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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:用亚稳撞击电子光谱(MIES)的吸附机制研究

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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:讨论了从氧化物表面(TiO_2,MgO)获得的亚稳态撞击电子光谱(MIES)光谱,暴露于金属原子(Mg; CS)。在过渡金属(Mo; W)和TiO_2-单晶的MgO膜(2nm厚)是浓糖作为基质。由AB Initio电子结构计算为指导,特别是对于K / TiO_2,Mg / MgO和Ag / MgO,可以鉴定在成核末期和金属簇/薄膜的初始阶段期间的几种机制:(1)化学吸附通过从金属吸附物中的电荷转移到氧化物(I型)中的未占用状态。对于碱/ TiO_2的情况,这导致Ti-阳离子的减少。 (2)氧化物阴离子O2P轨道与吸附物(II型)的S型轨道的杂交,如用于Mg / MgO的验证。对于mg / tio_2两个机制,i和ii,发挥作用。 (3)对于CS / TiO_2机制,我对更长的曝光进行了大部分重要性:相反,吸附是由于静电互动,浓缩的电子密度,浓缩在相邻金属染色剂和下面基底的表面离子之间(III型) 。

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