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111.
Jinnouchi R Kodama K Hatanaka T Morimoto Y 《Physical chemistry chemical physics : PCCP》2011,13(47):21070-21083
A first principles-based mean field model was developed for the oxygen reduction reaction (ORR) taking account of the coverage- and material-dependent reversible potentials of the elementary steps. This model was applied to the simulation of single crystal surfaces of Pt, Pt alloy and Pt core-shell catalysts under Ar and O(2) atmospheres. The results are consistent with those shown by past experimental and theoretical studies on surface coverages under Ar atmosphere, the shape of the current-voltage curve for the ORR on Pt(111) and the material-dependence of the ORR activity. This model suggests that the oxygen associative pathway including HO(2)(ads) formation is the main pathway on Pt(111), and that the rate determining step (RDS) is the removal step of O(ads) on Pt(111). This RDS is accelerated on several highly active Pt alloys and core-shell surfaces, and this acceleration decreases the reaction intermediate O(ads). The increase in the partial pressure of O(2)(g) increases the surface coverage with O(ads) and OH(ads), and this coverage increase reduces the apparent reaction order with respect to the partial pressure to less than unity. This model shows details on how the reaction pathway, RDS, surface coverages, Tafel slope, reaction order and material-dependent activity are interrelated. 相似文献
112.
Ko-Ki Kunimoto Kouji Kimura Takatomo Takai Hitoshi Senda Motoo Shiro Akio Kuwae 《光谱学快报》2013,46(4):509-522
Two polymorphic forms (I and II) of 4-fluorophenylpyruvic acid (F-PPA) were obtained by crystallization from different solvents, showing a melting point at 163.2 and 171.0 °C. Crystal structures of polymorphs I and II were determined by X-ray crystallography. IR and Raman spectra of the two polymorphs were measured and the spectral characteristics were compared with those of phenylpyruvic acid. the two polymorphs show similar molecular and crystal structures to each other, except for the molecular geometries of the enol and the carboxylic acid moieties. Distinct IR spectral differences which result from the crystal field splitting were observed between the two polymorphs. 相似文献
113.
A surface preparation method with fine SiO2 particles in water is developed to flatten Si(0 0 1) surfaces on the nanometer scale. The flattening performance of Si(0 0 1) surfaces after the surface preparation method is investigated by scanning tunneling microscopy. The observed surface is so flat that 95% of the view area (100 × 100 nm2) is composed of only three atomic layers, namely, one dominant layer occupying 50% of the entire area and two adjacent layers. Furthermore, a magnified image shows the outermost Si atoms regularly distributed along the 〈1 1 0〉 direction on terraces. 相似文献
114.
115.
The optically active (R)- and (S)-flavanones were prepared by an enzymatically enantioselective hydrolysis of (±)-flavanone oxime O-acylates employing lipases, followed by hydrolysis with acid. 相似文献
116.
Osamu Yamashita Kouji Satou Hirotaka Odahara Shoichi Tomiyoshi 《Journal of Physics and Chemistry of Solids》2005,66(7):1287-1293
The p-type (Bi0.25Sb0.75)2Te3 doped with 3-12 wt% excess Te alone and n-type Bi2(Te0.94Se0.06)3 codoped with 0.017-0.026 wt% Te and 0.068-0.102 wt% I were prepared by the Bridgman method, to produce intentionally polycrystalline. Some of the as-grown specimens were annealed, in order to prepare specimens with much different ρ. These polycrystalline specimens have almost the same degree of alignment of the c plane parallel to the freezing direction. The electrical rersistivity ρ and thermal conductivity κ were measured at 298 K along the freezing direction and κ was plotted as a function of ρ. As a result, the lattice components κph obtained by subtracting the electronic component κel from the observed κ were found to decrease almost linearly with a decrease of ρ in both p- and n-type specimens, where κel was calculated using Wiedemann-Franz law. This tendency is consistent with the conventional result that κph becomes negligible small in metals. The significant decrease in κph with decrease in ρ is considered to be caused predominantly by the phonon scattering due to dopants. The relationship between κph and ρ was first clarified in the intermediate region between the metal and insulator. 相似文献
117.
Cationic iron complexes are effective catalysts for intramolecular hydroalkoxylation for unactivated olefins under mild conditions to form the corresponding cyclic ethers in excellent yield. 相似文献
118.
Summary We consider the stationary Navier-Stokes equations in a certain type of semi-infinite channel under the general outflow condition.
Assuming that the domain and the data are symmetric with respect to a straight line, the axis of symmetry, and that the axis
intersects every component of the boundary, we show the existence of solutions and certain regularity properties of the solutions.
Sunto In questo lavoro consideriamo le equazioni di Navier-Stokes stazionarie in un certo tipo di canali semi-infiniti sotto la condizione generale di outflow. Assumendo che sia il dominio sia i dati siano simmetrici rispetto ad una retta, l’asse di simmetria, e che questa retta intersechi ogni componente del bordo, mostriamo esistenza di soluzioni ed alcune proprietà di regolarità delle stesse.相似文献
119.
Tohru Morimoto 《Differential Geometry and its Applications》2008,26(1):75-78
For each subriemannian manifold of constant subriemannian symbol we construct a Cartan connection canonically associated with this structure. 相似文献
120.