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排序方式: 共有1080条查询结果,搜索用时 921 毫秒
1.
In this study, the decomposition of methanol into the CO and H species on the Pd/tungsten carbide (WC)(0001) surface is systematically investigated using periodic density functional theory (DFT) calculations. The possible reaction pathways and intermediates are determined. The results reveal that saturated molecules, i.e., methanol and formaldehyde, adsorb weakly on the Pd/ WC(0001) surface. Both CO and H prefer three-fold sites, with adsorption energies of −1.51 and −2.67 eV, respectively. On the other hand, CH3O stably binds at three-fold and bridge sites, with an adsorption energy of −2.58 eV. However, most of the other intermediates tend to adsorb to the surface with the carbon and oxygen atoms in their sp3 and hydroxyl-like configurations, respectively. Hence, the C atom of CH2OH preferentially attaches to the top sites, CHOH and CH2O adsorb at the bridge sites, while COH and CHO occupy the three-fold sites. The DFT calculations indicate that the rupture of the initial C–H bond promotes the decomposition of CH3OH and CH2OH, whereas in the case of CHOH, O–H bond scission is favored over the C–H bond rupture. Thus, the most probable methanol decomposition pathway on the Pd/WC(0001) surface is CH3OH → CH2OH → trans-CHOH → CHO → CO. The present study demonstrates that the synergistic effect of WC (as carrier) and Pd (as catalyst) alters the CH3OH decomposition pathway and reduces the noble metal utilization. 相似文献
2.
A self-assembled monolayer (SAM) of p-hydroxymethylbenzene HOCH2C6H4 - (HOMB) moiety adsorbed on iron by the formation of a covalent bond between carbon and iron atoms was prepared by electrochemical derivatization of an iron electrode with p-hydroxymethylbenzenediazonium tetrafluoroborate HOCH2C6H4N2BF4. The electrode covered with the HOMB SAM was modified with alkyltriethoxysilanes CnH2n+1Si(OC2H5)3 (CnTES, n = 8 or 18) to prepare a film of one-dimensional polymer. The protective ability of the polymer film was determined by polarization measurement of the covered electrode in an aerated 0.5 M NaCl solution. The ability was enhanced by modification of the HOMB SAM with CnTES markedly. The iron surface coated with the one-dimensional polymer film of the HOMB SAM modified with C8TES was characterized by contact angle measurement and FTIR reflection and X-ray photoelectron spectroscopies. The persistence in the protective ability of the polymer film against iron corrosion in 0.5 M NaCl may be associated with the strong adsorption via the covalent bond, revealed by electron-probe microanalysis. 相似文献
3.
R. Meyer Hilde Hardtdegen R. Carius D. Grützmacher M. Stollenwerk P. Balk A. Kux B. Meyer 《Journal of Electronic Materials》1992,21(3):293-298
This paper presents a study of the structural and optical properties of strained GaInAs/ InP multiple quantum well (MQW) structures
fabricated by LP-MOVPE. The composition of the Ga
x
In1−x
As films ranged fromx = 0.17 tox = 1.0 and was determined by sputtered neutral mass spectrometry (SNMS) on thick layers. The structures of the MQW samples
with well widths from 1.5 to 5 nm were investigated by high resolution x-ray diffraction (HR-XRD). Simulations of the diffraction
patterns showed that transition layers of approximately 2 monolayer (ML) thickness with high lattice mismatch exist at the
interfaces. Photoluminescence (PL) measurements indicate well widths of a multiple of a monolayer with local variations of
one monolayer. The PL peak energies vary smoothly with the Ga concentration. These results were confirmed by optical absorption
measurements. 相似文献
4.
本文介绍了运用地表岩石吸附烃法指示四川浅层油气藏,发现吸附烃异常与油气井产能有良好吻合性,反映了地下裂缝系统和油气聚集的分布。并对实验条件、各种可能的影响因素及一些基础理论问题进行了实验分析和讨论。 相似文献
5.
用热失重法确定水合粘土水分含量及存在形式 总被引:1,自引:1,他引:0
文章以蒙脱土为例,采用热失重法定性定量确定了水合粘土中结合水类型、界限及其相对含量,并与等温吸附法结果进行了对比。结果表明,用该方法得到的水合蒙脱土中各种水分的相对含量及总含水量与等温吸附实验结果相一致。热失重(25~250 ℃)分析结果表明,水合蒙脱土中水分子主要存在自由水、松散吸附结合水、紧密吸附水(强吸附结合水)3种状态,分别对应于25~75 ℃、75~120 ℃、120~230 ℃区间里的失水。从热失重(25~250 ℃)规律来看,仍存在两个明显的转折点p/ps=0.9、0.98,它们为粘土-水体系的两个特征湿度,前者为粘土表面强结合水与松散结合水(渗透结合水)之间的界限,后者为松散结合水与自由水之间的界限,这验证了等温吸附法确定的两个特征湿度及对粘土表面结合水界限划分的正确性。 相似文献
6.
Vibrational mode in a two-dimensional dust monolayer is investigated by considering the finite size of dust grains. Each dust grain is assumed to be a negative point charge and a dipole moment due to the inhomogeneous charge distribution on its surface. The dispersion relation of the vibrational mode is derived. Both the self-excited and externally excited cases are discussed. It is shown that the mode is sensitive to the direction of the dipole moment. 相似文献
7.
Upon the application of amperometric biosensor to the biological fluid, ascorbic acid interferes the amperometric determination of analytes, because the oxidative potential of ascorbic acid is lower than that of electro active substances such as H2O2 produced by the enzymatic reaction. In this study we propose a method to block ascorbic acid based on the electrostatic interaction with self-assembled monolayer (SAM) and its application of the surface modified electrode to biosensor. In order to form SAM on the gold electrode with carboxyl group, 7-carboxy-heptanethiol (7-CHT) was used. The 7-CHT modified electrode did not show anodic response to ascorbic acid, but oxidized phenanthroline cobalt complex [Co(phen)32+], which can be used as a mediator of biosensor. Thus, the 7CHT-modified electrode was applied to biosensor mediated with Co(phen)32+. Fructose dehydrogenase (FDH) was immobilized to the 7-CHT modified electrode. Fructose was determined selectively with the FDH/7-CHT modified electrode at the range of 0.2-2 mM. 相似文献
8.
L. A. Gioielli R. N. M. Pitombo M. Vitolo R. Baruffaldi M. N. Oliveira M. S. Augusto 《Journal of the American Oil Chemists' Society》1994,71(6):579-582
The lipase-catalyzed interesterification of oils and fats gives products that are unobtainable by chemical interesterification
methods. Acidolysis of babassu fat and palmitic acid, catalyzed by immobilized lipase (Lipozyme; Novo Industri, Bagsveard,
Denmark), was studied. The reactions were performed at 65°C with 5% w/w enzyme for 4 h. The molar proportions of babassu fat/palmitic
acid were 1∶0.1, 1∶0.3 and 1∶0.5. At the end of the reaction period, the catalyst particles were removed by filtration, and
the residual oil was extracted with organic solvent (diethyl ether). The recovered particles were then reused. The palmitic
acid content of babassu fat before and after acidolysis changed from 10 to 22% at a molar proportion of 1∶0.5. The equilibrium
was attained in about 4 h. The original water and enzymatic activities of Lipozyme were maintained after acidolysis. Water
sorption isotherms of the immobilized enzyme were determined at 25, 35 and 45°C. From the temperature dependence of the isotherms,
isosteric heats of sorption were evaluated by means of the Clausius Clapeyron equation. Monolayer moisture content was calculated
by means of the B.E.T. and Guggenhein-Anderson-De Boer analyses.
Paper presented at the International Meeting on Fats and Oils Technology, Universidade Estadual de Campinas, Brazil, 1991. 相似文献
9.
Yuko Habuta Naoaki Narishige Kazu Okumura Naonobu Katada Miki Niwa 《Catalysis Today》2003,78(1-4):131-138
Vanadium oxide spread highly on TiO2 (anatase, A) and SnO2, and rather densely on TiO2 (rutile, R) and ZrO2 to make the monolayer in less than 4–5 V nm−2. Profile of acid site of the monolayer was measured by temperature programmed desorption of ammonia, and its relation with the surface oxidation state was studied. The acid site density was high on the V2O5/TiO2 (A) independent of the degree of oxidation. On the other hand, that of V2O5/TiO2 (R) and V2O5/ZrO2 depended on the oxidation state, and the high value of the concentration was observed on the oxidized one. The strength of acid site generated on the V2O5 monolayer on TiO2 was as high as on the HZSM-5 zeolite. Turnover frequency (TOF) of propane conversion, and product selectivity were measured in propane oxidation. Among tested oxides, the V2O5/TiO2 (A) showed the high TOF and selectivity to form propylene, while those loaded on TiO2 (R) and ZrO2 the small TOF and poor selectivity. Therefore, the reaction profile of activity and selectivity could be related with the extent of spreading and solid acidity. An idea of limit of the acid site density ca. 1.5 nm−2 on the monolayer was elucidated. 相似文献
10.