of single crystal was measured at room temperature in 532, 633, and 1064 nm wavelength. The Verdet constants and magneto-optical figures of merit were investigated. The primary emphasis is laid to explore a new magneto-optical material, all the magneto-optical properties of Sr₃Tb(BO₃)₃ are comparing to the ones of TGG.     

Growth and magnetic‐optical properties of Sr3Gd(BO3)3 and Sr3TbxGd1‐x(BO3)3 single crystals

Single crystals of Sr₃Gd(BO₃)₃ (SGB) and Sr₃Tb_xGd_1‐x(BO₃)₃ (TSGB) with dimension Ø 20 mm×20 mm have been grown by Czochralski method. The grown crystals were characterized by X‐ray powder diffraction analysis which showed the crystals belong to hexagonal structure with lattice parameters of a=b=1.254 nm, c=0.926 nm (SGB) and a=b=1.253 nm, c=0.925 nm (TSGB). In TSGB, x=17.7% was obtained by X‐ray fluorometry which showed the segregation coefficient of Tb is closed to 1. The transmission spectrum was measured, which indicated the crystals have high transmittance in 400‐1100 nm region. The Faraday rotation of single crystals at 532 nm wavelength was measured at room temperature. Finally, the Verdet constants were investigated, (SGB) V=17.9 degcm^‐1T^‐1 and (TSGB) V=21.3 degcm^‐1T^‐1. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Tb3+,Yb3+共掺杂LuBO3荧光粉的下转换发光

利用水热法成功合成了近红外量子剪裁荧光粉LuBO3∶15;Tb3+,x; Yb3+(x=0,1,2,4,8,12).通过X射线衍射(XRD)、光致发光谱(PL)、激发谱(PLE)和荧光寿命测试了合成物质的物相结构与发光性质.在286 nm(Tb3+∶7 F6→5D)紫外光激发下,观察到了Tb3∶5D4→7Fj(J=6,5,4,3)可见波段特征发射光和Yb3+:2F5/2→2F7/2的近红外光.研究了Yb3+浓度与激发发射光谱和荧光寿命之间的关系,表明Tb3+和Yb3+之间存在能量传递.当Tb3和Yb3+掺杂摩尔浓度分别为15;和2;时,近红外发射最强.计算得知,其最大下转换量子效率为160.74;.     

3-Methyl-3a,4-Dihydro-3H-Thiochromeno[4,3-c]isoxazol

Abstract  The crystal structure of the title compound, C₁₁H₁₁NOS, was determined by an X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P2₁/c with cell parameters a = 10.533(2) ?, b = 12.7826(19) ?, c = 7.6491(17) ?, β = 107.997(17)^°, V = 979.5(3) ?³ and Z = 4. The S containing heterocycle adopts a sofa conformation, whereas the 5-membered ring adopts an envelope conformation. The crystal packing is characterized by weak C–H···N contacts and π-stacking interactions. Graphical Abstract  The title compound, 3-methyl-3a,4-dihydro-3H-thiochromeno[4,3-c]isoxazol was synthesized by an 1,3 dipolar cycloaddition reaction and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that the aromatic 6-membered ring is planar, whereas the ring containing the S atom adopts a sofa conformation and the 5-membered ring an envelope conformation. The methyl group is in an equatorial position.      

Second harmonic generation in Na3Gd2(BO3)3 crystals

Na₃Gd₂(BO₃)₃ crystals with dimensions up to 22 × 20 × 5 mm³has been grown from NaBO₂ flux by the top‐seeded solution growth (TSSG) method for the first time. Differential scanning calorimetry (DSC) result shows that Na₃Gd₂(BO₃)₃ melts incongruently. The infrared spectrum indicates that Na₃Gd₂(BO₃)₃ contains characteristic triangular [BO₃]^3– groups responsible for the nonlinear optical effect. For the as‐grown crystal, the transmittance exceeds 80% in the wavelength range of 315 nm to 2670 nm, and the UV cutoff wavelength is 207 nm. The damage threshold is 0.47 GW cm^–2 at 1064 nm. Moreover, Na₃Gd₂(BO₃)₃ crystal exhibits an optical second harmonic generation effect which is 1.3 times as large as that of KH₂PO₄ (KDP). (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)