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1.
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
2.
Knut Smoczyk 《Mathematische Zeitschrift》2002,240(4):849-883
We prove that symplectic maps between Riemann surfaces L, M of constant, nonpositive and equal curvature converge to minimal symplectic maps, if the Lagrangian angle for the corresponding Lagrangian submanifold in the cross product space satisfies . If one considers a 4-dimensional K?hler-Einstein manifold of nonpositive scalar curvature that admits two complex structures J, K which commute and assumes that is a compact oriented Lagrangian submanifold w.r.t. J such that the K?hler form w.r.t.K restricted to L is positive and , then L converges under the mean curvature flow to a minimal Lagrangian submanifold which is calibrated w.r.t. .
Received: 11 April 2001 / Published online: 29 April 2002 相似文献
3.
In this paper we give a realization of some symmetric space G/K as a closed submanifold P of G. We also give several equivalent representations of the submanifold P. Some properties of the set gK∩P are also discussed, where gK is a coset space in G. 相似文献
4.
J. Carlos Díaz-Ramos Ramón Vázquez-Lorenzo 《Differential Geometry and its Applications》2006,24(4):433-442
Explicit examples of Osserman 4-manifolds with exactly two distinct eigenvalues of the Jacobi operators, α and β=4α≠0, are given. The former has multiplicity two and is a double root of the minimal polynomial of the Jacobi operators. 相似文献
5.
J. Kudrna I. Pelant J. Štěpánek F. Trojánek P. Malý 《Applied Physics A: Materials Science & Processing》2002,74(2):253-256
We have studied ultra-fast carrier dynamics of photo-excited carriers in hydrogenated microcrystalline silicon prepared by
a very high frequency glow-discharge technique. We report on direct observation of two types of dynamics using selective photo-excitation
in picosecond pump and probe measurements. One type of the observed dynamics has been found to be independent of the sample
preparation, while the other reflects the relative weights of crystalline and amorphous fractions. We propose a simple rate-equation
model that describes the carrier dynamics in microcrystalline silicon in terms of the composition of those in Si microcrystallites
and in the a-Si:H tissue which surrounds the microcrystallites. The model without any fitting parameters reproduces the experimental
data very well when the dynamics are scaled with relative volume fractions as obtained from Raman spectra.
Received: 23 November 2000 / Accepted: 17 March 2001 / Published online: 23 May 2001 相似文献
6.
7.
Faisal A.A. El-Orany 《Optics Communications》2006,263(2):235-238
We prove that the revival-collapse phenomenon occurring in the atomic inversion of the two-photon Jaynes-Cummings model, when the mode is initially prepared in the coherent state and the atom is in the excited state, can be obtained from the evolution of the quadrature squeezing of the four-photon Jaynes-Cummings model. 相似文献
8.
Nicolas Bergeron 《Mathematische Zeitschrift》2002,241(1):101-125
Let M be an arithmetic hyperbolic manifold and be a codimension 1 geodesic cycle. In this paper, we study the asymptotic growth of the -norm of the lifts of F in the congruence tower above M. We obtain an explicit value for the growth rate of this norm. In particular, we provide a new proof of a celebrated result
of Millson [Mi] on the homology of the arithmetic hyperbolic manifolds. The method is quite general and gives a new way of
getting non zero homology classes in certain locally symmetric spaces.
Received: 20 April 2001; in final form: 26 September 2001 / Published online: 28 February 2002 相似文献
9.
Let M be a Riemannian m-dimensional manifold with m ≥ 3, endowed with non zero parallel p-form. We prove that there is no minimal isometric immersions of M in a Riemannian manifold N with constant strictly negative sectional curvature. Next we show that, under the conform flatness of the manifold N and some assumptions on the Ricci curvature of N, there is no α-pluriharmonic isometric immersion. 相似文献
10.
A. Khrennikov 《Annalen der Physik》2003,12(10):575-585
We study the probabilistic consequences of the choice of the basic number field in the quantum formalism. We demonstrate that by choosing a number field for a linear space representation of quantum model it is possible to describe various interference phenomena. We analyse interference of probabilistic alternatives induced by real, complex, hyperbolic (Clifford) and p‐adic representations. 相似文献