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.     

不同方法制备的硫化态K—Co—Mo催化剂的EXAFS研究

采用共沉淀法和溶胶－凝胶法制备了同组分的硫化态K－Co-Mo催化剂,并用EXAFS研究了体系中Mo原子和Co原子的局域配位情况,结果表明,硫化态K-Co-Mo样品中Mo原子以类似于MoS2结构的物种存在,而Co原子除了以Co9S8形式存在外,还以一种Co-Mo-S相的形式存在,Co-Mo-S的晶相结构与MoS2类似,结合活性测试 结果认为Co-Mo－S的形成促进了样品催化活性的提高,此外,EXAFS结果还表明,不同制备方法对K－Co-Mo样品中Mo物种晶粒尺寸具有较大的影响,而对Co9S8粒子则影响不明显,其中,采用溶胶－凝胶方法制备,并且在氩气中处理过的样品中Mo物种具有最小的晶粒尺寸。     

多核钨原子簇的结构解析

利用ＥＸＡＦＳ结合ＩＲ等技术对５种含钨原子的多核原子簇的结构进行了研究．提出了一种在原子簇中的吸收原子有不同配位环境时的处理方法．依据表观配位数Ｎｊ′与原子簇中吸收原子总数的乘积即为各种吸收原子数与它真实的配位数Ｎｐｊ乘积之和的原则进行处理．用此法处理了２个样品     

Speciation of iron in atmospheric particulate matter by EXAFS

In the atmospheric particulate matter (PM), fractions with a particle size of less than 10 μm (PM10) or evenless than 2.5 μm (PM2.5) in aerodynamic diameter can be inhaled into human body and cause serious health problems[1,2]. The influence of the PM on health is not only related to elemental concentrations, but also to its chemical speciation. The study on elemental speciation in atmospheric PM is significant for evaluating toxicity of PM and providing information about the formation a…     

Cr-MCM-41分子筛的合成、 表征及其催化性能[HT][HT4F]

合成了一系列掺杂Cr的MCM-41分子筛， 并用XRD, IR和EXAFS等手段表征了催化剂. 实验结果表明， 一部分Cr离子进入到MCM-41骨架， 另一部分Cr离子以其他Cr化合物形式存在且这部分铬可通过NH₄Ac溶液洗去. Cr-MCM-41和Cr-MCM-41-t催化剂在十八醇选择 氧化反应的几个循环中表现了稳定的十八醇转化率和十八酸选择性.     

Modes of occurrence of arsenic in high-arsenic coal by extended X-ray absorption fine structure spectroscopy

The concentration ranges of As and Sb in six Late Permian high-arsenic coals collected from Xingren and Xingyi, Guizhou Province are 94.1 μg·g -1-3 2 and 8 1 μg·g -1-120 μg·g -1, respectively. Based on the mineralogical analysis, no arsenic and arsenic-bearing minerals are detected in these samples and arsenic occurs in coal macerals. By extended X-ray absorption fine structure(EXAFS) spectroscopy, we have found that arsenic in these high-arsenic coal samples coordinates with oxygen; the coordination number of As with oxygen for these samples is 4 except one sample(H-9) for which the coordination number of As is 3. Therefore, arsenic in these high-arsenic coals does not occur in sulfide minerals, but occurs in arsenate or arsenite phase, and the preponderance of As is in arsenate of As 5+.