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Advancements in perovskites for solar cell commercialization:A review 被引量:1
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作者 Tejas Dhanalaxmi Raju Vignesh Murugadoss +3 位作者 Kiran A.Nirmal Tukaram D.Dongale Arul Varman Kesavan Tae Geun Kim 《Advanced Powder Materials》 2025年第2期32-75,共44页
The efficiency of perovskite solar cells(PSCs)has progressed rapidly,exceeding 26%for single-junction devices and surpassing 34%in perovskite-silicon tandem configurations,establishing PSCs as a promising alternative ... The efficiency of perovskite solar cells(PSCs)has progressed rapidly,exceeding 26%for single-junction devices and surpassing 34%in perovskite-silicon tandem configurations,establishing PSCs as a promising alternative to traditional photovoltaic technologies.However,their commercialization is constrained by significant stability challenges in outdoor environments.This review critically examines key cell-level issues affecting the long-term performance and reliability of PSCs,focusing on instabilities arising from the intrinsic phases of the perovskite absorber and external stress factors.Mitigation strategies to enhance stability are discussed,alongside recent advancements in charge transport layers,electrodes,and interfaces aimed at reducing environmental degradation and improving energy level alignment for efficient charge extraction.The importance of accelerated aging tests and the establishment of standardized protocols is underscored for accurately predicting device lifetimes and identifying failure mechanisms,thereby ensuring stability under real-world conditions.Furthermore,a comprehensive techno-economic analysis evaluates how advancements in materials and strategic innovations influence efficiency,durability,and cost,which are critical for the commercial adoption of PSCs.This review delineates the essential steps required to transition PSC technology from laboratory-scale research to widespread commercialization within the global photovoltaic industry. 展开更多
关键词 Perovskites Solar cells COMMERCIALIZATION Techno-economic analysis DEGRADATION Charge transport layers
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Synthesis of interfacial electric field-enhanced CdS/Cd_(x)Zn_(1-x)S/ZnO ternary heterojunction by lye dissolution etching mechanism for photocatalytic H_(2)production and CO_(2)reduction
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作者 Qi Li Shengchao Yang +7 位作者 Yufan Huang Yuwei Liang Chunling Hu Min Wang Zhiyong Liu Yanlong Tai Jichang Liu Yongsheng Li 《Journal of Materials Science & Technology》 2025年第1期152-165,共14页
The difficulty in fabricating a multifaceted composite heterojunction system based on Cd_(x) Zn_(1-x) S limits the enhancement of photocatalytic performance.In the present scrutiny,novel ZnO/Cd_(x) Zn_(1-x) S/CdS com-... The difficulty in fabricating a multifaceted composite heterojunction system based on Cd_(x) Zn_(1-x) S limits the enhancement of photocatalytic performance.In the present scrutiny,novel ZnO/Cd_(x) Zn_(1-x) S/CdS com-posite heterojunctions are successfully prepared by the alkaline dissolution etching method.The internal electric field at the interface of I-type and Z-scheme heterojunction improved the effective charge sepa-ration.The ZC 8 sample exhibits excellent photocatalytic performance and the H2 production efficiency is 15.67 mmol g^(−1) h^(−1) with good stability up to 82.9%in 24-hour cycles.The performance of CH_(4) and CO capacity in the CO_(2) RR process is 3.47μmol g^(−1) h^(−1) and 23.5μmol g^(−1) h^(−1),respectively.The photogener-ated accelerated charge transport is then examined in detail by in situ X-ray photoelectron spectroscopy(ISXPS)and density functional theory(DFT)calculations.This work presents a new idea for the synthe-sis of Cd_(x) Zn_(1-x) S solid-solution-based materials and provides a solid reference for the detailed mechanism regarding the electric field at the heterojunction interface. 展开更多
关键词 Photocatalysis Interface electric field Composite heterostructure Photocatalytic mechanism Cd_(x)Zn_(1-x)S solid-solution
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An overview on importance, synthetic strategies and studies of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(HNIW) 被引量:9
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作者 J.VENKATA VISWANATH K.J.VENUGOPAL +1 位作者 N.V.SRINIVASA RAO A.VENKATARAMAN 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2016年第5期401-418,共18页
2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(HNIW), commonly called as CL-20, is a high energy and high density material of keen interest to both commercial and scientific worlds due to its greater insen... 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(HNIW), commonly called as CL-20, is a high energy and high density material of keen interest to both commercial and scientific worlds due to its greater insensitivity(reduced sensitivity) along with a positive high heat of formation, which is due to the azanitro groups attached to the skeleton of HNIW and its highly strained cage structure. It plays a remarkable role in modification and replacement of most of the propellant(gun and rocket) preparations. In this report we present the comparative strategies involved in the syntheses of HNIW with respect to economical and environmental aspects. Various methods reported in the literature on the purification of the crude HNIW(α-HNIW) to obtain ε-form of HNIW(high dense/more potential) are consolidated. Understanding of the structure, morphology, energetics, thermal behavior and their modification to meet the applicability(decreased impact sensitivity) determines the industrial application of HNIW. A compilation of the available literature on the aforementioned characteristic properties for obtaining a value added ε-HNIW is discussed here. This overview also reports the literature available on newer forms of HNIW including derivatives and cocrystals,which increase the performance of HNIW. 展开更多
关键词 High energetic materials Synthetic strategies Caged nitramine Thermal stability Impact sensitivity
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Synthesis,Crystal Structure and Antimicrobial Study of a New Schiff Base 2-{(2'-Benzyl)iminoethyl}-5-methoxyphenol 被引量:10
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作者 XU Tong-Tao GAO Jian +4 位作者 XU Xing-You NIU Shao-Rui YANG Xu-Jie LU Lu-De WANG Xin 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第7期801-804,共4页
The Schiff base, 2-{(2′-benzyl)iminoethyl}-5-methoxyphenol (C6H4CH2N=C(CH3)C6H3- (OMe-5)OH) 1, was synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction. The compound cr... The Schiff base, 2-{(2′-benzyl)iminoethyl}-5-methoxyphenol (C6H4CH2N=C(CH3)C6H3- (OMe-5)OH) 1, was synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction. The compound crystallizes in the orthorhombic system, space group Pbca with a = 8.9849(10), b = 13.2699(15), c = 22.975(2) A ,V= 2739.3(5) A^3, Mr= 255.31, Z= 8, F(000) = 1088, Dc = 1.238 g/cm^3, T= 293 K, μ = 0.082 mm^-1, λ = 0.71073 .A, the final R = 0.0596 and wR = 0.1575 for 1934 observed reflections with I 〉 2σ(I). The complex was valued for its antimicrobial activity against bacterial strands using the agar diffusion method, and found to be active against the four test bacterial organisms. 展开更多
关键词 2-hydroxyi-4-methoxyacetophenone benzyi amine crystal structure antimicrobiai activity
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Synthesis, Characterization and Antimicrobial Study of a New Schiff Base Paeonol-phenylpropanolamine 被引量:7
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作者 许同桃 许兴友 +4 位作者 高健 刘兰蕾 倪帅帅 陆路德 杨绪杰 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第12期1502-1506,共5页
A novel Schiff base compound was synthesized by the reaction of paeonol and phenylpropanolamine in absolute methanol. It was characterized by elemental analyses, IR, tH NMR and X-ray single-crystal diffraction. The co... A novel Schiff base compound was synthesized by the reaction of paeonol and phenylpropanolamine in absolute methanol. It was characterized by elemental analyses, IR, tH NMR and X-ray single-crystal diffraction. The compound crystallizes in the wiclinic system, space group PI, with a = 6.4075(11), b = 10.2821(18), c = 12.573(2) A, α = 92.606(3),β= 100.980(3), γ = 90.994(3)°, V= 812.1(2) A3, Mr = 299.36, Z = 2, F(000) = 320, Dc=1.224 g/cm^3, T= 293(2) K,μ = 0.083 mm^-1 and 2 = 0.71073 A, the final R = 0.0555 and wR = 0.1619 for 2442 observed reflections with I 〉 2σ(I). The colnpound was valued for its antimicrobial activity against bacterial strands using the agar diffusion method. It is found to be active against Candida albicans and Staphylococcus aureus. 展开更多
关键词 PHENYLPROPANOLAMINE paeonoi crystal structure antimicrobial activity
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Synthesis and Structure of a Two-dimensional Double Chain Iron(Ⅱ) L-Trp Coordination Polymer [Fe(L-trp)_2(HL-trp)_2]_n 被引量:6
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作者 WANG Jian XU Xing-You +5 位作者 MA Wei-Xing XU Rui-Bo TONG Yu-Ping LU Lu-De YANG Xu-Jie WANG Da-Qi 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第2期153-158,共6页
The title complex [Fe(L-trp)2(HL-trp)2]n (L-trp = L-tryptohan or 2-amino-3-(1H -indol-3-yl)-propanoic acid) has been formed by a hydrothermal method involving hexaaquacobaltous perchlorate and L-tryptophan. Th... The title complex [Fe(L-trp)2(HL-trp)2]n (L-trp = L-tryptohan or 2-amino-3-(1H -indol-3-yl)-propanoic acid) has been formed by a hydrothermal method involving hexaaquacobaltous perchlorate and L-tryptophan. The product was characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P211c, with a = 19.828(3), b = 5.4233(14), c = 9.2796(16) A, β= 97.691(2)°, V = 988.9(3) A3, Z = 2, Mr = 462.29, Dx = 1.553 g/cm3, F(000) = 480,/a = 0.802 mm^-1, the final R = 0.0399 and wR = 0.0930 for 1738 observed reflections with I 〉 2σ(/). The structural analysis shows that the complex assumes a two-dimensional double chain plane structure. 展开更多
关键词 crystal structure Fe(Ⅱ) complex L-TRYPTOPHAN polymer SYNTHESIS
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Solution-Phase Synthesis and Characterization of Perovskite LaCoO_3 Nanocrystals via A Co-Precipitation Route 被引量:3
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作者 朱俊武 孙小杰 +3 位作者 王艳萍 汪信 杨绪杰 陆路德 《Journal of Rare Earths》 SCIE EI CAS CSCD 2007年第5期601-604,共4页
A facile co-precipitation route for the synthesis of well-dispersed LaCoO3 nanocrystals was developed. The asprepared products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM),... A facile co-precipitation route for the synthesis of well-dispersed LaCoO3 nanocrystals was developed. The asprepared products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), energy dispersive X-ray spectrometer (EDX), and laser Raman spectroscopy (LRS). The resuks showed that modulating the growth parameters, such as the addition of surfactants as well as the adding manner of the precipitator had a significant effect on the overall shape and size of the obtained nanocrystals. The nanorods with the diameter of 20 nm and spherical LaCoO3 nanocrystals with the size of about 25 nm could be obtained at a relatively low calcining temperature of 600℃. Furthermore, the Raman properties of LaCoO3 products obtained at different calcining temperatures were investigated. 展开更多
关键词 PEROVSKITE LACOO3 CO-PRECIPITATION NANOCRYSTALS rare earths
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Preparation of Ultrafine and High Dispersion Pd/C Catalyst and Its Electrocatalytic Performance for Formic Acid Oxidation 被引量:8
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作者 TANG Ya-wen ZHANG Lin-lin +4 位作者 WANG Xin BAO Jian-chun ZHOU Yi-ming LU Lu-de LU Tian-hong 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2009年第2期239-242,共4页
A carbon supported Pd(Pd/C) catalyst used as the anodic catalyst in the direct formic acid fuel cells(DFAFC) was prepared via the improved complex reduction method with sodium ethylenediamine tetracetate(EDTA) a... A carbon supported Pd(Pd/C) catalyst used as the anodic catalyst in the direct formic acid fuel cells(DFAFC) was prepared via the improved complex reduction method with sodium ethylenediamine tetracetate(EDTA) as stabilizer and complexing agent. This method is very simple. The average size of the Pd particles in the Pd/C catalyst prepared with the improved complex reduction method is as small as about 2.1 nm and the Pd particles in the Pd/C catalyst possess an excellent uniformity. The Pd/C catalyst shows a high electrocatalytic activity and stability for the formic acid oxidation. 展开更多
关键词 Pd/C catalyst Complex reduction method Formic acid oxidation
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Ethylene-bridged Indenyl-fluorenyl Metallocene Complexes for Efficient Preparation of Allyl-terminated Propylene Oligomers and Polymers via Selective β-Methyl Transfer 被引量:3
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作者 Lei Zhang Bin Zhang Haiyan Ma 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2019年第6期578-590,共13页
Four C_1-symmetric ansa-metallocene complexes, C_2H_4(Ind)(2,7-~tBu_2-Flu)ZrCl_2(4), C_2H_4(3-Bn-Ind)(2,7-~tBu_2-Flu)ZrCl_2(5),C_2H_4(3-Bn-Ind)(3,6-~tBu_2-Flu)ZrCl_2(6), and C_2H_4(3-Bn-Ind)(2,7-~tBu_2-Flu)HfCl_2(7), ... Four C_1-symmetric ansa-metallocene complexes, C_2H_4(Ind)(2,7-~tBu_2-Flu)ZrCl_2(4), C_2H_4(3-Bn-Ind)(2,7-~tBu_2-Flu)ZrCl_2(5),C_2H_4(3-Bn-Ind)(3,6-~tBu_2-Flu)ZrCl_2(6), and C_2H_4(3-Bn-Ind)(2,7-~tBu_2-Flu)HfCl_2(7), were synthesized and characterized. The structures of complexes 4, 5, and 7 were further determined via X-ray diffraction studies. Upon activation with modified methylaluminoxane(MMAO) or Al^iBu_3/[Ph_3C][B(C_6F_5)_4](TIBA/TrB), most of these complexes showed high efficiency in catalyzing propylene oligomerization/polymerization to afford products dominantly with allyl terminals via selective β-methyl transfer(β-Me transfer). The introduction of 3-benzyl group on the indenyl ring of the complexes was found to be crucial in enabling highly selective β-Me transfer during the polymerization process, leading to selectivities up to 89% obtained by zirconocene complexes 5 and 6, and up to 91% obtained by hafnocene complex 7. Detailed chain-end analysis by ~1H-NMR, ^(13)C-NMR, and MALDI-TOF mass spectroscopy revealed that the allyl chain-ends of the polymeric products resulted from a selective β-Me transfer process after two successively primary insertions of the monomer. Further studies concerning the dependence of chain release selectivity as well as the molecular weight of products on monomer concentration suggested that both β-Me transfer(major) and β-hydrogen transfer(β-H transfer)(minor) mediated by 5/MMAO and 6/MMAO systems may mainly operate in a bimolecular pathway. 展开更多
关键词 Metallocene Ethylene-bridged indenyl-fluorenyl ligand PROPYLENE Oligo-/polymerization β-Methyl transfer
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Synthesis of visible light responsive ultrafine K_4Ce_2Nb_(10)O_(30) by a stearic acid method 被引量:2
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作者 陈海群 朱俊武 +2 位作者 马俊兴 庞凯 孙小强 《Journal of Rare Earths》 SCIE EI CAS CSCD 2009年第5期811-814,共4页
K4Ce2Nb10O30 ultrafine powders were prepared by stearic acid method (SAM). The obtained products were analyzed by X-ray diffraction, transmission electron microscopy, energy dispersive X-ray spectrometry, scanning ele... K4Ce2Nb10O30 ultrafine powders were prepared by stearic acid method (SAM). The obtained products were analyzed by X-ray diffraction, transmission electron microscopy, energy dispersive X-ray spectrometry, scanning electron microscopy and UV-visible absorption spectra. XRD patterns revealed that K4Ce2Nb10O30 powders treated at 900 oC for 2 h presented tetragonal structure without the presence of deleterious phases. Furthermore, the K4Ce2Nb10O30 prepared by SAM had considerable activity under visible light irradiation. 展开更多
关键词 K4Ce2Nb10O30 stearic acid method visible light responding rare earths
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Synthesis and Crystal Structure of Bi(2-nitrilethyl)aminoacetonitrile 被引量:2
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作者 高键 许兴友 +5 位作者 程青芳 杨绪杰 陆路德 汪信 李一志 刘永江 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2004年第4期413-416,共4页
The title compound bi(2-nitrilethyl)aminoacetonitrile has been prepared by the addition reaction of aminoacetonitrile with acrylonitrile, and its crystal structure was determined by single-crystal X-ray diffraction. T... The title compound bi(2-nitrilethyl)aminoacetonitrile has been prepared by the addition reaction of aminoacetonitrile with acrylonitrile, and its crystal structure was determined by single-crystal X-ray diffraction. The compound (C8H10N4) crystallizes in monoclinic, space group P21/n with a = 7.646(12), b = 14.578(2), c = 8.341(1) ? ?= 100.38(1)? V = 914.5(14) 3, Mr = 162.20, Z = 4, F(000) = 344, Dc = 1.178 g/cm3, T = 293 K, = 0. 077 mm-1 and l = 0.71073 ? The structure was refined to R = 0.0574 and wR = 0.1331 for 1107 observed reflections with I > 2(I). 展开更多
关键词 bi(2-nitrilethyl)aminoacetonitrile SYNTHESIS crystal structure inequilateral structure
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Tuning the reactivity of TiO_(2)layer with uniform distribution of Sub-5 nm Fe_(2)O_(3)particles via in situ voltage-assisted oxidation for robust catalytic reduction 被引量:1
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作者 Nisa Nashrah Abdelkarim Chaouiki +1 位作者 Wail Al Zoubi Young Gun Ko 《Nano Materials Science》 EI CAS CSCD 2024年第2期223-234,共12页
The trade-off between efficiency and stability has limited the application of TiO_(2)as a catalyst due to its poor surface reactivity.Here,we present a modification of a TiO_(2)layer with highly stable Sub-5 nm Fe_(2)... The trade-off between efficiency and stability has limited the application of TiO_(2)as a catalyst due to its poor surface reactivity.Here,we present a modification of a TiO_(2)layer with highly stable Sub-5 nm Fe_(2)O_(3)nanoparticles(NP)by modulating its structure-surface reactivity relationship to attain efficiency-stability balance via a voltage-assisted oxidation approach.In situ simultaneous oxidation of the Ti substrate and Fe precursor using high-energy plasma driven by high voltage resulted in uniform distribution of Fe_(2)O_(3)NP embedded within porous TiO_(2)layer.Comprehensive surface characterizations with density functional theory demonstrated an improved electronic transition in TiO_(2)due to the presence of surface defects from reactive oxygen species and possible charge transfer from Ti to Fe;it also unexpectedly increased the active site in the TiO_(2)layer due to uncoordinated electrons in Sub-5 nm Fe_(2)O_(3)NP/TiO_(2)catalyst,thereby enhancing the adsorption of chemical functional groups on the catalyst.This unique embedded structure exhibited remarkable improvement in reducing 4-nitrophenol to 4-aminophenol,achieving approximately 99%efficiency in 20 min without stability decay after 20 consecutive cycles,outperforming previously reported TiO_(2)-based catalysts.This finding proposes a modified-electrochemical strategy enabling facile construction of TiO_(2)with nanoscale oxides extandable to other metal oxide systems. 展开更多
关键词 Titanium dioxide Oxide nanoparticle Electrochemical oxidation Surface reactivity Efficiency Stability
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Cobalt Schiff base complexes: Synthesis characterization and catalytic application in Suzuki–Miyaura reaction 被引量:1
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作者 Rasheeda M.Ansari Lolakshi K.Mahesh Badekai Ramachandra Bhat 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2019年第3期556-563,共8页
3-Methoxysalicylaldehyde was condensed with the amines 4-aminoacetophenone and 2-amino-5-bromopyridine to obtain Schiff base ligands, 1 and 2, which were coordinated to cobalt salts as complex 1 and complex 2, respect... 3-Methoxysalicylaldehyde was condensed with the amines 4-aminoacetophenone and 2-amino-5-bromopyridine to obtain Schiff base ligands, 1 and 2, which were coordinated to cobalt salts as complex 1 and complex 2, respectively. The synthesized ligands and complexes were characterized by spectroscopic(FT-IR,UV–Vis,~1H-NMR and mass spectrometry), thermal(TGA) and elemental analysis. The structures of the complexes were verified by evaluating their magnetic susceptibility and spectroscopic evidences. Synthesized complexes were studied for their catalytic activity in the Suzuki–Miyaura cross-coupling of aryl halides with phenylboronic acid. Optimized reaction yields 90% of the cyanobiphenyl for complex 1 and 91% for complex 2 with 0.1 mmol of catalyst loading thereby substantiating the C\\C coupling efficiency of the synthesized complexes, 1 and 2. 展开更多
关键词 Transition metal complex Schiff base Suzuki-Miyaura coupling reaction COBALT
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Synthesis and Crystal Structure of a New Ternary Mixed Ligand Complex [Cu(ampym)(bapa)Cl](ClO_4) (ampym = 2-Aminopyrimidine, bapa = Bi(3-aminopropyl)amine) 被引量:1
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作者 许同桃 高健 +3 位作者 许兴友 杨绪杰 陆路德 汪信 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第4期469-472,共4页
The title complex [Cu(ampym)(bapa)Cl](ClO4) (C10H22Cl2CuN6O4) was synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction. The crystal crystallizes in the orthorhombic syst... The title complex [Cu(ampym)(bapa)Cl](ClO4) (C10H22Cl2CuN6O4) was synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction. The crystal crystallizes in the orthorhombic system, space group Pna21 with a = 11.9904(12), b = 15.9796(16), c = 8.9 i 43(9) A^°, V = 1708.0(3)A^°3 Mr = 424.78, Z = 4, F(000) = 876, Dc = 1.652 g/cm^3, T = 293 K,μ =1 .619 mm^-1 and λ=0.71073 A^°. The structure was refined to R = 0.0240 and wR : 0.0564 for 2905 observed reflections with I 〉 2σ(I). Flack = 0.039(12). 展开更多
关键词 2-AMINOPYRIMIDINE bi(3-aminopropyl)amine copper complex crystal structure
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Binuclear Aluminum Complexes Supported by Linked Bis(β-diketiminate) Ligands for Ring-Opening Polymerization of Cyclic Esters 被引量:1
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作者 Shaogang Gong Peng Du Haiyan Ma 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2018年第2期190-201,共12页
Binuclear aluminum alkyl complexes 2a–4g supported by linked bis(β-diketiminate) ligands were synthesized via the reaction of AlEt3 or AlMe3 and the corresponding proligand in a 2:1 molar ratio with moderate yiel... Binuclear aluminum alkyl complexes 2a–4g supported by linked bis(β-diketiminate) ligands were synthesized via the reaction of AlEt3 or AlMe3 and the corresponding proligand in a 2:1 molar ratio with moderate yields. The isolated complexes were well-characterized by ^1H-NMR, ^13C-NMR and elemental analysis. The binuclear nature of aluminum complex 2b was further confirmed by an X-ray diffraction study. All complexes 2a–4g could efficiently initiate the ring-opening polymerization(ROP) of ε-caprolactone in toluene. The substituents at the aromatic rings and the linker unit in the auxiliary ligands exerted significant influence on the catalytic behavior of the investigated aluminum complexes. Complex 4g(R^1 = R^2 = Cl) containing propylenyl bridging unit exhibited the highest catalytic activity among these complexes, which might be attributed to the increased electrophilicity of the metal center as well as more opened coordination sphere. The molecular weights of obtained poly(ε-caprolactone)s deviating considerably from the theoretical values indicated that the ROP of ε-caprolactone by complexes 2a–4g was not well-controlled, which was also judged from the broad molecular weight distributions(MWD = 1.47-2.47) of produced poly(ε-caprolactone)s. These complexes proved to be inactive toward the polymerization of rac-lactide alone. In the presence of alcohol the polymerization occurred, which was actually initiated by the decomposition species of the aluminum complex upon the treatment with isopropanol. 展开更多
关键词 Bis(β-diketiminate) ligand Aluminum complex BINUCLEAR Polymerization Cyclic ester
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Synthesis,Crystal Structure and Antimicrobial Study of N,N,N'-Tris(3-aminopropyl)ethylenediamine Copper(Ⅱ) Diperchlorate 被引量:1
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作者 许兴友 许同桃 +3 位作者 高健 王大奇 陆路德 徐国想 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2007年第1期121-125,共5页
The title compound [Cu(C11H29N5)](ClO4)2 was synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction. The compound crystallizes in the monoclinic system, space group P21/n with... The title compound [Cu(C11H29N5)](ClO4)2 was synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction. The compound crystallizes in the monoclinic system, space group P21/n with α = 9.405(2), b = 14.495(3), c = 14.715(3) A, β= 90.262(3)°, V=2006.1(7) A^3,M,=493.83,Z=4,F)(000)= 1028,Dc= 1.635 g/cm^3, T= 298(2) K,μ= 1.403 mm^-1 and = 0.71073 A. The was refined to R = 0.0508 and wR = 0. 1250 for 2293 observed reflections with I 〉 2σ(I). The Cu(Ⅱ) atom possesses a five-coordtinate CuN5 environment which shows a slightly distorted square-pyramidal geonetry. Antimicrobial activity study found that the complex is active against Salmonella species, Staphylococcus aureu, Bacillus pumilus and Bacillus coliforms. 展开更多
关键词 N N N'-tris(3-aminopropyl)ethylenediamine copper compound crystal antimicrobial activity
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Synthesis,Crystal Structure and Spectroscopic Properties of 1,2-Benzothiazine Derivatives:An Experimental and DFT Study 被引量:1
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作者 MUHAMMAD Nadeem Arshad TARIQ Mahmood +7 位作者 ATHER Faroque Khan MUHAMMAD Zia-Ur-Rehman ABDULLAH M.Asiri ISLAM Ullah Khan RIFFAT-Un-Nisa KHURSHID Ayub AZAM Mukhtar MUHAMMAD Tariq Saeed 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第1期15-25,共11页
1,2-Benzothiazine derivatives methyl 3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e] [1,2]thiazine-3-carboxylate 1,1-dioxide(1) and methyl 2-ethyl-3-hydroxy-4-oxo-3,4-dihydro-2Hbenzo[e][1,2]thiazine-3-carboxylate 1,1-dioxid... 1,2-Benzothiazine derivatives methyl 3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e] [1,2]thiazine-3-carboxylate 1,1-dioxide(1) and methyl 2-ethyl-3-hydroxy-4-oxo-3,4-dihydro-2Hbenzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide(2) were synthesized, and characterized by spectroscopic techniques; 1H-NMR and infrared(IR) spectroscopy. Crystals of 1 and 2 were grown by slow evaporation of methanol and ethyl acetate, respectively and their crystal structures were investigated by single-crystal X-ray diffraction analysis. Geometric properties were calculated by the B3 LYP method of density functional theory(DFT) at the 6-31G+(d) basis set to compare with the experimental data. Simulated properties were found in strong agreement with the experimental ones. Intermolecular forces have also been modeled in order to investigate the strength of packing and strong hydrogen bonding was observed in both compounds 1 and 2. Electronic properties such as Ionization Potential(IP), Electron Affinities(EA) and coefficients of the highest occupied molecular orbital(HOMO) and the lowest unoccupied molecular orbital(LUMO) of com- pounds 1 and 2 were simulated for the first time. 展开更多
关键词 1 2-benzothiazine B3LYP/6-31+G (d) density functional theory (DFT) HUMO-LUMO crystal structures
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A Convenient Method for Preparing Shape-controlled ZnO Nanocrystals in a Polyol/Water Mixture System without Surfactants
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作者 朱俊武 汪信 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2009年第1期30-33,共4页
A facile solution-phase route for the synthesis of shape-controlled ZnO nanocrystals in a polyol/water mixture system was developed. The obtained nanocrystals were characterized by X-ray diffraction, transmission elec... A facile solution-phase route for the synthesis of shape-controlled ZnO nanocrystals in a polyol/water mixture system was developed. The obtained nanocrystals were characterized by X-ray diffraction, transmission electron microscopy and UV-visible absorption spectroscopy. The results indicate that modulating the adding ways of water has a significant effect on the shape of the obtained nanocrystals. The addition of small quantity of water can increase the growth rate of crystals and leads to the formation of different shapes. The resulting shapes of the novel structures are diverse, including spheres, cones, and teardrops, all of which are obtained without any additional surfactants. These studies concerning the shape evolution of nanocrystals should be valuable for further design and for greater understanding of advanced nanoscale building-block architectures. 展开更多
关键词 shape-controlled ZnO NANOCRYSTALS preparation polyol/water
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Synthesis of Ultrafine K_2Ln_2Ti_3O_(10) by Microemulsion Method and Its Photoactivity Research
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作者 Li Wei Zhang Lili Yang Xujie Lu Lude Wang Xin 《Journal of Rare Earths》 SCIE EI CAS CSCD 2006年第5期573-573,共1页
A series of uhrafine K2Ln2Ti3O10(Ln = La, Ce, Pr, Nd, Sm, Eu, Dy)photocatalyst was prepared by microemulsion method based on tetrabutyl titanate reacting with potassium hydroxide and lanthanumoxide. The obtained pro... A series of uhrafine K2Ln2Ti3O10(Ln = La, Ce, Pr, Nd, Sm, Eu, Dy)photocatalyst was prepared by microemulsion method based on tetrabutyl titanate reacting with potassium hydroxide and lanthanumoxide. The obtained products were characterized by XRD, TEM and UV-Vis spectra. These results indieate that highly ultrafine K2Ln2Ti3O10 can be accessible at lower fabricating temperature and shorter reation time by this approach. In addition, the investigation on their eatalytieal behavior based on the degradation of methyl orange under UV-Vis light suggests that the degradation rate can reach up to 60%. 展开更多
关键词 layered lanthanum titanate MICROEMULSION PHOTOCATALYST methyl orange rare earths
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Synthesis and Property of H_2La_2Ti_3O_(10)/CdS Layered Nanocomposite Photocatalyst
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作者 Zhang Lili Liu Guanpeng +3 位作者 Zhang Weiguang Lu Lude Yang Xujie Wang Xin 《Journal of Rare Earths》 SCIE EI CAS CSCD 2006年第2期187-187,共1页
H2La2Ti3O10/CdS nanocomposite with er photoactivity was synthesized by a stepwise exchange process from H2La2Ti3O10, which was obtained by H^+ -exchanging reaction of H2La2Ti3O10 with HCl other than the normally used... H2La2Ti3O10/CdS nanocomposite with er photoactivity was synthesized by a stepwise exchange process from H2La2Ti3O10, which was obtained by H^+ -exchanging reaction of H2La2Ti3O10 with HCl other than the normally used HNO3. The pillaring process was investigated by XRD, TEM, FT-IR and BET methods. The photocatalytic decomposition of aniline was used as the model system to evaluate the photochemical properties of H2La2Ti3O10/CdS,H2La2Ti3O10 and K2La2Ti3O10. It is found that the photoactivity of layered H2La2Ti3O10 is greatly improved by the intercalation of CdS in the interlayer. In general, the excellent photoactivity of the H2La2Ti3O10/CdS nanocomposite might be attributing to the extremely small particle size of incorporated CdS and good contact between CdS and La2Ti3O10^2- layers. On the other hand, the coupling of two semiconductor particles with different energy gap is useful to achieve effective charge separation. In H2La2Ti3O10/CdS, a photo-generated electron can transfer from CdS to the La2Ti3O10^2- layer, while the holes remain in the CdS particles. This helps to diffuse the electrons and holes before reaching the interface, and the holes and electrons can be effectively captured by the electrolyte in the solution. Simuhaneously, the optimal operating condition of photodecomposition aniline was investigated. 展开更多
关键词 layered lanthanum titanate PILLARING ANILINE PHOTODECOMPOSITION rare earths
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