Band Assignment in Ultraviolet Photoelectron Spectroscopy

A review of photoelectron spectroscopy, [1], a book containing a great number of experimental results [2], and the proceedings of an international conference [3] have appeared recently.     

Reflection-Absorption Infrared Spectroscopy Study of Polyacrylonitrile on Copper at Elevated Temperature

Reflection-absorption infrared spectroscopy (RAIR) has been used to investigate the chemical structural changes in Polyacrylonitrile (PAN) film adsorbed on copper at 200°C for different time. The formation of an almost fully conjugated C-C=C backbone occurs after heating for only 2 h due to the catalytic effect of copper. The freely dangling cyano groups in PAN molecules initially coordinate to copper surface through the triple bond in π-bonded orientation, then convert to [sgrave]-bonding through the donation of the lone pair of electrons of nitrogen. It is suggested that this transition of the types of coordination would relate to the different geometries of PAN on copper during heating. Since the nitrile complexing and cyclization occur at the same time, the reaction process for the pyrolysis of PAN on copper surface is different from that in the bulk.     

基于吸收光谱原理的高温水汽浓度测量方法研究

可调谐半导体激光吸收光谱(tunable diode laser absorption spectroscopy,简称为TDLAS)技术具有高灵敏度、快速响应、非接触式、环境适应性强等优点,能够实现燃烧温度、组分浓度、速度等参量的实时动态在线测量。为准确测量高温下的水汽浓度,采用窄带半导体激光器作为光源,结合实验室的高温测量系统,记录了常压下1.39μm附近水汽在773~1 273K温度范围内的吸收光谱,利用多线组合非线性最小二乘法拟合得到高温吸收光谱的吸光度,找出了两条适合高温水汽浓度测量的吸收线7 154.35和7 157.73cm-1,首次提出高温水汽浓度测量的模型求解方法,该方法测得的高温下水汽浓度符合理论推理,浓度测量的标准误差低于0.2%,相对误差低于6%。通过实验验证了该测量方法的可行性。     

有机锡化合物的光电子能谱研究

本文研究了五种有机锡化合物的光电子能谱图，讨论了影响锡原子内层ｄ轨道电子结合能化学位移的几种因素，比如，取代基的影响，基团电负性的影响。     

超薄原子蒸汽的透射与反射光谱

通过数值分析研究了超薄气体的透射与反射光谱特性与其厚度大小的树应关系。研究表明,透射光谱随薄膜厚度的增大而展宽,光谱呈现对称性,而在反射的情况下,这一对称性由薄膜厚度为1／4波长的奇数或偶数倍决定。     

X-ray Photoelectron Spectroscopy of Sb2S3 Crystals

The paper presents the X-ray photoelectron spectra (XPS) of the valence band and core levels of semiconductor ferroelectric Sb₂S₃ single crystals, which show weak phase transitions and anomalies of various physical properties. The XPS were measured with monochromatized Al K _α radiation in the energy range 0-1450 eV and the temperature range 160-450 K. The valence band is located 0.8-7.5 eV below the Fermi level. Experimental results of the valence band and core levels are compared with the results of theoretical ab initio calculations of the molecular model of Sb₂S₃ crystal. The chemical shifts in Sb₂S₃ crystal for the Sb and S states are obtained. Results revealed that the small structural rearrangements at the phase transition T _c1 = 300 K shift the Fermi level and all electronic spectrum. Also, temperature dependence of a spontaneous polarisation shifts the electronic spectra of the valence band and core levels. Specific temperature-dependent excitations in Sb 3d core levels are also revealed.     

X射线光电子能谱在炼油催化剂中的应用

X射线光电子能谱(XPS)能给出固体材料表面元素的定性、定量和化学态信息,是炼油催化剂最重要的表征手段之一。对XPS在加氢催化剂、超深度脱硫吸附剂、稀土改性Y型分子筛等典型炼油催化剂研究中的应用作了阐述和举例说明。对Mo(W)-Co(Ni)/Al₂O₃(SiO₂)型硫化态加氢剂,阐述了其无水无氧转移方法;总结了S(2p),Mo(3d),W(4f),Co(2p)和Ni(2p) XPS谱的识别、分峰拟合方法及各元素的典型化学态,从而获得活性金属的硫化度及催化剂硫化不完全原因。对S Zorb超深度脱硫吸附剂,介绍了利用XPS激发的ZnLMM俄歇峰获得Zn存在形式的方法,并研究了吸附剂的破碎机理和失活原因;通过XPS和氩离子刻蚀XPS研究了S元素在吸附剂表面及其随深度的分布情况;利用原位XPS研究了待生剂中含S和含Ni物种在临氢条件下的转化行为,为吸附剂再生条件的选择提供支持。对铈离子改性Y分子筛,通过分析XPS定量结果和Ce(3d)化学态研究了铈离子在改性Y分子筛中笼内外的存在情况,结果表明液相法比固相法利于铈离子向分子筛内迁移。     

ZrO-双原子阴离子的光电子成像谱

利用激光溅射制备了ZrO^-双原子阴离子,测量了其光电子成像谱．实验观测到的光电子能谱可以在光学光谱和高精度从头计算的基础上得到很好的归属．ZrO^-的基态确定为²△态,其自旋-轨道分裂能为578±12 cm^-1,ZrO的电子亲和能测定为1.249±0.005 eV．第一次在实验上观测到ZrO的c³∑^-激发态,其相对于X¹∑⁺基态的能量为13316±24 cm^-1,同时还对ZrO与其等电子体NbN的电子结构进行了比较．     

Second International Workshop on Ambient Pressure X-ray Photoelectron Spectroscopy

The Second International Workshop on Ambient Pressure X-ray Photoelectron Spectroscopy (APXPS) was held at Lawrence Berkeley National Laboratory (LBNL) in Berkeley, CA, from December 7–9, 2015. It brought together more than 100 participants from 17 countries. The workshop followed the inaugural meeting at the French synchrotron SOLEIL in December 2014, which was organized by François Rochet. The strong interest in these workshops reflects the growth of the APXPS community over the last decade, with instruments now operational at more than 12 synchrotrons around the world (see SRN, Vol. 27, No. 2, pp. 14–23 (2014)), and a steady increase in the number of laboratory instruments. APXPS has established itself as an important method for the investigation of surfaces and interfaces under in situ and operando conditions, including liquid/vapor and liquid/solid interfaces.     

Iron-Alloyed Vanadium Dioxide Analysis Using X-Ray Photoelectron Spectroscopy Technique

Russian Physics Journal - The paper presents the qualitative and quantitative elemental analysis of V0.93Fe0.07O2 compound powder performed by the X-ray photoelectron spectroscopy (XPS) technique....     

Photoelectron Spectroscopy, Photoionization Mass Spectroscopy, and Theoretical Study on CCl3SSCN

通过一种简单的方式产生了CCl3SSCN,并利用光电子能谱(PES)和光电离质谱(PIMS)对该化合物进行了表征．通过理论计算得知, 该分子围绕S－S键的二面角为91.4 o ． 这种扭曲结构是S－S键上的孤对电子的相互作用导致的．电离后基态的自由基离子CCl3SSCN￠+呈平面的反式构象(δCSSC=180o),且具有Cs对称性．CCl3SSCN分子的最高占据轨道(HOMO)为硫原子的3p孤对电子轨道：3pπf51a(nS(CCl3S))g-1. 实验得到的该分子的第一垂直电离能为10.40 eV．     

The Bonding of Dibenzyldithiocarbamate Metal Complexes by X-Ray Photoelectron Spectroscopy

Core orbital binding energies for N 1s and S 2p_3/2, in the metal chelates of dibenzyldithiocarbamic acid M(DBDTC)_n for n=2, M=Cu(II) and Zn(II), and for n=3, M=Bi(III), have been measured using x-ray photoelectron spectroscopy. The nature of the spectral peaks and the core binding energies indicates that the nitrogen atom in the DBDTC is not intramolecularly bound with the metal as had been previously suggested. The relatively high binding energies for the N 1s orbitals indicate planar geometry for the ligands, and the form to reasonably represent their structure, which agrees with previous infrared studies.     

An X-ray Photoelectron Spectroscopy Study of Zinc Stannate Layer Formation

Technical Physics - The formation of zinc stannate nanostructures, which are of interest for sensorics, solar power, and transparent conductive electronics, has been considered. The structures have...     

高分辨率初始光电子能谱由真空紫外激光速度——映射图像的方法

通过采用真空紫外(VUV)激光速度-地图成像-TPE(真空紫外VMI-TPE)方法获得了高分辨率初始光电子(TPE)氯苯(C₆H₅Cl(X¹A₁))的光谱,炔丙基自由基(C₃H₃(X²B₁))和烯丙基(C₃H₅(X²A₁)). 观察到的真空紫外VMI-TPE方法的光电子能量分辨率在1~2 cm^-1,可以和在真空紫外激光脉冲场电离光电子(VUV-PFI-PE)的测量媲美. 类似真空紫外PFI-PE测量,真空紫外VMI-光电子(真空紫外VMI-PE)和真空紫外VMI-TPE测量能量分辨率依赖于直流电场在光电离区加速电子. C₆H₅Cl和C₃H₃的电离初始值的降低为F的函数表示Stark偏移校正为VUV-VMI-TPE测量由-3.1√F管辖,这是半经典预测值-6.1√F的一半. 我们还测量C₆H₅Cl和C₃H₅的真空紫外光能量的真空紫外VMI-PE谱接近其电离初始值. 在VUV-VMI-PE测量中观察到的C₃H₅⁺阳离子振动谱和振动级数,nv₇⁺(n=0~3). 真空紫外VMI-TPE可以实现更高的实验灵敏度和类似真空紫外PFI-PE测量的能量分辨率,使真空紫外VMI-TPE法成为高分辨率真空紫外PFI-PE测量一个很好的替代.     

有机锡化合物的光电子能谱和质谱研究Ⅲ

本文利用光电子能谱（ＸＰＳ）和质谱（ＭＳ）研究了１２种有机锡化合物。通过ＸＰＳ和ＭＳ讨论了化合物中取代基对锡内层电子的影响及对ＳｎＯ键的影响。结果表明ＸＰＳ和ＭＳ对有机锡化合物某些化学键性质的讨论具有互补性。     

电子能谱法研究改性的聚丙烯纤维性能与结构关系

本文讨论了聚丙烯纤维(PPF)在Ar、N_2、O_2和空气等离子体作用时,改变时间和功率对PPF表面进行等离子体处理,发现处理后纤维的吸湿性变化很大,回潮率是未处理样品的120-400%,染色性能从5级提高到1级标准。这一变化的光电子能谱法研究结果表明:PPF表面的结构发生较大变化。表面大量引入含O、N极性基团。经谱图拟合可知,这些基团是亲水性的极性结构,应归属于C-OH、C=O、COOH、C-NH_2和CONH_2基团。     

DOO-自由基光电子能谱的Franck-Condon分析

运用从头算方法优化了DOO基态 、第一激发态 及其负离子DOO-基态 的几何结构,并进行了频率分析. 且对 − 和 - 电子脱附过程进行了Franck–Condon分析和光谱模拟,得到的拟合光谱和实验谱吻合的非常好,通过光谱拟合确定了负离子DOO-基态和中性DOO第一激发态的几何结构.此外,还得到了DOO的电子亲和能和谱项能.     

X-Ray Photoelectron Spectroscopy of Nanodiamonds Obtained by Grinding and Detonation Synthesis

Technical Physics - The initial composition and chemical state of nanopowder primary particles obtained by grinding natural diamond and detonation synthesis have been studied by X-ray photoelectron...