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2008 Volume 24 Issue 9
2008, 24(09):
Abstract:
2008, 24(09): 1535-1539
doi: 10.1016/S1872-1508(08)60062-5
Abstract:
The structures and properties of some Schiff base compounds doped in organogels were investigated. It was found that although individual Schiff bases could not form organogels with organic solvents, they can gel by mixing with an organogelator, N,N’-...
The structures and properties of some Schiff base compounds doped in organogels were investigated. It was found that although individual Schiff bases could not form organogels with organic solvents, they can gel by mixing with an organogelator, N,N’-...
2008, 24(09): 1540-1546
doi: 10.3866/PKU.WHXB20080902
Abstract:
Composition and phase transformation mechanism in the oxidization process of CaO-FeOx-SiO2 (CFS) system with high iron content were investigated by comprehensive thermodynamic calculation and deduction. Variation of the iron valence states with oxyge...
Composition and phase transformation mechanism in the oxidization process of CaO-FeOx-SiO2 (CFS) system with high iron content were investigated by comprehensive thermodynamic calculation and deduction. Variation of the iron valence states with oxyge...
2008, 24(09): 1547-1552
doi: 10.3866/PKU.WHXB20080903
Abstract:
La0.9Cu0.1MnO3 and LaCoO3 catalysts were synthesized by amorphous complexing method. Platinum nanoparticles supported by these composite oxide catalysts were prepared by using colloid deposition process. The structure, morphology, and Pt valence of t...
La0.9Cu0.1MnO3 and LaCoO3 catalysts were synthesized by amorphous complexing method. Platinum nanoparticles supported by these composite oxide catalysts were prepared by using colloid deposition process. The structure, morphology, and Pt valence of t...
2008, 24(09): 1553-1557
doi: 10.1016/S1872-1508(08)60063-7
Abstract:
The electrochemical measurement and surface analysis methods were employed to investigate the corrosion behavior of steel A3 influenced by Thiobacillus ferrooxidans (T.f). Polarization curve results indicated that the presence of Thiobacillus ferroox...
The electrochemical measurement and surface analysis methods were employed to investigate the corrosion behavior of steel A3 influenced by Thiobacillus ferrooxidans (T.f). Polarization curve results indicated that the presence of Thiobacillus ferroox...
2008, 24(09): 1558-1562
doi: 10.1016/S1872-1508(08)60064-9
Abstract:
Conomarphin, a novel conopeptide containing D-amino acid, was identified from the venom of Conus marmoreus and classified into M-superfamily of conotoxin. In this article, we reported the 3D structure of conomarphin at pH 5 determined using 2D 1H NMR...
Conomarphin, a novel conopeptide containing D-amino acid, was identified from the venom of Conus marmoreus and classified into M-superfamily of conotoxin. In this article, we reported the 3D structure of conomarphin at pH 5 determined using 2D 1H NMR...
2008, 24(09): 1563-1567
doi: 10.3866/PKU.WHXB20080906
Abstract:
Under ultrasonic andusingthe additive LomarDas dispersant, the printing“ink”can be prepared with LiMn2O4, which was synthesized through a sol-gel method. Through an ink-jet printing process, thin film LiMn2O4 electrode with thickness of about 1.8 μm ...
Under ultrasonic andusingthe additive LomarDas dispersant, the printing“ink”can be prepared with LiMn2O4, which was synthesized through a sol-gel method. Through an ink-jet printing process, thin film LiMn2O4 electrode with thickness of about 1.8 μm ...
2008, 24(09): 1568-1572
doi: 10.3866/PKU.WHXB20080907
Abstract:
Ni/γ-Al2O3 catalysts modified by La2O3 were prepared with incipient wetness impregnation and used in biogas reforming to hydrogen. The catalysts were characterized with XRD, H2-TPR, BET, and TEM, respectively, and the relationship between the perform...
Ni/γ-Al2O3 catalysts modified by La2O3 were prepared with incipient wetness impregnation and used in biogas reforming to hydrogen. The catalysts were characterized with XRD, H2-TPR, BET, and TEM, respectively, and the relationship between the perform...
2008, 24(09): 1573-1578
doi: 10.3866/PKU.WHXB20080908
Abstract:
The NICS (nucleus-independent chemical shift) values of steady structures of the transition-metal pure clusters Nbn, Con (n≤4) and binary transition-metal clusters NbxCoy (x+y≤8) were calculated by using density functional theory. The electronic conf...
The NICS (nucleus-independent chemical shift) values of steady structures of the transition-metal pure clusters Nbn, Con (n≤4) and binary transition-metal clusters NbxCoy (x+y≤8) were calculated by using density functional theory. The electronic conf...
2008, 24(09): 1579-1583
doi: 10.1016/S1872-1508(08)60065-0
Abstract:
The radial breathing modes (RBMs) of (M )n and (BeO)n rings (n=3-10) were calculated using the density functional theory at B3LYP/6-31G(d) level. It was found that for large rings, the radial breathing mode (RBM) frequency was inversely proportional ...
The radial breathing modes (RBMs) of (M )n and (BeO)n rings (n=3-10) were calculated using the density functional theory at B3LYP/6-31G(d) level. It was found that for large rings, the radial breathing mode (RBM) frequency was inversely proportional ...
2008, 24(09): 1584-1588
doi: 10.1016/S1872-1508(08)60066-2
Abstract:
Photodegradation of a textile dye X3B and photoreduction of dichromate (Cr(VI)) in an acidic aqueous solution were studied under 320 nm cut-off UV light irradiation in the presence of two polyoxometalates (POM), H3PW12O40 (PW) and H4SiW12O40 (SiW). T...
Photodegradation of a textile dye X3B and photoreduction of dichromate (Cr(VI)) in an acidic aqueous solution were studied under 320 nm cut-off UV light irradiation in the presence of two polyoxometalates (POM), H3PW12O40 (PW) and H4SiW12O40 (SiW). T...
2008, 24(09): 1589-1596
doi: 10.3866/PKU.WHXB20080911
Abstract:
Commercial activated carbon (AC) was post-activated by means of simultaneous physical-chemical activation in order to produce porous carbon supports with different pore sizes and surface areas. Photocatalysts of AC-supported TiO2 were prepared by wel...
Commercial activated carbon (AC) was post-activated by means of simultaneous physical-chemical activation in order to produce porous carbon supports with different pore sizes and surface areas. Photocatalysts of AC-supported TiO2 were prepared by wel...
2008, 24(09): 1597-1601
doi: 10.3866/PKU.WHXB20080912
Abstract:
Li doping ZnO powders had been synthesized by using carbamide and glycine as fuel and zinc nitrate as oxidant. And then the as-synthesized powders were sintered by spark plasma sintering (SPS). XRD, SEM, and TEM were employed to characterize the micr...
Li doping ZnO powders had been synthesized by using carbamide and glycine as fuel and zinc nitrate as oxidant. And then the as-synthesized powders were sintered by spark plasma sintering (SPS). XRD, SEM, and TEM were employed to characterize the micr...
2008, 24(09): 1602-1608
doi: 10.3866/PKU.WHXB20080913
Abstract:
Geometries of manganese (III) 5,10,15-tris(pentafluorophenyl) corrole (TPFC)MnIII and its imidazole axial binding adduct (TPFC)MnIII(Im) were optimized by using DFT(UB3LYP) method at 6-31G* basis set level. Calculation results indicated that (TPFC)Mn...
Geometries of manganese (III) 5,10,15-tris(pentafluorophenyl) corrole (TPFC)MnIII and its imidazole axial binding adduct (TPFC)MnIII(Im) were optimized by using DFT(UB3LYP) method at 6-31G* basis set level. Calculation results indicated that (TPFC)Mn...
2008, 24(09): 1609-1614
doi: 10.3866/PKU.WHXB20080914
Abstract:
Sm2O3 nanoparticles were prepared in W/O reverse microemulsion composed of cetyltrimethylammonium bromide (CTAB), n-butanol, n-octane, Sm(NO3)3 brine, and ammonia water. Based on the pseudo-ternary phase diagrams of the microemulsions at 25 ℃, a micr...
Sm2O3 nanoparticles were prepared in W/O reverse microemulsion composed of cetyltrimethylammonium bromide (CTAB), n-butanol, n-octane, Sm(NO3)3 brine, and ammonia water. Based on the pseudo-ternary phase diagrams of the microemulsions at 25 ℃, a micr...
2008, 24(09): 1615-1619
doi: 10.3866/PKU.WHXB20080915
Abstract:
Pt/C catalysts with different Pt particle sizes were prepared with the organic sol method. Pt particles in the Pt/C catalyst had high dispersity and excellent homogenicity. The electrochemical study indicated that there was an obvious size effect of ...
Pt/C catalysts with different Pt particle sizes were prepared with the organic sol method. Pt particles in the Pt/C catalyst had high dispersity and excellent homogenicity. The electrochemical study indicated that there was an obvious size effect of ...
2008, 24(09): 1620-1624
doi: 10.1016/S1872-1508(08)60067-4
Abstract:
The corrosion and anodic dissolution behaviors of pure aluminumin Na2SnO3-containing 4 mol·L-1 KOH methanol-water mixed solutions with a methanol/water volume ratio of 4:1 were investigated. This was carried out by means of hydrogen collection, polar...
The corrosion and anodic dissolution behaviors of pure aluminumin Na2SnO3-containing 4 mol·L-1 KOH methanol-water mixed solutions with a methanol/water volume ratio of 4:1 were investigated. This was carried out by means of hydrogen collection, polar...
2008, 24(09): 1625-1630
doi: 10.1016/S1872-1508(08)60068-6
Abstract:
B3LYP/6-311++G** and MP2/6-311++G** calculations were used to analyze the interaction between hypochlorous acid (HOCl) and formyl chloride (HCOCl). The results showed that there were four equilibriumgeometries (S1, S2, S3, and S4) optimized at B3LYP/...
B3LYP/6-311++G** and MP2/6-311++G** calculations were used to analyze the interaction between hypochlorous acid (HOCl) and formyl chloride (HCOCl). The results showed that there were four equilibriumgeometries (S1, S2, S3, and S4) optimized at B3LYP/...
2008, 24(09): 1631-1636
doi: 10.3866/PKU.WHXB20080918
Abstract:
Cyclobis(paraquat-p-anthracene) is a novel electron-deficient macrocyclic host. One of the most important applications of the host is molecular recognition. The binding energies of the host to several guest molecules like water, ammonia, alcohol, and...
2008, 24(09): 1637-1642
doi: 10.3866/PKU.WHXB20080919
Abstract:
The calculations on the interaction between cytosine and carbon monoxide have been performed at B3LYP/6-311+G** level and six local minimum isomers have been found. Both C and O can combine with N—H bond of cytosine and then hydrogen bonds between th...
The calculations on the interaction between cytosine and carbon monoxide have been performed at B3LYP/6-311+G** level and six local minimum isomers have been found. Both C and O can combine with N—H bond of cytosine and then hydrogen bonds between th...
Electrooxidation of Ethanol at Ni-B Amorphous Alloy Electrode and Measurements of Kinetic Parameters
2008, 24(09): 1643-1649
doi: 10.3866/PKU.WHXB20080920
Abstract:
Electrocatalytic oxidation of ethanol at the nano Ni-B amorphous alloy powder microelectrode and the electroless Ni-B amorphous alloy microdisk electrode in alkaline media was studied by using cyclic voltammetry. It was found that the nano Ni-B amorp...
Electrocatalytic oxidation of ethanol at the nano Ni-B amorphous alloy powder microelectrode and the electroless Ni-B amorphous alloy microdisk electrode in alkaline media was studied by using cyclic voltammetry. It was found that the nano Ni-B amorp...
2008, 24(09): 1650-1654
doi: 10.3866/PKU.WHXB20080921
Abstract:
A novel one-dimensional zinc(II) coordination polymer [Zn(acac)2(4,4’-bipy)]n was solvothermally synthesized and characterized by IR, elemental analysis, thermal analysis, 1H NMR, and X-ray diffraction methods. The complex crystallized in monoclinic ...
A novel one-dimensional zinc(II) coordination polymer [Zn(acac)2(4,4’-bipy)]n was solvothermally synthesized and characterized by IR, elemental analysis, thermal analysis, 1H NMR, and X-ray diffraction methods. The complex crystallized in monoclinic ...
2008, 24(09): 1655-1661
doi: 10.3866/PKU.WHXB20080922
Abstract:
The ground-state structures of ZrnB(n=1-13) clusters were determined by using density functional theory (DFT). The second-order energy differences and fragmentation energies of the ground-state structures were calculated and discussed. The results in...
The ground-state structures of ZrnB(n=1-13) clusters were determined by using density functional theory (DFT). The second-order energy differences and fragmentation energies of the ground-state structures were calculated and discussed. The results in...
2008, 24(09): 1662-1668
doi: 10.3866/PKU.WHXB20080923
Abstract:
The gradient corrected density functional theory (DFT) calculations were presented on the adsorption of both hydrogen and sulfur on pure Pd(111), Cu(111) and Au(111) surfaces, as well as on PdM3(111), Pd2M2(111), and Pd3M(111) surfaces. The most favo...
The gradient corrected density functional theory (DFT) calculations were presented on the adsorption of both hydrogen and sulfur on pure Pd(111), Cu(111) and Au(111) surfaces, as well as on PdM3(111), Pd2M2(111), and Pd3M(111) surfaces. The most favo...
2008, 24(09): 1669-1674
doi: 10.3866/PKU.WHXB20080924
Abstract:
The precursor of sodium manganese oxide xerogel was prepared from Mn(CH3COO)2·4H2O and Na2CO3 solution by sol-gel method, then sodiummanganese oxide cathode materials were prepared through calcinating xerogel precursors in air atmosphere. The structu...
The precursor of sodium manganese oxide xerogel was prepared from Mn(CH3COO)2·4H2O and Na2CO3 solution by sol-gel method, then sodiummanganese oxide cathode materials were prepared through calcinating xerogel precursors in air atmosphere. The structu...
2008, 24(09): 1675-1680
doi: 10.3866/PKU.WHXB20080925
Abstract:
Layered double hydroxide (LDH) had been used as a carrier of acetylsalicylic acid (ASP) to prepare intercalation compound LDH-ASP via ion exchange reaction. The influence of release medium on the carrier was investigated through extrinsic release tes...
Layered double hydroxide (LDH) had been used as a carrier of acetylsalicylic acid (ASP) to prepare intercalation compound LDH-ASP via ion exchange reaction. The influence of release medium on the carrier was investigated through extrinsic release tes...
2008, 24(09): 1681-1684
doi: 10.3866/PKU.WHXB20080926
Abstract:
The electronic structure and magnetic properties of the molecule-based magnet [Cu(μ(H2O)]n (cbdca=cyclobutanedicarboxylate) compound with copper ions as the metallic magnetic center were studied using the FP_LAPW(first-principle full-potential linear...
The electronic structure and magnetic properties of the molecule-based magnet [Cu(μ(H2O)]n (cbdca=cyclobutanedicarboxylate) compound with copper ions as the metallic magnetic center were studied using the FP_LAPW(first-principle full-potential linear...
2008, 24(09): 1685-1688
doi: 10.3866/PKU.WHXB20080927
Abstract:
XPS spectra were used to determine the binding energies for Pt-PVP nanoparticles before and after Ar+ ion sputtering, as well as for some oxides nanoparticles (TiO2, ZnO, and SiO2). The binding energies of the nanoparticles were compared with those o...
XPS spectra were used to determine the binding energies for Pt-PVP nanoparticles before and after Ar+ ion sputtering, as well as for some oxides nanoparticles (TiO2, ZnO, and SiO2). The binding energies of the nanoparticles were compared with those o...
2008, 24(09): 1689-1693
doi: 10.3866/PKU.WHXB20080928
Abstract:
A new low-cost method to prepare polycrystalline silicon thin films by solution-based aluminum-induced crystallization (AIC) was introduced in this article. Amorphous silicon (a-Si) thin films with 50 nm thickness were deposited by low-pressure chemi...
A new low-cost method to prepare polycrystalline silicon thin films by solution-based aluminum-induced crystallization (AIC) was introduced in this article. Amorphous silicon (a-Si) thin films with 50 nm thickness were deposited by low-pressure chemi...
2008, 24(09): 1694-1698
doi: 10.3866/PKU.WHXB20080929
Abstract:
V2.1TiNi0.4Zr0.06Cux (x=0-0.12) hydrogen storage alloys were prepared by induction melting with magnetic levitation, and the effects of Cu content on the microstructure and electrochemical properties of the alloys were investigated by XRD, SEM, EDS, ...
V2.1TiNi0.4Zr0.06Cux (x=0-0.12) hydrogen storage alloys were prepared by induction melting with magnetic levitation, and the effects of Cu content on the microstructure and electrochemical properties of the alloys were investigated by XRD, SEM, EDS, ...
2008, 24(09): 1699-1702
doi: 10.3866/PKU.WHXB20080930
Abstract:
Heat capacity Cp,m of 1-docosanol was precisely measured in the temperature range from 78 to 400 K by means of an automated adiabatic calorimeter. The dependence of heat capacity on the temperature was fitted to polynomial equations with least square...
Heat capacity Cp,m of 1-docosanol was precisely measured in the temperature range from 78 to 400 K by means of an automated adiabatic calorimeter. The dependence of heat capacity on the temperature was fitted to polynomial equations with least square...
2008, 24(09): 1703-1708
doi: 10.3866/PKU.WHXB20080931
Abstract:
Using combinational chip method, all-components Zn-Al film samples were prepared via ion beam sputtering. The as-deposited multilayer films were transformed into alloy films after annealing in Ar/H2 atmosphere for 2 h at 370 ℃. The compositom, struct...
Using combinational chip method, all-components Zn-Al film samples were prepared via ion beam sputtering. The as-deposited multilayer films were transformed into alloy films after annealing in Ar/H2 atmosphere for 2 h at 370 ℃. The compositom, struct...
2008, 24(09): 1709-1713
doi: 10.3866/PKU.WHXB20080932
Abstract:
Fluorescence spectroscopic properties of p-N,N-dimethylaminobenzonitrile (DMABN) in various kinds of surfactant micellar solutions were investigated. The results showed that the characteristics of the palisade layers of different surfactant micelles ...
Fluorescence spectroscopic properties of p-N,N-dimethylaminobenzonitrile (DMABN) in various kinds of surfactant micellar solutions were investigated. The results showed that the characteristics of the palisade layers of different surfactant micelles ...
2008, 24(09): 1714-1718
doi: 10.3866/PKU.WHXB20080933
Abstract:
Selective adsorptive desulfurization of model gasolines containing different amounts of aromatics and olefin compounds, such as benzene and 1-octene, on Ce(IV)Y zeolite was studied using a fixed-bed adsorption column, Fourier transform-infrared spect...
Selective adsorptive desulfurization of model gasolines containing different amounts of aromatics and olefin compounds, such as benzene and 1-octene, on Ce(IV)Y zeolite was studied using a fixed-bed adsorption column, Fourier transform-infrared spect...
2008, 24(09): 1719-1723
doi: 10.3866/PKU.WHXB20080934
Abstract:
Finite field polymerization was applied to prepare carbon nanotubes-polyaniline (CNTs-PANI) composite based on coating polyaniline on the surface of the CNTs. The microstructure and component of the obtained materials were characterized by transmissi...
Finite field polymerization was applied to prepare carbon nanotubes-polyaniline (CNTs-PANI) composite based on coating polyaniline on the surface of the CNTs. The microstructure and component of the obtained materials were characterized by transmissi...
Inhibition Action and Adsorption Behavior of Environment-Friendly Inhibitor Poly-Aspartate on Copper
2008, 24(09): 1724-1728
doi: 10.3866/PKU.WHXB20080935
Abstract:
The inhibition action and adsorption behavior of an environment-friendly inhibitor poly-aspartate (PASP) on copper in aqueous NaCl (0.02%) solution were investigated by means of electrochemical techniques. The results indicated that the best inhibiti...
The inhibition action and adsorption behavior of an environment-friendly inhibitor poly-aspartate (PASP) on copper in aqueous NaCl (0.02%) solution were investigated by means of electrochemical techniques. The results indicated that the best inhibiti...
2008, 24(09): 1729-1732
doi: 10.3866/PKU.WHXB20080936
Abstract:
The electrocatalytic performance of the Ir catalyst prepared with a new complex reduction method using NH4F as the complexing reagent for the oxidation of ammonia was reported. The results indicated that the average size of Ir particles in the Ir cat...
The electrocatalytic performance of the Ir catalyst prepared with a new complex reduction method using NH4F as the complexing reagent for the oxidation of ammonia was reported. The results indicated that the average size of Ir particles in the Ir cat...
2008, 24(09): 1733-1738
doi: 10.3866/PKU.WHXB20080937
Abstract:
The effect of CO2-3 on copper electrodeposits from 1-hydroxyethylidene-1,1-diphosphonic acid (HEDPA) baths was investigated over a wide range of concentration by electrochemical measurements, XRD, and IR spectra of the complex. It could be seen from ...
The effect of CO2-3 on copper electrodeposits from 1-hydroxyethylidene-1,1-diphosphonic acid (HEDPA) baths was investigated over a wide range of concentration by electrochemical measurements, XRD, and IR spectra of the complex. It could be seen from ...
