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31.
本文用密度泛函理论(DFT)的总能计算研究了一氧化碳和氢原子在Ni(111)表面上p(2×2)共吸附系统的原子结构和电子态,结果表明CO和H原子分别被吸附于两个对角p(1×1)元胞的hcp和fcc位置.以氢分子和CO分子作为能量参考点,总吸附能为2.81 eV,相应的共吸附表面功函数φ为6.28 eV.计算得到的C—O,C—Ni和H—Ni的键长分别是1.19?, 1.96?和 1.71?,并且CO分子以C原子处于hcp的谷位与金属衬底原子结合.衬底Ni(111)的最外两层的晶面间距在吸附后的相对变化分别是
关键词:
Fisher-Tropsch反应
催化作用
Ni(111) p(2×2)/(CO+H)
共吸附 相似文献
32.
This paper reports that the growth of RuOx(110) thin layer growth on Ru(0001)
has been investigated by means of scanning tunnelling microscope (STM). The STM
images showed a domain structure with three rotational domains of RuOx(110)
rotated by an angle of 120℃.
The as-grown RuOx(110) thin layer is expanded from the bulk-truncated
RuOx(110) due to the large mismatch between RuOx(110) and the
Ru(0001) substrate. The results also indicate that growth of RuOx(110)
thin layer on the Ru(0001) substrate by oxidation tends first to formation
of the Ru-O (oxygen) chains in the [001] direction of RuOx(110). 相似文献
33.
就一般非完整约束系统,从约束方程满足的变分恒等式出发,利用增广位形流形上的向量场定义三类非自由变分,即非完整变分:vakonomic变分、Hlder变分、Suslov变分,并讨论它们之间的关系以及它们成为自由变分的充要条件.利用非完整变分以及相应的积分变分原理建立两类动力学方程:vakonomic方程和Routh方程或Chaplygin方程.通过vakonomic方程分别与Routh方程和Chaplygin方程比较,得到它们具有共同解的两类充分必要条件.这些条件并不是约束的可积性条件.
关键词:
非完整约束
非完整变分
Chetaev条件
vakonomic动力学 相似文献
34.
35.
A design of diode-pumped high-efficiency Nd:YVO4/LBO red laser is reported. Using critical phase-matching (CPM) LBO, 671 nm red laser was obtained from 1342 nm light by intracavity frequency doubling. With an incident pump laser of 800 mW, using type-I and type-II CPM LBO, 97 and 52 mWTEM00 mode red laser outputs were obtained, with optical-to-optical conversion efficiencies of up to 12.1% and 6.5%, respectively. 相似文献
36.
This paper reports that the m-plane GaN layer is grown on (200)-plane LiAlO2 substrate by metal-organic chemical wpour deposition (MOCVD) method. Tetragonal-shaped crystallites appear at the smooth surface. Raman measurement illuminates the compressive stress in the layer which is released with increasing the layer's thickness. The high transmittance (80%), sharp band edge and excitonic absorption peak show that the GaN layer has good optical quality. The donor acceptor pair emission peak located at -3.41 eV with full-width at half maximum of 120 meV and no yellow peaks in the photoluminescence spectra partially show that no Li incorporated into GaN layer from the LiAlO2 substrate. 相似文献
37.
Hongbo Zhang Rui Wang Kaixin Chen Han Yang Daming Zhang Maobin Yi Guoquan Wang Zhenchang Ma 《Optics & Laser Technology》2002,34(4):283-286
A new method, based on zero point of longitudinal electric field, was used to determine the spatial resolution of external electro-optic (EO) probing equipment. Considering the diffraction of Gauss beam, the result of external EO probing was simulated which was in accordance with the experiment. A spatial resolution <1 μm was demonstrated initially in our equipment using 650 nm laser diode as probe beam and semi-insulating GaP as probe tip. 相似文献
38.
Suppose μ is a Radon measure on ℝ
d
, which may be non doubling. The only condition assumed on μ is a growth condition, namely, there is a constant C0>0 such that for all x∈supp(μ) and r>0, μ(B(x, r))⪯C0rn, where 0<n⪯d. We prove T1 theorem for non doubling measures with weak kernel conditions. Our approach yields new results
for kernels satisfying weakened regularity conditions, while recovering previously known Tolsa’s results. We also prove T1
theorem for Besov spaces on nonhomogeneous spaces with weak kernel conditions given in [7]. 相似文献
39.
Myungjin Jeon Dongsoong Han Kyeongsu Park Gundon Choi 《Journal of Applied Mathematics and Computing》2005,18(1-2):235-246
We present an interpolating, univariate subdivision scheme which preserves the discrete curvature and tangent direction at each step of subdivision. Since the polygon have a geometric information of some original (in some sense) curve as a discrete curvature, we can expect that the limit curve has the same curvature at each vertex as the control polygon. We estimate the curvature bound of odd vertices and give an error estimate for restoring a curve from sampled vertices on curves. 相似文献
40.