Ni_(100-x)P_x合金的X射线谱学研究

利用X射线吸收精细结构(XAFS)和X射线衍射(XRD)研究了化学还原法制备的不同磷含量的Ni_(100-x)P_x合金的原子和电子结构.结果表明,当x=10时,磷元素的掺入导致了NiP样品中fcc结构的镍晶格扭曲和膨胀,Ni-Ni第一近邻配位的键长约增加0.03 A.随着磷含量的增加,膨胀和扭曲加剧,当x达到14左右时,样品的fcc-Ni晶格被完全破坏,从而形成非晶态NiP合金.X射线吸收近边结构(XANES)的结果表明,低磷含量(x≤10)时NiP样品的电子结构没有明显的变化,随着磷含量的增加,Ni4p态的分布变得宽化和越来越弥散.而当x达到26时,有大量电荷从Ni原子转移到P原子.     

同步辐射XANES方法对FeCl3 水溶液的研究

利用X 射线近边吸收谱学(X-ray Absorption Near Edge Structure, XANES)方法研究了不同浓度的FeCl₃ 水溶液中Fe³⁺离子的电子结构和近邻结构. 在不同浓度的FeCl₃ 水溶液的XANES 谱中, XANES 谱的形状随着FeCl₃ 浓度的不同而发生改变. 在XANES 谱的边前结构中观测到边前锋的分裂, 其分裂的能量差约为1.6 eV, 随着浓度的降低约有0.2 eV 的高能方向的位移, 此边前结构由1s-3d 轨道的电子跃迁引起, 双峰分裂来源于配位体配位引起的3d 轨道分裂. 随着FeCl₃ 浓度的改变, XANES 谱的主峰也发生变化, 此变化来源于溶液中Fe—Cl 配位与Fe—O 配位的比例变化. 另外, 利用量子化学计算的方法对于Fe³⁺与不同数目的H₂O 和Cl^?配位体络合时的构型进行了计算, 得到了Fe³⁺在水溶液中近邻结构的信息, 从另一方面解释了FeCl₃ 溶液中Fe³⁺离子3d 轨道分裂能的变化     

钙钛矿Ca1-xSrxTiO3(0≤x≤1)体系晶体结构的XAFS表征

Ca1-xSrxTiO3(0.0≤x≤1.0)体系在地质领域和材料领域的应用前景吸引了越来越多科学家们的关注.结合XANES(X射线近边吸收谱)定性分析和前三个壳层EXAFS(扩展X射线精细结构谱)定量拟合结果,本文探究了该体系随着Sr元素含量减少的晶体结构变化规律.     

XANES analysis of tribochemical and thermal films generating from some organic polysulfides

X-ray absorption near edge structure (XANES) spectroscopy has been firstly used to characterize the chemical nature of tribochemical and thermal films generated from alkyl, benzyl and acyl-containing organic polysulfides. It has been found that the thermal films generated from these polysulfides are mainly composed of FeSO4, and alkyl disulfides also exist in the subsurface and bulk of thermal films generated from acyl-containing polysulfides. Under tribochemical conditions, the composition of film is dependent on the molecular structure of the additives. Namely, the tribochemical film generated from alkyl polysulfide is composed of alkyl disulfide in the out surface, a mixture of FeSO4, FeS2 and sulfoxide in the subsurface, and FeSO4 in the bulk; the composition of the tribochemical film for benzyl polysulfide consists of FeSO4 in the out surface, while the composition in subsurface and bulk is the same as the alkyl polysulfide. For acyl-containing polysulfides, the tribochemical films consist of alkyl disulfide in the out surface, and FeS2 in the subsurface and bulk.     

Local Structure of Ge／SI（100） Self—Assembled Quantum Dots

Ｔｈｅｌａｔｔｉｃｅｍｉｓｍａｔｃｈｂｅｔｗｅｅｎｔｈｅｓｕｂｓｔｒａｔｅａｎｄｔｈｅｏｖｅｒｇｒｏｗｎｌａｙｅｒａｌｌｏｗｓｔｈｅｆｏｒｍａｔｉｏｎｏｆｓｅｌｆ ａｓ ｓｅｍｂｌｅｄｑｕａｎｔｕｍｄｏｔｓ (ＱＤｓ)ｔｈｒｏｕｇｈｔｈｅＳｔｒａｎｓｋｉ Ｋｒａｓｔａｎｏｖｍｅｃｈａｎｉｓｍ[1,2 ] .Ｔｈｉｓｔｅｃｈｎｉｑｕｅｈａｓｂｅｅｎｓｕｃｃｅｓｓｆｕｌｌｙａｐｐｌｉｅｄｔｏｖａｒｉｏｕｓｓｅｍｉｃｏｎｄｕｃｔｏｒｓｙｓｔｅｍｓ,ａｎｄｉｎｐａｒｔｉｃｕｌａｒｔｏＧｅ/Ｓｉｑｕａｎｔｕｍｄｏｔｓ(Ｑ…     

Tribological performance and chemistry of films for di-n-butyl dithiocarbamate derivatives in rapeseed oil

Two di-n-butyl dithiocarbamate derivatives were easily synthesized. Their tribological performances as lubricating oil additives in rapeseed oil were evaluated using a four-ball machine, and their chemistry of films was analyzed with X-ray absorption near-edge spectroscopy (XANES). The results indicate that the two compounds possess excellent anti-wear property and good load-carrying capacity. According to the XANES results, for the thermal films, the outer surfaces are mainly composed of N, S-containing polymer and ferric sulfate, and the near-surface and the bulk are composed of ferrous sulfate, while for the anti-wear films, the outer surfaces are only composed of ferric sulfate, but the near-surface and the bulk are mainly composed of ferrous sulfate.     

Structure and effect of diamagnetism on manganese lithium phosphate glass to cathode materials application

1-x(Li₂ O-2 P₂ O₅)-xMnO₂ glasses where x=0.2,0.3 and 0.4 mol%,respectively,were synthesized by meltedquenching method.The Mn and P oxidation states and local structures around Mn and P-ions including Mn-O and P-O bonding distances and coordination numbers have been studied via X-ray absorption near edge structure(XANES) and extended X-ray absorption fine structure(EXAFS),respectively.XANES results exhibit a coexistence of oxidation state of Mn²⁺     

X射线吸收谱在双金属纳米粒子结构研究中的应用

双金属纳米粒子具有尺寸、组成和结构可控的特点,在催化和材料领域具有广泛的应用.基于同步辐射的X射线吸收谱技术在双金属纳米粒子的结构研究中具有重要的作用.介绍了X射线吸收谱(XAS)的基本概念,并通过实例介绍了XAS在双金属纳米粒子结构研究中的具体应用.     

Crystal and electronic structure study of Mn doped wurtzite ZnO nanoparticles

The change in the crystal and electronic structure properties of wurtzite ZnO nanoparticles was studied according to Mn doping in the powder samples. The investigations were conducted by X-ray Absorption Fine Structure Spectroscopy (XAFS) technique for the samples prepared with different heating and doping processes. Electronic analysis was carried out by the collected data from the X-ray Absorption Near-Edge Structure Spectroscopy (XANES) measurements. Additional crystal structure properties were studied by Extended-XAFS (EXAFS) analysis. Longer heating periods for the undoped wurtzite ZnO samples were determined to own stable crystal geometries. However, for some doped samples, the distortions in the crystal were observed as a result of the low doping amounts of Mn which was treated as an impurity. Besides, the changes in oxygen locations were determined to create defects and distortions in the samples.