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991.
Serdar Öğüt Juan C. Idrobo Julius Jellinek Jinlan Wang 《Journal of Cluster Science》2006,17(4):609-626
We examine low-energy isomeric forms, static polarizabilities, and optical absorption spectra of Ag
n
, n = 2–8, and Au
n
, n = 2–3, clusters using first principles computations within the static and time-dependent versions of the density functional theory. The noticeable decrease in the static polarizabilities of Ag7 and Ag8 compared to the values characteristic of Ag
n
, n = 2–6, is correlated with the transition from two-dimensional to three-dimensional structures at n = 7. The optical spectra computed within the time-dependent local density approximation for the most stable structures are in good agreement with the available experimental data and the results of earlier theoretical studies. Optical spectra of higher-energy isomers typically present features that are not observed in the experimental spectra. The d electrons affect the spectra of noble metal clusters by quenching the oscillator strengths through screening of the s electrons and by getting directly involved in the excitations. Due to the larger s–d hybridization in Au compared to Ag, these effects are more pronounced in Au
n
clusters. 相似文献
992.
Mohamed GG Omar MM Hindy AM 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,62(4-5):1140-1150
Metal complexes of Schiff base derived from 2-thiophene carboxaldehyde and 2-aminobenzoic acid (HL) are reported and characterized based on elemental analyses, IR, 1H NMR, solid reflectance, magnetic moment, molar conductance and thermal analysis (TGA). The ligand dissociation as well as the metal-ligand stability constants were calculated pH metrically at 25 degrees C and ionic strength mu=0.1 (1M NaCl). The complexes are found to have the formulae [M(HL)2](X)n.yH2O (where M=Fe(III) (X=Cl, n=3, y=3), Co(II) (X=Cl, n=2, y=1.5), Ni(II) (X=Cl, n=2, y=1) and UO2(II) (X=NO3, n=2, y=0)) and [M(L)2] (where M=Cu(II) (X=Cl) and Zn(II) (X=AcO)). The molar conductance data reveal that Fe(III) and Co(II), Ni(II) and UO2(II) chelates are ionic in nature and are of the type 3:1 and 2:1 electrolytes, respectively, while Cu(II) and Zn(II) complexes are non-electrolytes. IR spectra show that HL is coordinated to the metal ions in a terdentate manner with ONS donor sites of the carboxylate O, azomethine N and thiophene S. From the magnetic and solid reflectance spectra, it is found that the geometrical structure of these complexes are octahedral. The thermal behaviour of these chelates shows that the hydrated complexes losses water molecules of hydration in the first step followed immediately by decomposition of the anions and ligand molecules in the subsequent steps. The activation thermodynamic parameters, such as, E*, DeltaH*, DeltaS* and DeltaG* are calculated from the DrTG curves using Coats-Redfern method. The synthesized ligands, in comparison to their metal complexes also were screened for their antibacterial activity against bacterial species, Escherichia coli, Pseudomonas aeruginosa, Staphylococcus pyogones and Fungi (Candida). The activity data show that the metal complexes to be more potent/antibacterial than the parent Schiff base ligand against one or more bacterial species. 相似文献
993.
Tuncer??aykaraEmail author Recai??nam Zülfiye??ztürk Olgun?Güven 《Colloid and polymer science》2004,282(11):1282-1285
The formation of metal complexes between water-soluble polymers, poly(vinyl alcohol) [PVA], poly(N-vinylpyrrolidone) [PVP], poly(acrylamide) [PAAm] and poly(ethylene oxide) [PEO] with trivalent metal ions, Fe3+, Cr3+, and V3+ were studied by using differential pulse polarography (DPP). The general experimental observation is the shift of totally reversible reduction peaks (M3++Hg+e–M2++Hg) towards more negative potentials when the complexing water-soluble polymers are added to the solution of trivalent metal ions. The negative shift in potential permitted the determination of complex formation constants (Kf) between trivalent metal ions and water soluble polymers. The complex formation constants for Fe3+, Cr3+, and V3+ ions with these polymers increased in the order of V3+>Cr3+>Fe3+. 相似文献
994.
首先采用溶液法在碳布上生长Co-MOF二维纳米片,通过高温退火和刻蚀后得到MOF衍生多孔碳纳米片。以Co-MOF衍生的多孔碳纳米片/碳布(CNS/CC)作为碳基骨架,采用电化学沉积法负载高活性氮掺杂石墨烯量子点(N-GQDs),制备得到分级多孔结构的N-GQD/CNS/CC复合材料。组装成自支撑且无粘结剂的N-GQD/CNS/CC电极,当电流密度为1 A·g~(-1)时,其比电容高达423 F·g~(-1)。通过储能机制和电容贡献机制的研究表明,在碳纤维上原位生长的具有高双电层电容的CNS和表面负载具有高赝电容的N-GQDs之间相互协同作用,使得N-GQD/CNS/CC电极具有高电容性能,是一种理想的超级电容器电极材料。电极材料的高导电、分级多孔结构有利于电子的传输和电解质离子的扩散,具有良好的动力学性能,能快速充放电和具有优异的倍率特性。将电极组装成对称型超级电容器,功率密度为250 W·kg~(-1)时对应的能量密度达到7.9 Wh·kg~(-1),且经过10 000次循环后电容保持率为91.2%,说明氮掺杂石墨烯量子点/MOF衍生多孔碳纳米片复合材料是一种电化学性能稳定的具有高电容性能的全碳电极材料。 相似文献
995.
High-energy-density batteries are in urgent need to solve the ever-increasing energy storage demand for portable electronic devices, electric vehicles, and renewable solar and wind energy systems. Alkali metals, typically lithium(Li), sodium(Na) and potassium(K), are considered as the promising anode materials owing to their low electrochemical potential, low density, and high theoretical gravimetric capacities. However, the problem of dendrite growth of alkali metals during their plating/stripping process will lead to low Coulombic efficiencies, a short lifespan and huge volume expansion, eventually hindering their practical commercialization. To resolve this issue, a very effective approach is engineering the anodes on structured current collectors. This review summarizes the development of the alkali metal batteries and discusses the recent advances in rational design of anode current collectors. First, the challenges and strategies of suppressing alkali-metal dendrite growth are presented. Then the special attention is paid to the novel current collector design for dendrite-free alkali metal anodes. Finally, we give conclusions and perspective on the current challenges and future research directions toward advanced anode current collectors for alkali metal batteries. 相似文献
996.
Shota Niibayashi 《Journal of organometallic chemistry》2005,690(2):276-285
A series of titanocene(III) alkoxides L2Ti(III)OR where L = Cp, R = Et(1b), tBu(1a), 2,6-Me2C6H3(1c), 2,6-tBu2-4-Me-C6H2(1d), or L = Cp*, R = Me(2e), tBu(2a), Ph(2f) was synthesized and subjected to reaction with [CpM(CO)3]2 [M = Mo, W], [CpRu(CO)2]2, and Co2(CO)8. The Ti(III) precursors 1a, 1c, 2a, 2e, and 2f reacted with [CpM(CO)3]2 [M = Mo, W] to form heterobimetallic complexes L2Ti(OR)(μ-OC)(CO)2MCp [M = Mo, W], of which Ti and M are linked by an isocarbonyl bridge. Reactions of these Ti(III) complexes with Co2(CO)8 resulted in formation of Ti-Co1 heterobimetallic complexes, from 2a, 2e, or 2f, or Ti-Co3 tetrametallic complexes, Cp2Ti(OtBu)(μ-OC)Co3(CO)9 from 1a, 1b, or 1c. The products were characterized by NMR, IR, and X-ray crystallography. Reaction mechanisms were proposed from these results, in particular, from steric/electronic effects of titanium alkoxides. 相似文献
997.
J. L. Gautier E. Meza E. Silva C. Lamas C. Silva 《Journal of Solid State Electrochemistry》1997,1(2):126-133
The electrochemical insertion of lithium in the spinel-type manganite with the formula ZnNi
y
Mn2–
y
O4 has been studied. The galvanostatic discharge curves show that the best performance is obtained for y = 0.25, where a tetragonal to cubic structural transformation occurs. The thermodynamics and kinetics of the process of insertion
of the lithium into the tetragonal spinel Li
x
ZnNi0.25Mn1.75O4 (x = 0.05–1.3) have been studied. The molar thermodynamic quantities, such as enthalpy, entropy and free energy determined by
EMF-T measurements, varied with the lithium concentration in the oxide structure, and a major variation was observed around
x = 0.8. The chemical diffusion coefficient of lithium in these spinels was also determined. Structural analysis, degree of
oxidation and magnetic susceptibility measurements were carried out for the lithiated oxides in order to obtain the cationic
distribution as a function of x. It has been possible to demonstrate that, upon lithium insertion, Mn4+ ions on B sites are reduced to Mn3+ and then to Mn2+. A cooperative Jahn-Teller effect is present in these spinel manganese-nickel oxides.
Received: 4 February 1997 / Accepted: 11 April 1997 相似文献
998.
999.
游离氧化钙,氧化镁连续测定的电导法研究 总被引:8,自引:0,他引:8
研究了乙二醇对氧化钙,氧化镁的提取条件,利用乙二醇提取氧化钙后在催化剂存在下继续提取氧化镁,建立了电导法连续测定CaO,MgO分析方法,可用于水泥熟料中游离氧化钙,氧化镁的测定。 相似文献
1000.
Chemical Modification of Silica Gels 总被引:2,自引:0,他引:2
Highly porous pure and polyethyleneglycol (PEG)-doped silica gels have been prepared from tetraethyl orthosilicate (TEOS) in ethanol using NH4OH base-catalysis. Addition of PEG to the SiO2-system increases the average particle size and most frequent pore diameter of the resultant gels while their total surface area decreases. The viscosity of the sol increases with PEG concentration and passes through a maximum with increasing molecular weight at PEG 200. Results obtained indicate a definite interaction of the polymer with SiO2 and that this interaction is not as a result of direct formation of Si– O– C linkage, but is more likely to be due to hydrogen bonding between the hydrated PEG and the Si– O– Si network. Structure-process correlations are considered. 相似文献