纳米晶304不锈钢高温氧化膜中Cr和Mn元素的XPS和UPS表征

利用X射线光电子能谱（XPS）和紫外光电子能谱（UPS）,对比研究了普通304不锈钢（CP-SS304）和深度轧制技术制备的块体纳米晶304不锈钢（BN-SS304）在900 ℃空气中氧化24 h后形成的高温氧化膜中Cr和Mn元素的结合能、原子百分比、价电子的相互作用和功函数,分析了BN-SS304表面电子结构的特征。结果表明：两种材料氧化膜中Cr元素以Cr3+和Cr0存在,Mn元素以Mn4+和Mn0存在,在不同溅射时间,BN-SS304氧化膜中Cr3+与（Cr3++Cr0）原子百分比和Mn4+与（Mn4++Mn0）原子百分比均低于CP-SS304氧化膜中的比值。两种材料氧化膜中价电子之间的相互作用主要有Mn—O,Cr—O,Mn0(3d和4s)和Cr0(3d和4s)。与CP-SS304相比,BN-SS304氧化膜表面价电子之间的相互作用强,其功函数比CP-SS304提高0.07 eV, BN-SS304的耐高温氧化性能增强。     

He II spectra of La,Ce and Yb: Novel features in the valence band region

He II photoelectron spectra of La, Ce and Yb show features which cannot be explained in terms of single electron excitations. It is proposed that these are due to formation of electron-hole paris. Communication No. 227.     

XPS,UPS, and STM studies of nanostructured CuO films

A Cu₁O_1.7 oxide film containing a large amout of superstoichiometric oxygen was obtained by low-temperature oxidation of metallic copper in the oxygen plasma. An STM study of the film structure showed that ～10 nm planar copper oxide nanocrystallites with particles packed parallel to the starting metal surface. In an XPS study, the spectral characteristics of the Cu2p and O1s lines indicated that particles with a CuO lattice formed (E _bnd(Cu2p _3/2) = 933.3 eV and a shake-up satellite, E _bnd(O1s) = 529.3 eV). The additional superstoichiometric oxygen is localized at the sites of contact of nanoparticles in the interunit space and is characterized by a state with the binding energy E _bnd(O1s) = 531.2 eV. Due to the formation of a nanostructure in the films during low-temperature plasma oxidation, the resulting copper oxide has a much lower thermal stability than crystalline oxide CuO.     

The interaction of CO2 and CO with Fe‐doped SrTiO3(100) surfaces

The interaction of CO₂ and CO with 0.013 at.% Fe‐doped SrTiO₃(100) was investigated in situ with Metastable Induced Electron Spectroscopy (MIES) and XPS at room temperature. To clear up the influence of surface defects, cleaned and sputtered SrTiO₃ surfaces were investigated. Sputtering results in the breaking of Ti? O bonds in the surface and the formation of oxygen‐related defects as well as reduced titanium on the surface. Cleaned SrTiO₃ surfaces do neither interact with CO₂ nor with CO. Sputtered surfaces show a CO formation during CO₂ exposure and—to a lesser extent—during CO exposure. The CO groups can be detected very well with MIES because of its extreme surface sensitivity. With XPS, the characteristic carbonate peak shift of the C 1s orbitals can be detected. Copyright © 2011 John Wiley & Sons, Ltd.     

K/Ru(100)表面上的CO-4a_1轨道对称性确定

用同步辐射角分辨偏振紫外光电子谱对K/Ru( 10 10 )面上吸附的CO分子轨道的对称性测量发现 :结合能在 11.2eV的CO - 4a1( 4σ)分子轨道对s偏振光 (在沿〈12 10〉的入射面 )是禁戒的 .结果表明由于K的强烈影响 ,CO的分子轨道重新排列 (sp2 杂化 ) .依据选择定则和分子轨道的对称性说明 ,sp2 再杂化的CO分子吸附的桥位取向是 <12 10 >晶向     

杂氮硅三环类化合物的紫外光电子能谱及化学键的理论研究

报道了10种杂氮硅三环类化合物的紫外光电子能谱(UPS).采用RHF/3-21G^*对各化合物进行了构型优化.根据各化合物UPS的谱带特征结合RHF/6-31G^*的计算结果对谱图进行了合理的解析和指认.利用6-31G^*基组进行的电子密度拓扑分析表明,各化合物的N和Si原子间均存在键鞍点,从理论上证实了N和Si原子间存在成键作用.各化合物的UPS和SCFMO计算和电子密度拓扑分析都表明,在该类体系中σ_N→Si配键是比杂氮硼三环类化合物中σ_N→B配键弱得多的成键作用;文中同时讨论了不同取代基对Si和N间成键作用的影响.