Investigation on luminescence of Na3Ca6(PO4)5:Eu2+ phosphor for LEDs

In this paper, a series of Na₃Ca_6(1−x)(PO₄)₅:xEu²⁺ (NCP:xEu²⁺, 0 ≤ x ≤ 4%) phosphors were prepared by conventional solid-state reaction method, and their photoluminescence properties were studied. Upon 365 nm excitation, the typical NCP:2%Eu²⁺ phosphor shows an asymmetric bluish green emission band with the dominant peak at 498 nm which could be attributed to the 4f⁶5d¹-4f⁷ transition of Eu²⁺. By measuring the time-resolved photoluminescence spectra, it reveals more than one Eu²⁺ emission center in the Eu²⁺-activated NCP phosphors. By monitoring 498 nm, the excitation spectrum of NCP:2%Eu²⁺ demonstrates a broad excitation band ranging from 240 to 450 nm, which can match well with the emission wavelength of the NUV LED chip. The SEM image shows that the average particle size of NCP:2%Eu²⁺ is about 19.4 µm. The above results imply that the NCP:Eu²⁺ phosphor could have potential application in LEDs.     

Effect of alkali metal ions co-doping on the structure and luminescent properties of phosphor Zn3(BO3)2:Eu3+

A series of the Zn₃(BO₃)₂:Eu³⁺ without or with alkali metal ions doping at a low sintering temperature were synthesized by the solid-state reaction method. The XRD pattern shows that all samples exhibit Zn₃(BO₃)₂ crystalline phase. The samples co-doped with alkali metal ions have better crystallinity compared with the un-compensated ones. The different charge compensation approaches have no influence on the shape and position of the emission and excitation spectra. However, the luminescent intensity of samples has been obviously enhanced with different alkali metal ions co-doping. The introduction of Li⁺ can increase the red emission of Eu³⁺ compared with the others. Thus, the volume compensation and the equilibrium of mole number can be taken into consideration by charge compensated (CC) approaches.     

A potential red-emitting phosphors scheelite-like triple molybdates LiKGd_2(MoO_4)_4:Eu~(3+) for white light emitting diode applications

A series of novel red-emitting phosphors scheelite-like triple molybdates LiKGd2-xEux(MoO4)4(0.1 ≤ x ≤ 1.9) were synthesized by solid state reaction method and their photoluminescence properties were investigated. The photoluminescence results show that all samples can be excited efficiently by UV (396 nm) light and blue (466 nm) light and emit red (615 nm) light with line spectra,which are coupled well with the characteristic emission from UV-LED and blue LED,respectively. The experimental results and thei...     

White LEDs using the sharp β‐sialon: Eu phosphor and Mn‐doped red phosphor for wide‐color gamut display applications

The sharp β‐sialon (Si_6‐zAl_zO_zN_8‐z : 0 < z < 0.1):Eu green phosphor, combining with a blue LED and CaAlSiN₃:Eu red phosphor, is suitable for the wide‐color gamut white LEDs backlighting system, because of its sharp and asymmetric emission spectrum shape. However, the color gamut and the brightness of the aforementioned display is restricted because of the wide emission band of the CaAlSiN₃:Eu red phosphor. In this work, we used K₂SiF₆:Mn as an alternate red phosphor, which has a sharp emission spectrum. The display with the white LED using sharp β‐sialon:Eu and K₂SiF₆:Mn shows a wide‐color gamut, which covers the hole NTSC triangle. The use of K₂SiF₆:Mn enables to realize not only a wider color gamut but also a higher brightness of displays, compared with the use of CaAlSiN₃:Eu. Furthermore, it is confirmed that the white LED using sharp β‐sialon:Eu and K₂SiF₆:Mn is stable against temperature and also durable under the accelerated drive conditions.     

Spectroscopic and photoluminescence properties of MgO:Cr3+ nanosheets for WLEDs

This work explores the synthesis of nanocrystalline MgO:Cr³⁺ (1–9 mol%) nanophosphors via solution combustion route at 400 °C. The nanophosphors were well characterized by powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and Fourier transform infra-Red (FTIR) spectroscopy. PXRD results confirm cubic phase and SEM micrographs indicate that the particles are highly porous and agglomerated. The TEM images show that the powder consists of spherical particles of size ∼5–15 nm. Upon 356 nm excitation the emission profile of MgO:Cr³⁺ exhibits an emission peak at 677 nm due to ²E_g → ⁴A_2g transition. It was observed that PL intensity increases with increase in Cr³⁺ concentration and highest PL intensity was observed for 3 mol% doped sample and afterward it decreases, attributed to concentration quenching. The resultant CIE chromaticity co-ordinates in the white region make the present phosphor highly useful for display applications and also for white light-emitting diodes (WLEDs).     

Red phosphor Li2Mg2(WO4)3: Eu3+ with lyonsite structure for near ultraviolet light-emitting diodes

A series of Eu³⁺-activated Li₂Mg₂(WO₄)₃ (LMW) materials were synthesized by high temperature solid state reactions. The phosphor can be effectively excited by 394 nm near ultraviolet light and emit intense red light with high color purity. Prepared phosphors can be indexed to LMW with particular lyonsite structure. The occupation of Eu³⁺ in LMW is selective. Most of Eu³⁺ comes into ¹A sites without inversion symmetry. The present research suggests that LMW is a suitable host for luminescence applications and Eu³⁺-activated LMW is a promising phosphor for phosphor-converted white light-emitting diodes.     

Synthesis of Sm3+ and Dy3+ doped LaBWO6 for evaluation as potential materials in luminescent display applications

A series of Sm³⁺ and Dy³⁺ doped LaBWO₆ phosphors were synthesized by high temperature solid state reaction. Recorded XRD patterns proved that the titled compound in a single phase has been obtained. Sm³⁺ and Dy³⁺ doped LaBWO₆ could emit orange and white light, respectively. The optimal doping concentration of Sm³⁺ or Dy³⁺ was experimentally ascertained to be 6 mol%. The critical distance of energy transfer for Sm³⁺ or Dy³⁺ doped sample is 1.540 nm. In addition, there is no cross energy transfer between the Sm³⁺ and Dy³⁺ ions in the co-doped samples. The results indicated that the electric dipole–dipole interaction is predominant energy transfer mechanism for concentration quenching of Sm³⁺ or Dy³⁺ doped LaBWO₆ phosphor. The charge transfer band was observed in the excitation spectra of Sm³⁺ or Dy³⁺ doped LaBWO₆ phosphors. Present investigation indicated that Sm³⁺ and Dy³⁺ doped LaBWO₆ can be applied in solid state lighting and LaBWO₆ is a promising host for display applications.     

1-(4-硝基苯基)-3-(5,6-二甲基-1,2,4三氮唑)-三氮烯质子迁移的理论研究

采用密度泛函B3LYP在6-31G*基组下,对有机显色剂1-(4-硝基苯基)-3-(5,6-二甲基-1,2,4三氮唑)-三氮烯(NPDMTT)的各种可能结构进行质子迁移的3种可能途径:(a)分子内质子迁移,(b)水助质子迁移,(c)甲醇助质子转移的计算,得到了各种途径异构体的相对能,获得了它们的互变异构过程的活化能、活化吉布斯自由能和质子转移反应的速率常数等性质。计算结果表明,分子内质子转移形成的各种异构体相对能量较大,当水分子或甲醇分子参与反应时,异构体的相对能量明显减小,但无论是孤立分子、一水合物还是一甲醇合物,其最稳定的异构体都相同,均为A2。溶剂化效应对异构化能垒的影响较大。最稳定的异构体分子内质子转移在N11和N13间转移的速控步骤的活化能为130.9 kJ.mol-1,反应速度常数为2.172×10-11s-1;当水分子参与反应以双质子转移机理异构化时,活化能显著降低,有利于三氮异构化,其中异构体质子在N11和N13间转移的速控步骤的活化能为22.55 kJ.mol-1,反应速度常数为3.617×107s-1;当醇分子参与反应以双质子转移机理异构时,活化能减小得更多,其中异构体质子在N11和N13间转移的速控步骤的活化能为2.384 kJ.mol-1,反应速度常数为9.032×1011s-1。计算结果还表明,氢键作用在增大NPDMTT一水合物和NPDMTT一甲醇合物相对稳定性、降低质子转移异构化反应活化能等方面起着重要作用。     

1-二茂铁基-3-(4-二甲氨基苯基)丙烯酮的合成及三阶非线性光学性质研究

合成一种新的潜在应用的非线性光学(NLO)有机材料1-二茂铁基-3-(4-二甲氨基苯基)丙烯酮(FDAK)且通过1H NMR、IR、MS和元素分析表征。同时采用粉末Nd:YAG激光技术测定了标题化合物的三阶非线性光学性质并确定了相关参数。纳秒实验结果:折射率n2=-1.9×10-17 m2/W,吸收系数β=-7.7×10-11 m/W,极化率χ(3)=1.07×10-11 esu,分子超极化率γ=4.67×10-31 esu;皮秒实验结果:n2=2.5×10-19 m2/W,β=-5.9×10-12 m/W,γ=1.13×10-31 esu,χ(3)=2.0×10-13 esu。目标化合物的热稳定性见DSC曲线。     

Enhanced PL and VUV absorption of BaZr(BO3)2:Eu3+ by Al3+ incorporation

Abstract— The photoluminescence (PL) and vacuum‐ultraviolet excitation (VUV) properties of BaZr(BO₃)₂ doped with the Eu³⁺ activator ion were studied as a new red phosphor for PDP applications. The excitation spectrum shows strong absorption in the VUV region with an absorption band edge at 200 nm. The charge‐transfer excitation band of Eu³⁺ was enhanced by co‐doping with an Al³⁺ ion into the BaZr(BO₃)₂ lattices. The PL spectrum shows the strongest emission at 615 nm, corresponding to the electric dipole ⁵D₀ → ⁷F₂ transition of Eu³⁺ in BaZr(BO₃)₂, which results in good red‐color purity.     

Study of the effect of water on thermal and operating degradation of BaMgAl10O17: Eu2+ (BAM) blue phosphor

Abstract— From the adsorption and desorption characteristics of water, we showed that water can intercalate into BaMgAl₁₀O₁₇: Eu²⁺ blue phosphor. ESR, XANES, and XPS analyses confirmed that oxidation by water causes thermal degradation of BAM. We also demonstrated that intercalated water accelerates luminance degradation under VUV irradiation and showed oxidation of Eu²⁺ during panel operation by means of μ‐XPS. We concluded that the cause of thermal and operating degradation of BAM is the oxidation of Eu²⁺ due to water.     

三羰基(三甲硅基)环戊二烯基钼负离子及其钼氢化合物的电子结构及化学键研究

用G98W程序和Lanl2dz基组,全结构优化三羰基(三甲硅基)环戊二烯基钼负离子[(Me_3SiC_5H_4)Mo(CO)_3]~-(Ⅰ)及三羰基(三甲硅基)环戊二烯基钼氢化合物[(Me_3SiC_5H_4)MoH(CO)_3](Ⅱ)。振动频率分析和单点能计算结果表明,位于环戊二烯环(Cp)上的钼能形成半夹心结构的"稳定"化合物。其键长、原子电荷、分子轨道成份和前沿轨道能都表明,钼原子与环戊二烯通过p-d作用形成"氢键",Cp环碳上的p电子和Mo原子d轨道的电子,向钼原子的p轨道转移,形成电荷转移配位化合物。     

Programs for generating Clebsch-Gordan coefficients of SU(3) in SU(2) and SO(3) bases

Computer codes are developed to calculate Clebsch-Gordan coefficients of SU(3) in both SU(2)- and SO(3)-coupled bases. The efficiency of this code derives from the use of vector coherent state theory to evaluate the required coefficients directly without recursion relations. The approach extends to other compact semi-simple Lie groups. The codes are given in subroutine form so that users can incorporate the codes into other programs.

Program summary

Title of program: SU3CGVCSCatalogue identifier: ADTNProgram summary URL:http://cpc.cs.qub.ac.uk/summaries/ADTNProgram obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandLicensing provisions: Persons requesting the program must sign the standard CPC non-profit use licenseComputers for which the program is designed and others on which it is operable: SGI Origin 2000, HP Apollo 9000, Sun, IBM SP, PentiumOperating systems under which the program has been tested: IRIX 6.5, HP UX 10.01, SunOS, AIX, LinuxProgramming language used: FORTRAN 77Memory required to execute with typical data: On the HP system, it requires about 732 KBytes.Disk space used for output: 2100+2460 bytesNo. of bits in a word: 32 bit integer and 64 bit floating point numbers.No. of processors used: 1Has the code been vectorized: NoNo. of bytes in distributed program, including test data, etc.: 26 309No. of lines in distributed program, including test data, etc.: 3969Distribution format: tar gzip fileNature of physical problem: The group SU(3) and its Lie algebra have important applications, for example, in elementary particle physics, nuclear physics, and quantum optics [1-3]. The code presented is particularly relevant for the last two fields. Clebsch-Gordan (CG) coefficients are required whenever the symmetries of many-body systems are used for the evaluation of matrix elements of tensor operators. Moreover, the construction of CG coefficients for SU(3) serves as a nontrivial prototype for larger compact semi-simple Lie algebras and even for non semi-simple Lie algebras. It is the simplest Lie algebra to have multiplicity in its outer products and a non-canonical subalgebra, i.e., SO(3).Method of solution: Vector coherent state theory is first used to construct bases for the products of two irreducible representations (irreps) [4]. The bases are SU(2)-coupled so that SU(2)-reduced CG (or isoscalar factors) can be constructed naturally. The CG coefficients in the SO(3) bases are constructed subsequently from the overlaps between the SU(2) and SO(3) bases.Restriction on the complexity of the problem: The programs are limited by computer memory and the maximum size of variable arrays. As dimension overflow conditions are possible, they are flagged and can be fixed by following the directions given as part of the error message.Typical running time: The calculation time for a single SU(3) CG coefficient is very different for SU(2) and SO(3) bases. It varies between 7.3-54.1 ns in SGI Origin 2000, 0.81-5.48 ms in HP Apollo 9000, or 0.055-0.373 ms in Intel Pentium 4 for SU(2) bases while it is between 0.027-0.255 s in Intel Pentium 4 for SO(3) bases.Unusual features of the program: Intrinsic bit functions: and, or, and shift, called iand, ior, and ishft, respectively, in FORTRAN, are used for packing and unpacking the labels for the irreps. Intrinsic logical btest is used to test the bit for the phase factor.References:[1] Y. Ne'eman, Nucl. Phys. 26 (1961) 222;  M. Gell-Man, Y. Ne'eman, The Eightfold Way, Benjamin, New York, 1964.[2] J.P. Elliott, Proc. Roy. Soc. A 245 (1958) 128, 562.[3] M. Reck, A. Zeilinger, H.J. Bernstein, P. Bertani, Phys. Rev. Lett. 73 (1994) 58;  B.C. Sanders, H. de Guise, D.J. Rowe, A. Mann, J. Phys. A 32 (1999) 7111.[4] D.J. Rowe, C. Bahri, J. Math. Phys. 41 (2000) 6544.     

Predictions on the solubility and equiscale line of water content for the quaternary system (Li+Na+Cl+SO4+H2O) at 298.15 K

Pitzer ion-interaction theory is widely used to calculate the solubilities of salt–water systems. In the paper, the solubilities and equiscale lines of water contents of the reciprocal quaternary system (Li+Na+Cl+SO₄+H₂O) at 298.15 K were calculated using Pitzer theory and Harvie, Møller, Weare solubility modeling approach (HMW model). In this predictive calculation, the quasi-Newton and dichotomy methods were used to solve the system of simultaneous equations of the equilibrium expressions among solid and liquid phases, and to obtain the ionic molalities, Jänecke indices of phase diagram and the Jänecke indices of the equiscale lines of water contents in the reciprocal quaternary system. Based on the Jänecke indices, the dry-salt phase diagram and the equiscale lines of water-phase diagram were plotted. The predictive phase diagram via the theoretical calculation agrees well with the experimental phase diagram except for the phase region of double salt 2 (Li₂SO₄·Na₂SO₄, Db2). Distributions of equiscale lines of water-phase diagram on the dry-salt diagram of the reciprocal quaternary system reflect that phase areas of double salts of Db1 and Db2 bear maximal water contents. The predictive phase diagram and equiscale lines of water-phase diagram are often necessary in the technological design of chemical engineering for the utilization of inorganic salts in salt lake brines.     

化合物C_(12)H_(10)N_4O_2的合成、晶体结构及量子化学研究

以2-吡啶甲酰肼为原料在甲醇和乙酸的混合溶液中合成了标题化合物C_(12)H_(10)N_4O_2。通过采用X射线单晶衍射仪测定了化合物的晶体结构,该晶体属于单斜晶系,空间群为C2/c,晶胞参数为a=1.34782(13)nm,b=1.11699(11)nm,c=0.75678(6)nm,α=90.00°,β=97.7550(10)°,γ=90.00°,V=1.12891(18)nm~2,Z=4,Dc=1.425 Mg.m~(-3),F(000)=504;最终偏差因子R_1=0.0492,wR_2=0.1249[对I>2θ(I)的衍射点]和R_1=0.0659,wR_2=0.1352[对所有衍射点]。该化合物分子由N-N键结合形成直线几何构型,分子间由弱的N—H…O氢键作用形成了二维网状结构。依据晶体结构数据使用程序Guassian 03对化合物进行了量子化学计算,探讨了化合物的分子轨道能量、原子净电荷布居规律和成键特征,分析了其活性原子,并预测了其稳定性。     

读者反馈表

The title compound has been synthesized by reaction of (NH4)3VS4,CuCl, and PBu3 in CH2Cl2 and its structure was determined by single crystal X-raydiffraction. Crystallographic data: C72 H162 Cu6O2P6S8V2, Mr= 1985. 57, monoclinicspace group C2/c, a= 17. 864(3), b= 25. 946(8), c= 24.071 (7),β= 112. 79(2)°,V = 10285. 9, Z= 4, Dc= 1. 28 g/cm3, F(000) = 4192, μ(MoKa) = 16. 7 cm-1,the final R=0.065 and Rw =0.074 for 4051 unique reflections with I> 3σ(I). Thestructure can be described as a metal-sulfur dodecahedral cage fused by two incompletecubane-like VS3Cu3 units connected by Cu - S bonds. The Cu - S bonds within theasymmetric VS3Cu3 unit are slightly shorter than those linking the two centrosymmetrically related VS3Cu3 units. The six copper and two vanadium atoms display asomewhat distorted cubane array with a μ4-S atom on each face of the metal cubane.     

配合物{Cu[PHBA]2(H2O)3}(H2O)3的水热合成、晶体结构、电化学分析及量化计算

在甲醇和水的混合溶剂中通过水热反应,以对羟基苯甲酸和4,4′-联吡啶为配体合成了配合物{Cu[PHBA]_2(H_2O)_3} (H_2O)_3,并测定了配合物的晶体结构,该晶体属三斜晶系,空间群c2(1),晶胞参数为:a=2.4428(5)nm,b=1.14476(17)nm,c=0.72516(11)nm,α=β=γ=90.00°,V=2.0278(6)nm~3,Dc=1.578g/cm~3,Z=4,F(000)=1004。最终偏离因子R_1= 0.0304,wR_2=0.0796。配合物中Cu(Ⅱ)离子与2个对羟基苯甲酸的2个羧基O原子及3个水分子中的3个氧原子配位,形成三角双锥结构,铜位于结构中心。结合晶体结构对配合物进行了电化学性质分析和量子化学计算。     

Synthesis of nearly monodisperse Co3O4 nanocubes via a microwave-assisted solvothermal process and their gas sensing properties

Nearly monodisperse Co₃O₄ nanocubes have been prepared by a microwave-assisted solvothermal (MS) method at 180 °C for 20 min. The samples are characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The XRD pattern and TEM images of the products illustrated that Co₃O₄ nanocubes had a cubic phase with a lateral size of ∼20 nm. The gas response of the Co₃O₄ nanocubes was studied to several typical organic gases. The Co₃O₄ nanocubes showed good gas sensing performance towards xylene and ethanol vapors with rapid and high responses at a low-operating temperature. The results showed that the Co₃O₄ nanocubes can be used to fabricate high performance gas sensors.     

Synthesis, characteristics and luminescent properties of a new europium(III) organic complex applied in near UV LED

A novel indane based β-diketone with trifluorobutane in the contraposition, 5-acetylindane-4,4,4-trifluorobutane-1,3-dione (HAITFBD) and its europium(III) ternary complex, Eu(AITFBD)₃phen, were designed and synthesized, where phen was 1,10-phenanthroline. The complex was characterized by IR, UV-visible, thermogravimetric analysis (TGA) and photoluminescence (PL) spectroscopy in details. The results show that the Eu(III) complex exhibits high thermal stability, wide and strong excitation bands from 300 nm to 425 nm when monitored at 611 nm, which matches well with the 380 nm-emitting InGaN chips. The complex exhibits intense red emission under excitation of near UV light due to the f-f transitions of the central Eu³⁺ ion. Based on the emission spectrum, the CIE chromaticity coordinates of the LED are calculated as x = 0.63 and y = 0.34, which is suitable to be used as an efficient red phosphor in fabrication of white LEDs. The fluorescence lifetime and the luminescence quantum yield were also measured. The lowest triplet state energy of the primary ligand AITFBD was measured to be 17,730 cm⁻¹, higher than that of the lowest excitation state energy level of the central Eu³⁺ ion, ⁵D₀, and this suggests that the photoluminescence of the complex is a ligand-sensitized luminescence process (antenna effect). Finally, a bright red light-emitting diode was fabricated by coating the Eu(AITFBD)₃phen complex onto a 380 nm-emitting InGaN chip. All the results indicate that Eu(AITFBD)₃phen can be applied as a red component for fabrication of near ultraviolet-based white light-emitting diodes.