偏压对Ge/Si单量子点电流分布的影响

采用扫描探针显微镜(SPM),对离子束溅射自组装生长的Ge/Si量子点的电学性能进行分析.实验结果表明,施加正向偏压于圆顶形量子点上时,由于表面氧化物的生成,扫描区域的电流信号是不可恢复的.施加负向偏压时,单量子点区域的电流分布特征保持环状,且电流剖面图呈双峰结构,随着负向偏压的增大,各个电流峰顶部形状由尖锐变为截平,呈现出饱和的趋势.通过对电流值大小分布的统计,证实了Ge/Si量子点的电流传导主导机制为热电子发射.     

钛酸锶(SrTiO3)低温时的自发极化

对自由能取极小可得到一系列方程,原则上可以确定任意系统相变时的行为.在105K SrTiO3发生立方一四方的反铁畸变,考虑量子效应,从吉布斯自由能形式出发,计算了介电常数,并讨论低温时的居里一外斯行为.     

Fe_3O_4单晶纳米棒和量子点的水热合成与表征

本文以FeSO_4·7H_2O为铁源,采用LSS反应机制控制合成了Fe_3O_4单晶纳米棒和量子点,并根据不同反应条件下反应生成的产物形貌推断了反应机理.采用X-射线衍射仪(XRD)、透射电子显微镜(TEM)对产物进行表征.室温下分别测试了Fe_3O_4单晶纳米棒和量子点的磁滞回线,检测得到纳米棒和量子点饱和磁化强度磁化率(Ms)分别为44.26 emu/g和60.09 emu/g,矫顽力(H_c)分别为132.3 Oe和143.2 Oe.     

Mg掺杂对ZnO薄膜结构与磁性的影响

采用脉冲激光沉积(PLD)方法在单晶Si(100)衬底上制备Zn1-xMgxO薄膜,研究了退火温度和氧压对Zn1-xMgxO薄膜的结构和磁性的影响.结果表明,Mg掺入量影响ZnO结构相变,当x≥0.25时,Zn1-xMgxO薄膜由六角纤锌矿结构变为立方结构,同时磁性增强.随着氧压的增大和后续退火温度的升高,都会使饱和磁化强度(Ms)呈先增大后减小的趋势.分析表明磁性的变化都与样品中的表面缺陷浓度有关.     

二维石墨烯片增强芒硝基复合相变材料导热性研究

探究了二维石墨烯片(GNPs)对复合相变材料导热性的影响,以芒硝基复合相变材料(SCNa)为原料,制备出石墨烯片增强芒硝基复合相变材料(SCNaG).探讨了GNPs添加量对SCNa相变材料导热率的影响,并对其过冷机理进行了讨论.结果表明:复合相变材料导热系数随着GNPs添加量呈线性增加,当GNPs=0wt;时,相变材料导热系数为0.854 W/(m·K);当GNPs=3wt;时,相变材料导热系数为1.405 W/(m·K);随着GNPs添加量的增大相变材料过冷度先减小后增大,当GNPs=0.5wt;时,过冷度低于纯SCNa相变材料,为2.5℃C,当GNPs=3wt;时,过冷度增大至10.9℃.GNPs的添加量对相变材料相变温度影响不大,相变潜热略有减小.     

不同载体的Na2SO4·10H2O基定形相变材料的制备和热性能研究

基于节能减排的重要性,针对Na2 SO4·10H2 O基相变材料相变过程中液相泄露和长期使用的热稳定性问题,采用直接浸渍的方法将其封装入不同载体(SiO2气凝胶、X型分子筛、膨胀珍珠岩、活性炭和硅藻土)中,成功制备了不同载体的定形相变材料.通过SEM、XRD、DSC等表征方法,测定了饱和吸附时各自的相变材料占比分别为80.0;、82.2;、76.9;、89.2;及60.6;;并且从热性能、机械性能、成本等方面综合对比了不同载体的性能,发现膨胀珍珠岩(EP)是性价比最优的载体材料.进一步对Na2 SO4·10H2 O/EP复合相变材料进行了熔冻循环实验测试,经过100次循环实验,热值损耗保持在15;以内,过冷度稳定在10℃以内,热稳定性良好.     

柔性衬底非晶硅薄膜太阳电池量子效率的研究

量子效率是太阳电池对光的吸收能力的评定标准之一.本文通过对柔性衬底倒结构n-I-p非晶硅薄膜太阳电池量子效率的测量,同时结合本征材料吸收特性,讨论了衬底温度和反应压强对太阳电池量子效率的影响.结果表明:本征非晶硅薄膜的吸收特性是影响太阳电池量子效率的主要因素,同时光生载流子在本征层和界面处的复合也会对太阳电池的量子效率有所影响.经过反应条件优化得到了转换效率为5.67;的聚酰亚胺衬底太阳电池.     

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.     

晶格动力学性质对钛酸锶介电行为的影响

在105 K钛酸锶(SrTiO3)发生立方-四方的反铁畸变,对量子效应的吉布斯自由能取极小值,可得到一系列方程,原则上可以确定任意系统相变时的介电性质.研究了晶格动力学性质,特别是软模的行为,对理解介电性非常重要.介电常数完全由低频的光学声子模决定,从晶格动力学的性质出发,分析了低温时的居里-外斯定律行为.     

物理法制备芒硝基复合相变材料及其性能研究

以芒硝(Na2SO4· 10H2O)为主相变材料,采用物理共混法,筛选出合适添加辅助材料组成多元混盐体系,制备出相变温度在25℃左右的Na2SO4· 10H2O基复合相变材料,研究了原料配比对相变材料相变温度和相变潜热的影响.通过热重分析、T-history曲线、差示扫描量热法等表征了制备的芒硝基相变储能材料性质.结果表明:二元相变材料相变温度随着Na2CO3·10H2O增加而先降低后增大;相变材料相变潜热密度基本不变.三元相变材料相变温度随着NaCl、KCl、NH4Cl量增加相变温度降低;相变材料相变潜热密度相比于二元体系有所减小,且在一定范围内随着成核剂硼砂含量的增加该体系相变潜热密度基本保持不变,过冷度有明显下降.当Na2SO4· 10H2O量为86.4;、Na2CO3 · 10H2O量为9.6;、NaCl量为4;,对该配方改性添加3;的硼砂和0.1;的羧甲基纤维素钠时,此相变材料的相变温度为24.6℃,过冷度为0.3℃,相变潜热密度为179.6 J/g.     

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.