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121.
FANG Fang ZHU Yu ZHAO Qian JIANG Gang WANG Hong-Yan 《结构化学》2007,26(9):1092-1096
Geometric and electronic properties of Pdn–1Pb and Pdn (n≤8) clusters have been studied by using density functional theory with effective core potentials, focusing on the differences between mono- and bimetallic clusters. The average bond length of Pdn–1Pb (n≤8) bimetallic clusters is longer than that of pure palladium clusters except for n = 2 and 3. The most stable structure of Pdn–1Pb (n≤7) is the singlet where there is at least a Pd or Pb atom on its excited state. The energy gaps of Pd–Pb binary clusters are narrower than those of Pdn clusters, and then the chemical activity is strengthened when Pdn clusters are doped with Pb. 相似文献
122.
123.
Vesselin Dimitrov 《Journal of solid state chemistry》2005,178(3):831-846
A classification of binary oxide glasses has been proposed taking into account the values obtained on their refractive index-based oxide ion polarizability αO2−(n0), optical basicity Λ(n0), metallization criterion M(n0), interaction parameter A(n0), and ion's effective charges as well as O1s and metal binding energies determined by XPS. Four groups of oxide glasses have been established: glasses formed by two glass-forming acidic oxides; glasses formed by glass-forming acidic oxide and modifier's basic oxide; glasses formed by glass-forming acidic and conditional glass-forming basic oxide; glasses formed by two basic oxides. The role of electronic ion polarizability in chemical bonding of oxide glasses has been also estimated. Good agreement has been found with the previous results concerning classification of simple oxides. The results obtained probably provide good basis for prediction of type of bonding in oxide glasses on the basis of refractive index as well as for prediction of new nonlinear optical materials. 相似文献
124.
UV-Vis-草酸铁络合物-H_2O_2体系产生羟自由基的Fe(phen)_3~(2+)光度法测定 总被引:1,自引:0,他引:1
UV-Vis-草酸铁络合物 -H2O2 法是一种新的高级氧化工艺 ,该工艺产生的羟自由基·OH具有极强的氧化能力 ,可与水中大多数有机物迅速反应而使其降解 ;用Fe(phen)32+ 光度法研究了该体系中羟自由基·OH产生的规律 ,·OH可将Fe(phen)32+(Fe2 +-菲咯啉络合物)氧化成Fe(phen)33+(Fe3 +-菲咯啉络合物),通过测定Fe(phen)32+ 在508nm处吸光度的变化可间接求出·OH的生成量 ;结果表明 ,在 pH=4.0,n(Fe2+)∶n(H2O2)∶n(C2O42-)=1∶5∶10(化学计量数 )时 ,·OH的生成量最大;该分析方法具有简单、快速的优点 相似文献
125.
Alison T. Ung Roger Bishop Donald C. Craig Ian G. Dance A. David Rae Marcia L. Scudder 《Journal of inclusion phenomena and macrocyclic chemistry》1993,15(4):385-398
The inclusion compounds of 2,8-dimethyltricyclo[5.3.1.13,9]dodecane-syn-2,syn-8-diol,3, with ferrocene and with squalene have been prepared. The crystal structures of these helical tubulate compounds: (3)3·(ferrocene)0.75 [P3121,a=b=13.7480(6),c=7.0312(5) Å,Z=1,R=0.038] and (3)3·(squalene)0.23 [P3121,a=b=13.677(1),c=7.0533(9) Å,Z=1,R=0.042] are described.
Supplementary Data relating to this article are deposited with the British Library as supplementary publication No. SUP 82151 (16 pages). 相似文献
126.
Woo-Jin Lee Su-Il Pyun Tae-Hyun Yang Joong-Do Kim Young-Ho Baek Han-Gyu Kim 《Journal of Solid State Electrochemistry》1997,1(2):120-125
Hydrogen transport through a Pd-Ni alloy electrodeposited on a Pd substrate (Pd-Ni/Pd bilayer symmetric electrode) has been
investigated using cyclic voltammetry and a.c. impedance spectroscopy combined with the electrochemical hydrogen permeation
method. The permeation build-up current transients and the measured impedance spectra were analyzed using the time-lag method
for the bilayer electrode and a complex non-linear least squares data-fitting method based upon the derived Faradaic admittance
for the hydrogen absorption into and diffusion through the bilayer electrode under the permeable boundary condition, respectively.
The value of the hydrogen diffusivity in the Pd-Ni layer was lower than that in the Pd layer. Furthermore, the values of the
charge transfer resistance and equilibrium absorption constant for the Pd-Ni/Pd bilayer electrode were higher than those for
the Pd single layer electrode. From the experimental results, the role of the thin Ni(OH)2 film formed on the Pd-Ni layer surface in the hydrogen transport through the Pd-Ni/Pd bilayer electrode is discussed in terms
of its passivating effect and extremely large hydrogen solubility.
Received: 22 January 1997 / Accepted: 15 April 1997 相似文献
127.
《中国化学快报》2020,31(4):988-991
Designing efficient electrocatalysts with low Pt loadings for hydrogen evolution reaction(HER) is urgently required for renewable and sustainable energy conversion.Here,we report a strategy that Pt nanoparticulates are spontaneously immobilized on porous MXene/MAX monolith as HER catalysts by utilizing the redox reaction between Ti_3C_2T_x MXene and [PtCl_4]~2 in H_2 PtCl_6 aqueous solution.By taking advantage of homogeneously distributed Pt nanoparticulates on highly electrically conductive porous Ti_3C_2T_x/Ti_3AlC_2 monolith,the as-prepared electrocatalysts show high catalytic performance for hydrogen evolution.Specifically,the binder-free electrocatalysts have Pt loadings as low as 8.9 μg/cm~2,with low overpotential of 43 mV at a curre nt density of 10 mA/cm~2 and low Tafel slope that three times lower than porous Ti_3C_2T_x/Ti_3AlC_2 without Pt loading.This strategy offers a new approach to constructing ultra-low Pt-loading HER catalysts on the basis of in situ redox reaction between noble metal ions and MXenes. 相似文献
128.
变温红外光谱研究多嵌段聚氨脂脲的微相分离行为 总被引:7,自引:0,他引:7
用傅里叶变换红外光谱方法研究了热处理对由聚环氧丙烷聚醚多元醇、3.5-二乙基甲苯二胺和4,4-二苯基甲烷二异氰酸酯组成的多嵌段聚氨酯脲(SPUU)的微相分离行为的影响.从室温逐步升温到310℃的过程中,氨基甲酸酯键(UT)之间形成的氢键大量解离,而脲键(UA)之间形成的、具有平面状双分叉结构的氢键在130~200℃范围却大量生成;从310℃缓慢冷却到室温后,部分游离的UT重新形成氢键,而硬段之间形成的UA氢键的含量又有所增加.结果表明:高温热处理可以有效地提高SPUU的微相分离程度. 相似文献
129.
Balamurugan V Hundal MS Mukherjee R 《Chemistry (Weinheim an der Bergstrasse, Germany)》2004,10(7):1683-1690
Using a group of six neutral M(II)Cl(2)-containing coordination compounds as building blocks, the first systematic investigation of C-H...Cl hydrogen-bonding interactions was performed. Single-crystal X-ray structural analyses of four new compounds (pseudo-tetrahedral Co(II) and Zn(II); distorted trigonal bipyramidal Zn(II)) authenticate the metal coordination geometry. To provide a unified view of the presence of noncovalent interactions in this class of compounds, we have re-examined the packing diagram of two previously reported compounds (a distorted square-pyramidal Cu(II) complex and a trans-octahedral Co(II) complex). The organic ligands of our choice comprise bidentate/tridentate pyrazolylmethylpyridines and an unsymmetrical tridentate pyridylalkylamine. This systematic investigation has allowed us to demonstrate the existence of versatile C-H...Cl(2)M interactions and to report the successful application of such units as inorganic supramolecular synthons. Additional noncovalent interactions such as C-H...O and O-H...Cl hydrogen bonding and pi-pi stacking interactions have also been identified. Formation of novel supramolecular architectures has been revealed: 2D lamellar (p-cyclophane) and 3D lamellar, 3D "stitched staircase" (due to additional hydrogen-bonding interactions by water tetramers, with an average O-O bond length in the tetramer unit of 2.926 A, acting as "molecular clips" between staircases), 3D linked ladder, and single-stranded 1D helix. 相似文献
130.
Summary The calculation of the effects of temperature and isotopic composition on the energy weighted moments of the dipole oscillator strength distribution of H2 in the random phase approximation to the polarization propagator are reported. It is seen that the effect of isotopic composition is small, while that of temperature is of an order accessible to experiment. We find that all the mean excitation energiesI
, for =–1, 0, 1, decrease with temperature as does the dipole oscillator strength momentS() for >0, while the opposite is true for <0. These effects are interpreted in terms of the bond length dependence of the excitation energies. 相似文献