不同能量He离子注入单晶Si引起的损伤研究

40、160和1550 keV能量的He离子在室温下注入单晶Si样品到相同的剂量5×1016 ions/cm2,采用透射电子显微镜(TEM)研究了800℃退火1h在Si中引起的损伤形貌.结果表明,三种能量的He离子注入Si并经高温退火均能产生空腔,但空腔的形貌、尺寸以及分布深度都依赖于离子的能量.结合TRIM程序计算结果对空腔和其它缺陷产生对He离子能量的依赖性进行了讨论.     

热退火诱导C+注入Si晶体的蓝光发射

在室温和注入能量为60 keV的条件下,在硅晶片中注入C+,使其剂量达到5.0×1016 cm2,随后即对样品进行高温退火处理.采用X射线衍射(XRD),拉曼和光致发光(PL)光谱技术对样品进行了表征.实验结果显示:C+注入后经高温退火的样品的XRD图谱中,在40°附近处出现了衍射峰,表明经退火后样品中形成了纳米尺寸的SiC团簇,并观察到了强烈的蓝光发射.PL光谱中的蓝光峰起源于量子限制效应.     

硅离子注入SOI晶片中发光研究

本文报道了通过500 keV从1013cm-2到3×1014cm-2的不同剂量的28Si离子自注入技术,结合不同温区退火,在SOI晶片中引入一系列发光中心(X,W,R,D4,D3,D2和D1中心)研究。采用光致发光测量表征,分别研究了退火温度、注入剂量以及测试温度对样品光学性质的影响。研究发现,W线的最佳退火温度大约为275℃,注入剂量为1013cm-2量级;R线发光强度最大时需要的注入剂量为3×1013cm-2,退火温度为700℃;与体Si晶体不同,离子注入SOI晶片内仅在275℃的低温退火3 min,在1013cm-2小剂量样品的PL谱中也观察到D1和D2带。本研究结果为硅基红外光电器件的探索奠定了基础。     

退火温度对InP晶体中Er3+离子的发光特性影响的研究

利用离子注入法,以300keV的能量,7×1014cm-2的剂量,在室温下,对(100)InP晶体进行稀土(RE)元素Er的注入;分别在600℃、650℃、700℃、750℃、800℃温度下,采用安瓿闭管恒温退火20h.二次离子质谱仪(SIMS)观测到稀土元素Er原子在InP中的分布,直到800℃时几乎没有变化;在77K温度下,观测到InP中Er3+离子的1.54μm特征光致发光(PL)峰.提出退火温度对InP中Er3+离子的光致发光强度影响的机理.     

镶嵌在SiO2基体中SiC纳米晶的紫外光致发光

将剂量为2×1016 cm-2的C+以60 keV的能量注入到SiO2薄膜中并进行了退火处理.从样品的室温光致发光(PL)光谱中观察到六个PL峰,其峰位分别处于2.601 eV、2.857 eV、3.085 eV、3.249 eV、3.513 eV和3.751 eV.其中3.249 eV处的PL峰与4H-SiC有关.而对于尚未见报道的3.751 eV处PL峰,进行了红外吸收和荧光激发(PLE)测试:在PLE谱4.429 eV处显示出一个对应于3.751 eV处的激发峰.在红外吸收谱上证实0.205 eV(1650cm-1)处的吸收峰与3.751 eV处发光峰的起源相关,从而推断在3.751 eV处的PL峰应起源于氧空位缺陷.     

Ni离子注入SiO_2的表面形貌和光学吸收性能研究

室温下,将能量为60 keV,剂量范围在1×1016~1×1017/cm2的Ni离子注入到SiO2中。随后将样品在Ar气中退火(400~1000℃)。采用原子力显微镜(AFM),掠入射X射线衍射(GXRD),紫外-可见分光光度计(UV-Vis)对退火前后样品的表面形貌,Ni纳米颗粒的形成和热演变过程以及样品光吸收性能进行分析表征。结果表明:剂量为1×1016/cm2的样品退火前后均未能形成纳米颗粒;剂量为5×1016/cm2和1×1017/cm2的样品中形成了纳米颗粒,退火后颗粒长大,样品表面凸起(Ni纳米颗粒)高度增加,数量减少。SiO2中Ni纳米颗粒的光吸收带在310~520 nm,800℃后光吸收带变得明显且伴随峰位蓝移。经1000℃退火后,Ni纳米颗粒被热分解的O氧化为NiO纳米颗粒,NiO纳米颗粒的光吸收带位于300 nm附近。     

Si中离子注入S杂质引起的深能级研究

本文在n型硅中通过离子注入方法用500 keV的能量注入剂量为1×1014cm-2的过量S以引入杂质,并通过深能级瞬态谱方法(DLTS)对离子注入引入的深能级进行研究,得到多个S的深能级峰,计算了各深能级的位置和其俘获截面等参数。同时也发现,采用离子注入工艺在Si中引入了大量缺陷深能级。     

衬底温度对含硅量子点的SiCx薄膜结构及其光学特性的影响

采用磁控共溅射沉积法,以Si靶和SiC靶为靶材,单晶Si(100)和石英为衬底,在不同衬底温度下沉积了富硅SiCx薄膜.在氮气氛下于1100 ℃退火,得到包含硅量子点的SiCx薄膜.采用傅立叶变换红外吸收光谱、拉曼光谱、掠入射X射线衍射和吸收谱对退火后的SiCx薄膜进行了表征.结果表明:当衬底温度从室温(25℃)升至300℃时,薄膜的晶化率增至71.3;,硅量子点尺寸增至8.9 nm,而光学带隙则减至2.42 eV;随着衬底温度进一步升高,薄膜的晶化率降至63.1;,硅量子点尺寸减小至7.3 nm,而光学带隙却增加至2.57 eV;当衬底温度从室温(25℃)升至400℃时,薄膜的吸收系数呈先增大后减小趋势.在本实验条件下,最佳衬底温度为300℃.     

负衬底偏压热灯丝CVD金刚石膜成核的研究

本文利用扫描电子显微镜和原子力显微镜研究了Si(100)衬底上热灯丝金刚石膜成核过程.在-240V和250mA下,在镜面抛光的Si(100)衬底上金刚石最大成核密度超过了1010cm-2.研究表明,负衬底偏压增强成核主要是发射电子和离子轰击的结果.     

TGA-CdTe量子点在荧光探针方面应用

以巯基乙酸(TGA)为稳定剂,在加热回流氮气保护条件下制备CdTe量子点,用荧光分光光度计、透射电子显微镜和X射线粉末衍射仪对CdTe量子点进行表征.以该量子点为荧光探针,完善荧光淬灭法测定Cu2+、Hg2和Ag+等重金属离子的方法.考察缓冲溶液的pH值、反应时间、量子点浓度、量子点的稳定性和干扰离子等多种因素对重金属离子测定的影响.在pH值为6.2的三羟甲基氨基甲烷(tris)-盐酸缓冲溶液中,当量子点的浓度为4.2×10-2 μg/L和反应时间为30 min时,测得Cu2、Hg2+和Ag+的线性区间分别为2.3 ～250 μg、3.2～300 μg和4.3～ 150μg,检测下限分别为0.28 μg/L、0.53 μg/L和0.35 μg/L.并发现只有当所测量的重金属离子能与所采用的量子点能生成更难溶于水的沉淀才能引起量子点的荧光淬火,从而可以对此类重金属离子进行定量检测.     

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.     

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 structures of the cis and trans isomers of a tetrathia[3.3.3.3]cyclophane

Both the cis and trans isomers of 3,11,18,26-tetrathiatricyclo[26.2.2.1^5,9.2^13,16.1^20,24] hexatriaconta-5,7,9,20,22,24-hexene have been prepared and structurally characterized. Each of these centrosymmetric tetrathia dimers includes two cyclohexane rings in chair conformations with either 1,4-cis or 1,4-trans bonding and two meta-substituted benzene rings. The cis isomer packs into the monoclinic space group P2₁/a with a = 10.485(3)Å, b = 10.3956(18)Å, c = 14.1343(10)Å, = 105.200(13)°, Z = 2 and refined to an R factor of 0.046. The trans isomer crystallizes in the monoclinic space group P2₁/c with a = 10.7217(12)Å, b = 5.6797(7)Å, c = 25.415(5)Å, = 96.001(12)°, Z = 2 and refined to an R factor of 0.043. In the cis structure each benzene ring faces a cyclohexane ring while in the trans structure the cyclohexane rings face one another.     

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.     

电沉积法制备ZnO纳米棒阵列及其发光特性

本文以掺F的SnO2导电玻璃为基板,以硝酸锌水溶液为电解液,采用三电极恒电位体系电沉积制备ZnO纳米棒阵列,系统考察了硝酸锌浓度和沉积电位等工艺参数对ZnO纳米棒阵列的微观形貌及其发光性能的影响规律.结果表明,硝酸锌浓度和沉积电位对纳米棒阵列的形貌有显著影响,控制适宜的工艺条件可以制备出直径分布均匀、结晶性好且纯度高的六方纤锌矿ZnO纳米棒阵列.荧光光谱分析表明,电沉积制备出的ZnO纳米棒阵列在385 nm附近有一个强荧光发射峰,且发光性能稳定、对纳米棒阵列微观形貌的细微变化不敏感,使其在发光二极管和激光器等领域具有广阔的应用前景.     

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.