首页> 外文会议>NATO Advanced Research Workshop on Defects and Surface-Induced Effects in Advanced Perovskites Jurmala, Latvia 23-25 August 1999 >Metals on Metal Oxides: Study of Adsorption Mechanisms With the Metastable Impact Electron Spectroscopy (MIES)
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Metals on Metal Oxides: Study of Adsorption Mechanisms With the Metastable Impact Electron Spectroscopy (MIES)

机译:金属氧化物上的金属:亚稳冲击电子光谱法(MIES)的吸附机理研究

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The Metastable Impact Electron Spectroscopy (MIES) spectra obtained from oxide surfaces (TiO_2, MgO), exposed to metal atoms (Mg; Cs), are discussed. MgO-films (2nm thick) on transition metals (Mo;W) and TiO_2-single crystals were chosne as substrates. Guided by ab initio electronic structure calculations, in particular for K/TiO_2, Mg/MgO and Ag/MgO, several mechanisms important during the initial stage of the nucleation and the growth of metal clusters/films could be identified: (1) Chemisorption caused by charge transfer from the metal adsorbate into unoccupied states of the oxide (type I). For the case of alkali/TiO_2 this leads to the reduction of the Ti-cation. (2) Hybridization of the O2p-orbitals of the oxide anions with the s-valence orbitals of the adsorbate (type II), as verified for Mg/MgO. For Mg/TiO_2 both mechanisms, I and II, play a role. (3) For Cs/TiO_2 mechanisms I loses much of its importance for longer exposures: instead, adsorption is due to the electrostatic interactio nbetween the enhanced electron density, concentrated between adjacent metal adatoms, and surface ions of the underlying substrate (type III).
机译:讨论了从暴露于金属原子(Mg; Cs)的氧化物表面(TiO_2,MgO)获得的亚稳冲击电子光谱(MIES)。以过渡金属(Mo; W)和TiO_2单晶上的MgO膜(厚度为2nm)为衬底。遵循从头算电子结构的计算方法,尤其是对于K / TiO_2,Mg / MgO和Ag / MgO,可以确定在成核初期和金属簇/膜生长的重要机制:(1)引起化学吸附通过电荷从金属吸附物中转移到氧化物的未占据状态(I型)。对于碱/ TiO 2而言,这导致Ti阳离子的还原。 (2)氧化阴离子的O2p轨道与被吸附物的s价轨道(II型)杂交,如Mg / MgO所示。对于Mg / TiO_2,I和II均起作用。 (3)对于Cs / TiO_2机理,我对于较长时间的暴露失去了很多重要性:相反,吸附是由于增强的电子密度之间的静电相互作用(集中在相邻的金属原子之间)和下面基质的表面离子(III型)引起的。 。

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