单质靶溅射制备CZTS薄膜及太阳电池

采用单质靶磁控溅射制备Cu2ZnSnS4 (CZTS)薄膜,研究了薄膜的元素组分、升温速率、硫化温度对薄膜表面平整性以及晶粒尺寸的影响.通过SEM与AFM表征薄膜的表面形貌与表面粗糙度,用EDS检测薄膜的元素组分.所制备的样品的Cu/(Zn+ Sn)、Zn/Sn处于最优范围.通过XRD及Raman检测薄膜的结晶情况以及薄膜中的二次相,经上述测试分析判定CZTS薄膜品质良好.最终制备出以CZTS为吸收层的薄膜太阳电池,并用Ⅰ～V特性检验了CZTS电池性能参数,得到效率为0.83;的CZTS薄膜太阳电池,并通过改进硫化退火工艺将效率提高至1.58;.     

不同硫化温度对Cu2ZnSnS4薄膜质量及太阳能电池性能的影响

采用ZnS-Sn-CuS作为靶材,利用磁控溅射技术制备了Cu2ZnSnS4 (CZST)薄膜材料及太阳电池,重点研究了不同硫化温度对CZTS薄膜质量及太阳电池性能的影响.利用X射线衍射仪(XRD)、扫描电子显微镜(SEM)、能谱仪(EDS)、显微拉曼光谱仪(Raman)和紫外可见分光光度计(UV-Vis)分别表征了不同硫化温度下制备的CZTS薄膜的晶相结构、表面形貌、化学组分、相的纯度和光学性能.结果表明:在580℃下所制备的CZTS薄膜光滑致密、结晶质量好,同时化学组分属于贫铜富锌,而且无其他二次相,禁带宽度约为1.5 eV.符合高效率太阳电池吸收层的要求.将CZTS吸收层按照SLG/Mo/CZTS/CdS/i-ZnO/ITO/ Al的结构制备成面积为0.12 cm2的电池并进行Ⅰ-Ⅴ测试.测试结果表明,在580℃硫化后制备的CZTS薄膜太阳电池具有最高的转换效率为3.59;.     

预制层衬底加热对Cu2ZnSnS4薄膜性能的影响

本文采用二步法制备Cu2ZnSnS4(CZTS)薄膜,首先通过真空热蒸发制备CuZnSn (CZT)预制层,其衬底加热温度分别为20℃、50℃、75℃和100℃,然后对所制备的CZT预制层在400℃下硫化60 min,从而制备出CZTS薄膜.利用XRD、Raman、SEM、反射谱和透射谱对所制备的CZTS薄膜进行了表征,实验结果表明,预制层衬底加热温度对CZTS薄膜结构与光学特性有很大影响,在衬底加热50℃时制备预制层硫化后所得CZTS薄膜具有高的结晶度、致密均匀的薄膜表面和最佳1.5 eV光学带隙.此外,与衬底未加热制备预制层在500℃和90 min最佳硫化条件下所制备的高纯CZTS薄膜相比,在50℃预制层衬底加热条件下所制备CZTS薄膜具有更好地结晶质量、更低的硫化温度和更短的硫化时间,这种现象表明衬底加热制备金属预制层利于更高品质CZTS薄膜的制备,可有效的降低硫化温度和缩短硫化时间,当前的研究结果为在低温下实现高质量CZTS薄膜的制备提供了一种有效的途径.     

硫化温度-时间曲线对铜锌锡硫薄膜性能的影响

采用溅射法制备含硫预制层,硫化时采用不同的升温速率对经过合金处理的含硫预制层进行退火硫化.通过表征薄膜的表面粗糙度,致密性,均匀性来研究硫化时升温速率对薄膜表面形貌的影响.结果表明当升温速率变慢时,薄膜中的CZTS颗粒逐渐增大,虽然较大的颗粒能减少单位面积内的晶界,但是薄膜的表面粗糙度却随颗粒尺寸的增大而逐渐下降.通过对薄膜的元素组分、晶体结构、相成分进行了检测,确定出薄膜的成分为贫铜富锌的单相锌黄锡矿.再通过测量相应的没有Mo层的CZTS薄膜样品的光电特性来间接的反映拥有Mo层的CZTS薄膜的光电特性.最终制备出结构为SLG/Mo/CZTS/CdS/i-ZnO/AZO/Ni/Al-grid的CZTS薄膜太阳电池,其中转换效率最高的电池为3.60;.     

简易溶液法快速制备Cu2ZnSnS4纳米晶工艺研究

采用一种简易溶液法成功快速制备出低成本薄膜太阳能电池用Cu2ZnSnS4(CZTS)纳米晶.探讨合成温度和时间对CZTS纳米晶的结构、形貌、元素比例及光学特性的影响,实现可控的CZTS纳米晶合成.以上特性分别采用X射线衍射仪(XRD)、扫描电子显微镜(SEM)、能量色散谱仪(EDX)、紫外-可见光谱仪(UV-vis)进行表征.结果表明:温度为250℃,时间为1h时可获得锌黄锡矿结构,团聚颗粒约为200～500 nm,化学计量比约为Cu∶ Zn∶ Sn∶S=2.17∶ 1∶1.23∶4.69,禁带宽度为1.5 eV的纳米晶,适合印刷法制备CZTS薄膜太阳能电池吸收层.     

多周期溅射单质靶制备铜锌锡硫薄膜电池

采用多周期磁控溅射单质靶Cu-Sn-Zn制备CZTS薄膜太阳电池.多周期包含两周期和四周期,同时与单周期制备的CZTS薄膜电池作对比.通过X射线衍射仪(XRD)、扫描电子显微镜(SEM)、能谱仪(EDS)和拉曼光谱仪(Raman)对不同周期得到的CZTS薄膜的晶体性质、表面样貌、化学成分等性质进行分析研究.分析结果显示,多周期制备的CZTS薄膜晶体质量要比单周期的好,表面均匀致密.重要的是四周期溅射制备的CZTS薄膜是研究的最佳实验组.最终把不同周期得到的CZTS薄膜制备成完整的器件结构,得到的太阳电池效率分别是:单周期2.64;,两周期3.01;,四周期3.36;.     

不同镉源制备铜锌锡硫电池缓冲层的研究

目前制备CZTS薄膜太阳电池的缓冲层绝大多数采用硫酸镉作为镉源.本文将主要介绍用醋酸镉((Ch3COO)2Cd)、氯化镉(CdCl2)和硝酸镉(Cd(NO3)2)和硫酸镉(CdSO4)四种不同的镉源制备硫化镉薄膜.通过X射线衍射仪(XRD)、扫描电子显微镜(SEM)和紫外可见分光光度计对硫化镉薄膜的结构、表面形貌和光学性能进行分析研究.分析结果表明以硝酸镉为镉源制备的硫化镉薄膜最适合作为缓冲层使用.将不同镉源制备的硫化镉薄膜作为CZTS薄膜电池的缓冲层,制备出的电池效率分别为:1.83;((Ch3COO)2Cd)、2.89;(CdCl2)、3.4;(Cd(NO3)2)、3.19;(CdSO4).     

铜锌锡硫正极全固态薄膜锂离子电池的研究

采用铜锌锡硫(CZTS)四元硫化物材料作为全固态薄膜锂离子电池(TFLB)的正极功能层.通过磁控溅射及硫化工艺制备了CZTS多晶薄膜,并经过组分调控及硫化工艺控制等方案,提高了CZTS正极薄膜的电子导电性.此外,通过引入疏松的微观结构,抑制了由充放电过程中的体积膨胀所导致的容量衰减,提升了TFLB循环性能.所制得的TFLB结构为玻璃/Mo/CZTS/LiPON/Li,首圈放电容量高达200μAh·cm-2 ·μm-1(482 mAh ·g-1),放电平台约为1.1V.     

溅射硒化物靶与金属单质靶制备Cu2 ZnSnSe4薄膜及电池的比较研究

采用磁控溅射SnSe-ZnSe-Cu硒化物靶和Sn-Zn-Cu金属单质靶的方法制备两种Cu2 ZnSnSe4(CZTSe)预制层,并将两种预制层采用相同的硒化工艺制备出CZTSe薄膜吸收层.分别采用XRD、Raman、SEM、EDS等分析了薄膜的晶体结构、相的纯度、表面及截面形貌和元素组分,结果发现采用硒化物靶制备的CZTSe吸收层薄膜更为平整致密且无明显孔洞.同时采用Hall测试和J-V测试对太阳电池薄膜的电学性质进行了表征,结果表明硒化物靶制备的CZTSe太阳电池的电流密度以及光电转化效率要高于金属单质靶,金属单质靶制备的CZTSe薄膜电池的开路电压为356 mV,短路电流密度为20.61 mA/cm2,光电转换效率为2.18;,而硒化物靶制备的CZTSe薄膜电池的开路电压为354 mV,短路电流密度为28.41 mA/cm2,光电转换效率为3.33;.     

热处理对电沉积制备ZnS薄膜物相组成及光学性能的影响

采用电沉积方法在氧化铟锡(ITO)导电玻璃上沉积了ZnS薄膜,利用X射线衍射仪(XRD)、紫外-可见光(UV-VIS)分光光度计对薄膜的微结构和光学性能进行了表征,研究了热处理条件对薄膜的相组成和光学性能的影响.结果表明:电沉积制备的ZnS薄膜呈非晶态,并且含有单质Zn.硫化热处理可以改善薄膜的结晶状况,减少杂质Zn的含量.硫气氛中450 ℃热处理4 h之后,薄膜中单质Zn全部反应生产ZnS,得到了纯的ZnS薄膜.没有经过热处理的薄膜,其可见光透射率在70;左右,热处理后薄膜样品的透射率降低,在硫气氛中热处理4 h的样品,其可见光透射率最低,为50;左右,热处理条件对薄膜样品的禁带宽度值基本没有影响.     

CsI-LiCl共晶材料的坩埚下降法生长与闪烁性能研究

本文采用坩埚下降法,在真空密封的石英坩埚中成功生长出CsI-LiCl与CsI-LiCl:Na共晶闪烁体。通过扫描电子显微镜(SEM)观察晶体微结构表明该共晶中LiCl相与CsI相存在周期性的层状排列,CsI相的厚度在5 μm左右。共晶样品的X射线激发发射谱显示在CsI-LiCl和CsI-LiCl:Na共晶样品存在缺陷发光,在CsI-LiCl样品中还观察到了纯CsI的自陷激子(STE)发光。CsI-LiCl样品在α粒子激发下的多道能谱中观察到明显的全能峰,这一结果证明CsI-LiCl共晶可用于热中子探测的潜力。     

First-principles coexistence simulations of supercooled liquid silicon

We perform first-principles coexistence simulations of the low-density and the high-density phases of supercooled liquid silicon and find a negative slope for the coexisting line in the temperature-pressure plane. Electron density maps and electron-localization function plots of the two phases of silicon show marked differences. The calculated differences suggest more localized electrons in the low-density liquid compared to the high-density liquid, coming from an increased population of covalent bonds, which further explain the calculated negative slope in the two phase coexistence regime. This is consistent with the presence of a pseudo-gap in low-density liquid silicon, absent in the high-density liquid which shows a metallic behavior.     

静电纺丝法制备CeO2微纳米纤维及其除氟性能

以聚丙烯腈(PAN)为载体,六水合硝酸铈[Ce(NO₃)₃·6H₂O]为原料,采用静电纺丝法制备了Ce(NO₃)₃/PAN纤维,在空气中热处理得到CeO₂微纳米纤维,通过XRD、BET和SEM对CeO₂微纳米纤维进行表征。采用静态吸附实验探讨了CeO₂微纳米纤维去除水溶液中氟离子的性能,考察了溶液pH值、初始氟离子浓度及共存阴离子等对吸附性能的影响。结果表明,pH=3时,CeO₂微纳米纤维对F^-的吸附性能最佳,CeO₂吸附量随着F^-浓度的增大呈上升趋势。CeO₂微纳米纤维对F^-的吸附等温线遵循Langmuir模型,二级动力学模型能很好地描述CeO₂微纳米纤维对F^-的吸附过程。CeO₂微纳米纤维的除氟性能优良,可为其实际应用提供理论参考。     

Triethyl ammonium salt of O,O′-bis(p-tolyl)dithiophosphate, [Et3NH]+[(4-MeC6H4O)2PS2]−

Triethyl ammonium Salt of O,O′-bis(p-tolyl)dithiophosphate and O,O′-bis(m-tolyl)dithiophosphate have been obtained by reaction of p- and m-cresol, respectively with P₂S₅ in toluene and have been characterized by elemental analysis, IR, ¹H and ³¹P NMR spectroscopy. The molecular structure of O,O′-bis(p-tolyl)dithiophosphate has been determined. Crystal data: [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻: Monoclinic, P2₁/c, a=15.2441(9) ?, b=10.415(2) ?, c=3.9726(9) ?, β=91.709(7)°, V=2217.5(1) ?⁻³, Z=4.Supplementary materials Additional material available from the Cambridge Crystallographic Data Centre (CCDC no. 600927 for [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻ comprises the final atomic coordinates for all atoms, thermal parameters, and a complete listing of bond distances and angles. Copies of this information may be obtained free of charge on application to The Director, 12 Union Road, Cambridge CB2 2EZ, UK (fax: +44-1223-336033; email: deposit@ccdc.cam.ac.uk or www:http://www.ccdc.cam.ac.uk).     

Crystal structures of thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane

Structures of both thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane, ?C₆H₄?CH₂SCH₂?C₆H₁₀?CH₂SCH₂?, have been determined, wherecis andtrans refer to the attachments to the cyclohexane ring. Thecis form crystallizes in the monoclinic space groupP2₁/c witha=8.4299(11)Å,b=21.772(2)Å,c=8.9724(13)Å, β=116.574(11)^o, andZ=4. Thetrans isomer packs into the monoclinic space groupP2₁ witha=8.159(16)Å,b=10.185(5)Å,c=9.558(2)Å, β=112.435(18)^o, andZ=2. The cyclohexane ring of thecis isomer is in the chair conformation, while the cyclohexane of thetrans isomer is found in a twisted boat conformation.     

CTAB与SDBS对碳酸锶粒子生长形态调控及机理研究

以表面活性剂CTAB和SDBS为化学添加剂,采用化学共沉淀法对碳酸锶晶体的生长形态进行调控,成功地制备出了实心的树枝状和花瓣为空心的花状碳酸锶粉体,并用X射线衍射(XRD)、扫描电子显微镜(SEM)和傅里叶变换红外光谱(FT-IR)等分析手段对样品进行了表征;最后重点对化学添加剂可能产生的影响机理进行了初步的探讨.结果表明,CTAB和SDBS在晶体生长的过程中能起到显著的影响作用,两者对粒子分散性能的作用效果相反,而且后者对晶体(013)和(213)晶面表面能降低的贡献明显大于前者.     

Crystal structure of Zn4Na(OH)6SO4Cl·6H2O

The structure of Zn₄Na(OH)₆SO₄Cl·6H₂O, a secondary mineral from Hettstedt, Germany, was determined by single-crystal X-ray diffraction. The crystals are hexagonal,a=8.413(8),c=13.095(24) Å, space group $P\bar 3$ , Z=2. The structure was refined to R=0.0554 and R_w=0.0903 for 970 reflections with I≥3σ(I). The structure can be described as zinc hydroxide layers perpendicular toc, from which sulfates and chlorides extend. The layers are held together by a system of hydrogen bonds involving hexaaquo Na⁺ ions which occupy the interlayer space.     

Synthesis and Crystal Structure of 5-[2-(6-bromonaphthalenyloxymethyl)]-3-(4-morpholinomethyl)-1,3,4-oxadiazole-2(3<Emphasis Type="Italic">H</Emphasis>)-thione

Abstract  The title compound, C₁₈H₁₈BrN₃O₃S, a derivative of 1,3,4-oxadiazole, crystallizes in the triclinic space group P-1 with unit cell parameters a = 6.8731(3), b = 8.9994(4), c = 15.7099(6) ?, α = 92.779(3)°, β = 130.575(3)°, γ = 107.868(4)°, Z = 2. The dihedral angle between the mean planes of the planar naphthyl and morpholine (chair) rings with the planar oxadiazol ring is 50.1(8) and 76.8(6)°, respectively. The planar naphthyl ring is twisted 52.2(5)° with the mean plane of the morpholine ring. A group of four intermolecular close contacts are observed between a bromine atom and hydrogen atoms from the closely packed naphthyl, morpholine and oxy–methyl groups in the unit cell. These molecular interactions in concert with an additional series of π–π stacking interactions that occur between the center of gravity of the two 6-membered rings of the naphthalene group influence the twist angles of each of these three groups. A MOPAC AM1 calculation of the conformation energy of the crystal structure [226.0128(9) kcal] compared to that of the minimum energy structure after geometry optimization [29.9744(1) kcal] reveals a significantly reduced value. The twist angles of the three groups above also change after the AM1 calculation giving support to the influence of both intermolecular C–H···Br short-range interactions and Cg π–π stacking interactions on these angles which therefore play a role in stabilizing crystal packing. Graphical Abstract  Crystal structure of 5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione, C₁₈H₁₈BrN₃O₃S, is reported and its geometric and packing parameters described and compared to a MOPAC computational calculation. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Crystal structure of irisolidone from the flowers of Pueraia lobata

Irisolidone (5,7-dihydroxy-6,4′-dimethoxyisoflavone) was isolated from the flowers of Pueraia lobata and its crystal structure was examined by X-ray single crystal diffraction. The crystal structure of irisolidone is monoclinic, space group P2₁/c with a = 15.491(9) ?, b = 7.895(4) ?, c = 13.321(7) ?, β = 110.546(9)° and Z = 4. Hydrogen bonding and aromatic π–π stacking assemble the title compound into a three-dimensional networking structure.