Yb0.140Gd0.813La0.047VO4晶体的生长、光谱和激光损伤阈值

采用Czochralski方法生长出了Yb0.140Gd0.813La0.047VO4晶体,并测试了Yb3+与La3+在GdVO4晶体中的有效分凝系数.实验结果表明,掺入La3+可在一定程度上提高晶体的激光损伤阈值和晶体生长过程中的稳定性.此外,La3+的引入还有利于减缓高浓度Yb3+掺杂晶体中的荧光捕获效应和浓度猝灭效应的激光损伤阈值.Yb3+在该晶体中具有很宽的吸收半峰宽和荧光半峰宽,分别为26nm和47nm,具有较大的吸收截面和发射截面,分别为2.26×10-20cm2和0.96×10-20cm2,因此该晶体有望用作可调谐激光晶体和飞秒激光晶体.     

Nd∶GdVO4晶体生长及其1064nm的激光特性

本文报道了用Czochralski方法生长Nd∶GdVO4晶体,测量了该晶体的偏振吸收谱和荧光谱,表明晶体在808.5nm有吸收峰,其发射波长在1064nm.晶体中掺Nd浓度的原子分数为1.56;的Nd∶GdVO4的4F3/2荧光寿命为100μs.用激光二极管泵浦1mm厚的Nd∶GdVO4晶体,得到了超过1W 1064nm的输出光,泵浦阈值为20mW,光-光转换效率为55.9;,斜效率为63;.     

Yb3+: Sr3Gd(BO3)3激光晶体的生长和光谱特性

采用提拉法(Czochralski)生长出了掺Yb3+的Sr3Gd(BO3)3晶体,晶体尺寸达到:25 mm×30 mm.测量了Yb3+: Sr3Gd(BO3)3晶体的吸收谱、荧光谱以及荧光寿命.Yb3+: Sr3Gd(BO3)3晶体在975 nm有一半峰宽为7 nm的强吸收峰,π谱的吸收跃迁截面σa=7.28×10-21 cm2,在1040 nm的发射跃迁截面σe=1.43×10-21 cm2.辐射寿命为1.46 ms, Yb3+浓度为13 at;时的荧光寿命f=2.14 ms,Yb3+浓度为0.5 at;时的荧光寿命f=1.21 ms.     

掺镨钒酸钆晶体的研究

生长了新型激光晶体Pr:GdVO4,经XRD分析可知生长的晶体与纯GdVO4晶体结构一致,晶体质量良好.室温下测试了晶体400～3000 nm范围内的吸收光谱.通过对吸收光谱研究,发现σ谱图中各吸收峰吸收强度更大,宜选择入射光传播方向和电矢量均垂直于光轴的方向进行激光实验.采用404 nm的激发源抽运Pr:GdVO4晶体,测试其荧光光谱,发现其在可见波段有宽且强荧光发射(604 nm、616 nm),对应于1D2→3H4.比较不同浓度晶体的荧光谱,荧光强度呈现如下趋势:0.5;>0.7;>0.32;.     

Yb:YAP晶体的光谱性能研究

应用中频感应加热提拉法生长出掺杂浓度为10;原子分数的Yb:YAP晶体,研究了室温下Yb:YAP晶体的吸收和发射光谱特性以及荧光寿命.Yb:YAP晶体在959nm处有最强吸收,吸收截面约为1.51 × 10-20 cm2,在1040nm处的发射截面为0.6 ×10-cm2,激光上能级荧光寿命为1.2 ms,此处自吸收较小,是实现激光输出的候选波长.研究了氧气退火对Yb:YAP晶体的光谱性能的影响.Yb:YAP晶体轴向效应明显,b轴将是作为激光输出的首选方向.比较了Yb:YAP晶体和Yb:YAG晶体的光谱性能参数.     

Nd:Ca10 K(VO4)7激光晶体的生长及光谱性质

采用固相法合成多晶粉末原料,并用提拉法(Czochraski)生长出尺寸约为φ20 mm×20mm、光学质量优良的Nd:Ca10K(VO4)7晶体.采用电感耦合等离子体原子发射光谱法(ICP)测定了Nd3 、K 离子在晶体中的掺杂浓度,并据此计算出其有效分凝系数Keff分别为1.25、0.73.测定了晶体的热膨胀系数,约为αa=7.9×10-6K-1,αc=11.3×10-6K-1;维氏硬度为358.3VDH.在室温下测定了Nd:Ca10K(VO4)7晶体的偏振吸收谱、偏振荧光谱及荧光寿命,并用J-O理论计算了其光谱参数.结果表明,该晶体在810 nm处的吸收半峰宽为11 nm,其吸收截面为5.06×10-20cm2;在1069nm处具有较大的发射截面,约为1.72×10-19cm2.同时,该晶体还具有比较弱的浓度猝灭效应.这些特点表明该晶体较适合用作微片激光材料.     

Sm：GdVO4晶体的生长及光谱性能研究

应用中频感应提拉法生长出掺杂浓度为2%原子分数的Sm:GdVO4晶体,研究了室温下c轴方向sm:GdVO4晶体的吸收和荧光光谱.通过J-O理论计算出强度参数(Ωt),同时计算了对应于4G5/2能级的自发跃迁几率、荧光分支比和辐射寿命.通过荧光光谱计算了对应于566、604和646nm三个发射峰对应的发射截面,结果表明,Sm:GdVO4在604 nm的发射截面最大,是掺Sm:YAP在607 nm处发射截面的4.4倍.     

Yb3+:YVO4晶体的生长及光谱性能研究

采用提拉法生长出光学质量优良的Yb3+:YVO4晶体,研究生长过程中工艺参数的控制.测得掺杂浓度为18.1;Yb3+:YVO4晶体中Yb3+离子的有效分凝系数Keff为0.96.测定了不同Yb3+离子掺杂浓度晶体的吸收光谱和荧光光谱,并分别计算了不同掺杂浓度下Yb3+:YVO4晶体的光谱参数.本文总结和解释了掺杂浓度影响其性能的规律,讨论了Yb3+:YVO4晶体作为激光晶体的优点.     

Nd∶GdVO4热常数的测量和激光性能研究

中频感应加热提拉法生长了低钕掺杂的GdVO4晶体,用机械分析仪来测量Nd∶GdVO4晶体的热膨胀系数, 沿c方向的热膨胀系数为7.42×10-6/K,而沿a方向的热膨胀系数只有1.05×10-6/K,比同比Nd0.0054Y0.9946VO4晶体样品测量结果小.差示扫描热计法测量了Nd∶GdVO4晶体的比热, 298K时为0.52J/g*K.首次用激光脉冲法测量了Nd∶GdVO4晶体的室温热导率.实验表明,Nd∶GdVO4晶体沿<001>方向的热导率数值达11.4W/m*K, 比Nd∶YAG晶体高(测得10.7W/m*K),其<100>方向的热导率为10.1W/m*K.激光实验显示在较高功率泵浦激光输出上Nd∶GdVO4晶体具有比Nd∶YVO4晶体更加优良的性能.     

Nd3+:LiLa(MoO4)2晶体生长、光谱和激光特性

本论文报道了Nd3+:LiLa(MoO4)2晶体生长、光谱和激光特性.采用提拉法生长出尺寸为φ20×34mm3的Nd+3+:LiLa(MoO4)2晶体.应用Judd-Ofelt理论计算了Nd3+离子在Nd3+:LiLa(MoO4)2晶体中唯象强度、自发发射跃迁几率、荧光分支比、辐射跃迁寿命和荧光量子效率.Nd3+:LiLa(MoO4)2晶体的偏振吸收跃迁截面分别为9.52×10-20cm2(π-偏振)和4.46×10-20cm2(σ-偏振).它的偏振发射跃迁截面分别为0.67×10-19cm2(σ-偏振)和1.02×10-19cm2(σ-偏振).在氙灯泵浦下,获得74.4mJ的1.06μm的激光输出,激光阈值为0.676J,激光总效率和斜率效率分别为0.39;和0.48;.     

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.