XPS研究负载型Cu2O和CuO纳米粒子中的界面和配体效应。,The Journal of Physical Chemistry B

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XPS研究负载型Cu2O和CuO纳米粒子中的界面和配体效应。
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2005 Apr 28 , DOI: 10.1021/jp0453055
J. Morales ₁ , J. P. Espinos ₁ , A. Caballero ₁ , A. R. Gonzalez-Elipe ₁ , Jose Antonio Mejias ₂

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本文报告了对沉积在二氧化硅上的氧化铜小颗粒中铜的光发射参数变化的分析。该研究与多相催化和配位化学领域的研究有关。通过蒸发铜并随后氧化沉积的颗粒，氧化铜（Cu2O和CuO）已沉积在平坦的SiO2基板表面上。XPS已用于分析铜的化学和配位状态。已经发现Cu 2p（3/2）结合能（BE）和俄歇参数（alpha'）的大变化是所沉积的氧化铜的类型和数量的函数。从最低沉积材料量和块状化合物的值计算出的BE差异为-0.4 eV（Cu2O）和-1.9 eV（CuO），而α'中的那些分别为2.9（Cu2O）和1.6 eV（CuO）。观察到的变化已根据Wagner图中的化学状态矢量（CSV）概念进行了描述，并通过考虑在给定的氧化物/氧化物界面处发生的键合和电子相互作用的特征进行了合理化。这些相互作用已通过量子力学计算与簇模型进行了建模，该簇模型模拟了界面处的Cu-O-Si键。对于支撑在SiO2衬底上的分散簇和散装形式的氧化铜材料，也已经估计了围绕铜阳离子的周围介质极化的影响。铜的alpha'和BE的值发生变化（即，delta alpha'= 1.1 eV，deltaBE = 0。1 eV）吸附在分散在苯基乙炔分子SiO2上的Cu2O部分的Cu +物种上后，说明了XPS用于研究异质体系中阳离子-配体络合物的形成。还已经通过量子力学计算和簇模型对这些配位的Cu +物种的键合相互作用进行了详细描述，这些相互作用是根据光发射过程的初始状态和最终状态效应进行的。

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XPS study of interface and ligand effects in supported Cu2O and CuO nanometric particles.

This paper reports an analysis of the changes in the photoemission parameters of copper in small particles of copper oxides deposited on silicon dioxide. This study is of relevance for investigations in the fields of heterogeneous catalysis and coordination chemistry. Copper oxides (Cu2O and CuO) have been deposited on the surface of a flat SiO2 substrate by evaporation of copper and subsequent oxidization of the deposited particles. XPS has been used to analyze the chemical and coordination state of copper. Large variations in the Cu 2p(3/2) binding energy (BE) and Auger parameter (alpha') have been found as a function of the type and amount of deposited copper oxide. The differences in BE calculated from the values of the lowest amount of deposited material and those of the bulk compounds were -0.4 eV (Cu2O) and -1.9 eV (CuO), while those in alpha' amounted to 2.9 (Cu2O) and 1.6 eV (CuO). The observed changes have been described in terms of the chemical state vector (CSV) concept in a Wagner plot and rationalized by considering the characteristics of bonding and electronic interactions that occur at a given oxide/oxide interface. These interactions have been modeled by means of quantum mechanical calculations with cluster models simulating the Cu-O-Si bonding at the interface. The effect of the polarization of the surrounding media around the copper cations has been also estimated for both the dispersed clusters supported on the SiO2 substrate and for the copper oxide materials in bulk form. A change in the values of alpha' and BE of copper (ie., delta alpha' = 1.1 eV, deltaBE = 0.1 eV) upon adsorption on the Cu+ species of Cu2O moieties dispersed on SiO2 of a phenyl-acetylene molecule illustrates the use of XPS to study the formation of cation-ligand complexes in heterogeneous systems. A detailed description of the bonding interactions of these coordinated Cu+ species in terms of initial and final state effects of the photoemission process has been also carried out by means of quantum mechanical calculations and cluster models.

更新日期：2017-01-31

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