影响半导体量子点生长因素的分析

生长高面密度和尺寸均匀的量子点是半导体量子点实用化的关键.本文在已有研究工作的基础上,从材料本身的特性和生长量子点时的外界条件两方面总结了影响量子点生长的各种因素,从原理上分析了控制量子点有序生长的可能性的几种方法.     

1.3微米发光自组织InAs/GaAs量子点的电致发光研究

用优化的MBE参数生长了1.3μm发光的InAs/GaAs量子点材料,并制成发光二极管,对不同温度和有源区长度下样品的电致发光谱进行了细致的研究.观察到两个明显的电致发光峰,分别对应于量子点基态和激发态的辐射复合发光.实验表明,由于能态填充效应的影响,适当增大量子点发光器件有源区长度,更有利于获得基态的光发射.这个结果提供了一种控制和调节InAs/GaAs量子点发光二极管和激光器的工作波长的方法.     

δ掺杂Si对InAs/GaAs量子点太阳电池的影响

在InAs/GaAs量子点的自组装生长阶段,采用δ掺杂技术对量子点进行不同浓度的Si掺杂,可以使得量子点的室温光致发光峰强度大幅提高,其原因是掺杂的Si原子释放电子钝化了周围的非辐射复合中心.这种掺杂也应用到了量子点太阳电池中,结果表明电池开路电压从0.72 V提高到了0.86 V,填充因子从60.4;提高到73.2;,短路电流从26.9 mA/cm2增加到27.4 mA/cm2.优化的Si掺杂可将量子点太阳的电池效率从11.7;提升到17.26;.     

量子点材料的制备及应用研究进展

量子点具有发光效率高,光、热及化学稳定性好,简单的加工和成膜的特点,因此在各种光电器件方面具有广泛的应用前景,使其成为当今研究的热点.本论文从量子点的制备方法入手,全面综述了不同体系量子点的制备工艺及研究进展,重点分析了核壳量子点材料体系与制备手段对量子点生长机制、发光原理与性能提高的影响,总结了光电器件用量子点材料最佳材料体系和制备方法.通过国内外量子点材料和器件应用的研究进展对比分析,综合分析了高效量子点绿色制备与绿色应用的关键技术和面临的挑战,结合量子点在光电、催化、安全、生物等领域的应用,对其技术发展前景进行了展望.     

有序纳米半导体量子点的自组织生长

纳米半导体量子点以其所具有的新颖光电性质与输运特性,正在各类量子功能器件中获得成功应用.作为纳米量子点的一种主要制备工艺,自组织生长技术正在受到人们的普遍重视.而如何实现具有尺寸与密度可控纳米量子点的自组织生长,更为材料物理学家们所广泛关注.因为这是由自组织方法形成的量子点最终能否器件实用化的关键.本文简要介绍了有序纳米量子点的自组织生长及其新近研究进展.     

水热法合成Cu-In-Zn-S量子点及其荧光性能研究

通过水热法制备了Cu-In-Zn-S (CIZS)四元量子点,采用X射线衍射仪(XRD)、能谱仪(EDS)、透射电子显微镜(TEM)、荧光分光光度计(PL)研究了不同反应温度和Cu/In摩尔比对CIZS量子点的物相组成、显微形貌以及荧光性能的影响,同时利用傅里叶变换红外光谱仪(FT-IR)对CIZS量子点的表面性质进行表征.结果 表明,量子点颗粒在水溶液中呈类球型并且具有良好的分散性,粒径大小为3～4 nm.合成的CIZS量子点具有优异的荧光性能,随着反应温度的升高,量子点的荧光强度逐渐增强;当反应温度为110℃时,量子点的荧光强度最高;然而,过高的反应温度造成了In2S3杂质相的形成,荧光强度随之降低.此外,随着Cu/In摩尔比的减小,CIZS量子点的发光峰位由675 nm蓝移至644 nm,同时量子点的荧光强度逐渐提高;当n(Cu)/n(In)=1∶7时,荧光强度达到最高值.同时,量子产率(QYs)达到最大值6.2;.基于CIZS量子点的LED成功实现发光,其中显色指数达81.2,发光效率为36.8 lm/W,表明了CIZS量子点在照明领域良好的应用前景.     

CdTe量子点生长速率的参数研究

以NaTeO3为碲源,还原型谷胱甘肽(GSH)为稳定剂,一步合成CdTe量子点.研究了参与反应回流的镉与碲摩尔比和Cd2+浓度对CdTe量子点生长速率的影响,并用荧光光谱、X射线衍射光谱及透射电子显微镜对其性能进行表征.结果表明:GSH稳定的CdTe量子点具有闪锌矿结构、球形形貌;在pH =8.5,n(Cd2+)∶ n(GSH)=1∶1.2,C(Cd2)=0.67 mmol/L,n(Cd)∶ n(Te)=6∶1时,CdTe量子点荧光量子效率最高可达51.53;,并且量子点生长的速率在初期的1h内达到最高点,并随着时间的延长呈下降趋势.     

水溶性ZnS∶Ni量子点的合成及荧光性质

以L-半胱氨酸为修饰剂,采用化学共沉淀法在水溶液中合成了ZnS∶Ni量子点.通过X-射线粉末衍射(XRD)、透射电镜(TEM)、红外光谱(IR)和荧光光谱(PL)对量子点的结构、组成、形貌及光谱性质进行表征.结果表明:ZnS∶ Ni量子点为立方闪锌矿结构,颗粒呈球形,平均尺寸约为2.9 nm,分散性良好;随着Ni2掺杂浓度的增加,ZnS∶ Ni量子点的荧光发射强度先增强后减弱,当Ni2+掺杂浓度为0.7;时,发射强度达到最大.经室内自然光照后,ZnS∶ Ni量子点的荧光量子产率可达15.4;.修饰在量子点表面的L-半胱氨酸使该量子点具有良好的水溶性、生物相容性和生物大分子可偶联性.     

L-半胱氨酸修饰的ZnS∶Co/ZnS量子点的合成及表征

选用L-半胱氨酸作为修饰剂,采用共沉淀法在水溶液中合成了ZnS∶ Co/ZnS量子点.通过X-射线粉末衍射(XRD)、透射电镜(TEM)、红外光谱(IR)、紫外可见光谱(UV-Vis)和荧光光谱(PL)对量子点的结构、形貌、组成及光谱性质进行表征.结果表明:ZnS∶ Co/ZnS量子点为立方闪锌矿结构,颗粒呈球形,分散性好,颗粒尺寸约为3.3nm1;随着ZnS壳层增厚,ZnS∶ Co/ZnS量子点的荧光发射峰强度先增大后减小,核壳比为1∶0.15时发光强度达到最大.Co2+的掺杂和ZnS壳层的形成使量子点的荧光量子产率从2.4;增加到9.8;.L-半胱氨酸分子通过其巯基与量子点表面的金属离子配位,从而修饰在量子点的表面,使该量子点具有水溶性、生物相容性和生物可偶联性.     

半导体单量子点的分子束外延生长及调控

Ⅲ-Ⅴ化合物半导体外延单量子点具有类原子的分立能级结构，能够按需产生单光子和纠缠多光子态，而且可以直接与成熟的集成光子技术结合，因此被认为是制备高品质固态量子光源、构建可扩展性量子网络最有潜力的固态量子体系之一。本综述的重点是介绍高品质单量子点的分子束外延生长及精确调控的方法。首先介绍了晶圆级均匀单量子点的分子束外延生长，并探讨了调控浸润层态和量子点对称性的生长方法；接下来概述了利用应变层调控量子点发射波长的方法，总结了几种常见的电调控单个量子点器件的设计原理；最后讨论了最近为实现优异量子点光源而开发的液滴外延生长技术。     

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).     

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.     

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.     

Synthesis of spinacine and spinacine derivatives: crystal and molecular structures of Nπ-hydroxymethyl spinacine and Nα-methyl spinaceamine

The natural amino acid L-Spinacine (4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid) has been synthesized following a new pathway which gives a chemically and optically pure product with an excellent yield. The crystal structures of a synthetic intermediate, N^π-hydroxymethyl-spinacine, and a spinacine derivative, N^α-methyl-spinaceamine, have been investigated through X-ray diffraction: Spi(πMeOH)·H₂O, monoclinicP2 _i,a=8.571(1),b=6.682(1),c=8.588(1) Å, and β=94.67(1)^o. Spm(αMe)·2HCl·H₂O, triclinicP l,a=7.492(4),b=10.799(3),c=7.040(2) Å, α=91.88(2), β=98.36(3) and γ=73.34(3)^o. Spi(πMeOH) crystallizes with a water molecule and displays a zwitterionic character. The carboxylate group is in equatorial position and forms a short electrostatic interaction of 2.618(2) Å between one of its oxygens and the protonated nitrogen of the tetrahydropyridine ring. The crystal packing is assured by strong O?H???O, O?H???N, N?H???N intermolecular hydrogen bonds and C?H???O close contacts. The biprotonated compounds Spm(αMe) crystallizes with two Cl^? anions and a water molecule. The positive charge on the imidazole ring is delocalized on the conjugated moiety N=C?N. The crystal is built up by clusters formed by two biprotonated Spm(αMe) molecules, four Cl^? anions and two water molecules linked together by hydrogen bonds.