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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.
33.
In this paper, the influence functions and limiting distributions of the canonical correlations and coefficients based on affine equivariant scatter matrices are developed for elliptically symmetric distributions. General formulas for limiting variances and covariances of the canonical correlations and canonical vectors based on scatter matrices are obtained. Also the use of the so-called shape matrices in canonical analysis is investigated. The scatter and shape matrices based on the affine equivariant Sign Covariance Matrix as well as the Tyler's shape matrix serve as examples. Their finite sample and limiting efficiencies are compared to those of the Minimum Covariance Determinant estimators and S-estimator through theoretical and simulation studies. The theory is illustrated by an example. 相似文献
34.
We consider normal ≡ Gaussian seemingly unrelated regressions (SUR) with incomplete data (ID). Imposing a natural minimal set of conditional independence constraints, we find a restricted SUR/ID model whose likelihood function and parameter space factor into the product of the likelihood functions and the parameter spaces of standard complete data multivariate analysis of variance models. Hence, the restricted model has a unimodal likelihood and permits explicit likelihood inference. In the development of our methodology, we review and extend existing results for complete data SUR models and the multivariate ID problem. 相似文献
35.
The moduli space of torus sextics with the configuration of singularities {A2+A5+2E6} has two connected components. We compute the fundamental groups π1(CP2−C) for sextics C in both components and study their differences. 相似文献
36.
Let T and S be invertible measure preserving transformations of a probability measure space (X, ℬ, μ). We prove that if the group generated by T and S is nilpotent, then exists in L
2-norm for any u, v∈L
∞(X, ℬ, μ). We also show that for A∈ℬ with μ(A)>0 one has . By the way of contrast, we bring examples showing that if measure preserving transformations T, S generate a solvable group, then (i) the above limits do not have to exist; (ii) the double recurrence property fails, that
is, for some A∈ℬ, μ(A)>0, one may have μ(A∩T
-n
A∩S
-
n
A)=0 for all n∈ℕ. Finally, we show that when T and S generate a nilpotent group of class ≤c, in L
2(X) for all u, v∈L
∞(X) if and only if T×S is ergodic on X×X and the group generated by T
-1
S, T
-2
S
2,..., T
-c
S
c
acts ergodically on X.
Oblatum 19-V-2000 & 5-VII-2001?Published online: 12 October 2001 相似文献
37.
A. M. Vinogradov 《Acta Appl Math》1989,15(1-2):3-21
The main notions and results which are necessary for finding higher symmetries and conservation laws for general systems of partial differential equations are given. These constitute the starting point for the subsequent papers of this volume. Some problems are also discussed. 相似文献
38.
Yevhen Zelenyuk 《Topology and its Applications》2006,153(14):2382-2385
We introduce the notion of a partially selective ultrafilter and prove that (a) if G is an extremally disconnected topological group and p is a converging nonprincipal ultrafilter on G containing a countable discrete subset, then p is partially selective, and (b) the existence of a nonprincipal partially selective ultrafilter on a countable set implies the existence of a P-point in ω∗. Thus it is consistent with ZFC that there is no extremally disconnected topological group containing a countable discrete nonclosed subset. 相似文献
39.
Francis Jordan 《Topology and its Applications》2006,153(14):2386-2412
An abstract scheme using particular types of relations on filters leads to general unifying results on stability under supremum and product of local topological properties. We present applications for Fréchetness, strong Fréchetness, countable tightness and countable fan-tightness, some of which recover or refine classical results, some of which are new. The reader may find other applications as well. 相似文献
40.
Saida Sultanic 《Integral Equations and Operator Theory》2006,55(4):573-595
The central question of this paper is the one of finding the right analogue of the Commutant Lifting Theorem for the Bergman
space La2. We also analyze the analogous problem for weighted Bergman spaces La,α2, − 1 < α < ∞. 相似文献