铕掺杂BaPbO_3微粉的研制及X光子吸收性能

通过固相反应合成了稀土掺杂BaPbO3微粉BaPb1-2xEu2xO3-xδx用XRD等方法确定了其结构为畸变钙钛矿型，Ph。

Geometric and Electronic Structures of Pyrazine Molecule Chemisorbed on Si(100) Surface by XPS and NEXAFS Spectroscopy

The geometric and electronic structures of several possible adsorption configurations of the pyrazine(C4H4N2)molecule covalently attached to Si(100)surface,which is of vital importance in fabricating functional nano-devices,have been investigated using X-ray spectroscopies.The Carbon K-shell(1s)X-ray photoelectron spectroscopy(XPS)and near-edge X-ray absorption fine structure(NEXAFS)spectroscopy of predicted adsorbed structures have been simulated by density functional theory with cluster model calculations.Both XPS and NEXAFS spectra demonstrate the structural dependence on different adsorption configurations.In contrast to the XPS spectra,it is found that the NEXAFS spectra exhibiting conspicuous dependence on the structures of all the studied pyrazine/Si(100)systems can be well utilized for structural identification.In addition,according to the classification of carbon atoms,the spectral components of carbon atoms in different chemical environments have been investigated in the NEXAFS spectra as well.

Prediction of XRF analyzers error for elements on-line assaying using Kalman Filter

Determination of chemical elements assay plays an important role in mineral processing operations.This factor is used to control process accuracy,recovery calculation and plant profitability.The new assaying methods including chemical methods,X-ray fluorescence and atomic absorption spectrometry are advanced and accurate.However,in some applications,such as on-line assaying process,high accuracy is required.In this paper,an algorithm based on Kalman Filter is presented to predict on-line XRF errors.This research has been carried out on the basis of based the industrial real data collection for evaluating the performance of the presented algorithm.The measurements and analysis for this study were conducted at the Sarcheshmeh Copper Concentrator Plant located in Iran.The quality of the obtained results was very satisfied;so that the RMS errors of prediction obtained for Cu and Mo grade assaying errors in rougher feed were less than 0.039 and 0.002 and in final flotation concentration less than 0.58 and 0.074,respectively.The results indicate that the mentioned method is quite accurate to reduce the on-line XRF errors measurement.

Isolation of Pd atoms by Cu for semi-hydrogenation of acetylene: Effects of Cu loading

Cu‐alloyed Pd single‐atom catalysts exhibit excellent catalytic performance for the semi‐hydrogenation of acetylene;however,the limit of the Cu/Pd atomic ratio for forming the alloyed Pd single‐atom catalyst is ambiguous.Herein,silica‐supported Cu-Pd bimetallic catalysts with fixed Pd content and varied Cu loadings were synthesized using an incipient wetness co‐impregnation method.The X‐ray absorption spectroscopy results indicated that Pd formed an alloy with Cu after reduction at250°C and that the Pd atoms were completely isolated by Cu for Cu/Pd atomic ratios≥40/1.Notably,increasing the reduction temperature from250to400°C hardly affected the catalytic performances of the Cu-Pd/SiO2catalysts.This finding can be attributed to the similar chemical environments of Pd demonstrated by the X‐ray absorption spectroscopy results.

Nitrogen-doped graphene supported Pd@PdO core- shell clusters for C-C coupling reactions

The introduction of nitrogen significantly decreases the metal particle size and improves the performance of metal-based graphene-supported catalysts. In this work, the density functional theory is used to understand the interaction between nitrogen-doped graphene and Pd@PdO clusters. Experiments show that small size Pd@PdO clusters （1-2 nm） can be grown uniformly on nitrogen-doped graphene sheets by a facile oxidation-reduction method. The nanoscale interaction relationship between nitrogen-doped graphene and Pd@PdO clusters is investigated through X-ray photoelectron spectroscopy （XPS） and X-ray absorption spectra （XAS）. The composite catalysts are applied in Suzuki-Miyaura reactions giving high yields and good structural stability. These results have potential impact in design and optimization of future high performance catalyst materials for cross coupling reactions.

Size-controlled chalcopyrite CuInS_2 nanocrystals:One-pot synthesis and optical characterization

Chalcopyrite ternary CulnS2 semiconductor nanocry stals have been synthesized via a facile one-pot chemical approach by using oleylamine and oleic acid as solvents. The as-prepared CuInS2 nanocrystals have been characterized by instrumental analyses such as X-ray diffraction （XRD）, X-ray photoelectron spectroscopy （XPS）, transmission electron microscopy （TEM）/high-resolution TEM （HRTEM）, energy-dispersive X-ray spectroscopy （EDS）, UV-vis absorption spectroscopy （UV-vis） and photoluminescence （PL） spectroscopy. The particle sizes of the CuInS2 nanocrystals could be tuned from 2 to 10 nm by simply varying reaction conditions. Oleylamine, which acted as both a reductant and an effective capping agent, plays an important role in the size-controlled synthesis of CulnS2 nanocrystals. Based on a series of comparative experiments under different reaction conditions, the probable formation mechanism of CulnS2 nanocrystals has been proposed. Furthermore, the UV-vis absorption and PL emission spectra of the chalcopyrite CulnS2 nanocrystals have been found to be adjustable in the range of 527-815 nm and 625-800 rim, respectively, indicating their potential application in photovoltaic devices.

Engineering the heterogeneous interfaces of inverse opals to boost charge transfer for efficient solar water splitting

Herein,we report a three-dimensional porous TiO_(2)/Fe_(2)TiO_(5)/Fe_(2)O_(3)(TFF)inverse opal through in situ thermal solid reactions for photoelectrochemical water splitting.The Fe_(2)TiO_(5) interfacial layer within TFF acting as a bridge to tightly connect to TiO_(2) and Fe_(2)O_(3) reduces the interfacial charge transfer resistance,and suppresses the bulk carrier recombination.The optimized TFF displays a remarkable photocurrent density of 0.54mAcm^(-2) at 1.23V vs.reversible hydrogen electrode(RHE),which is 25 times higher than that of TiO_(2)/Fe_(2)O_(3)(TF)inverse opal(0.02mAcm^(-2) at 1.23V vs.RHE).The charge transfer rate in TFF inverse opal is 2-8 times higher than that of TF in the potential range of 0.7-1.5V vs.RHE.The effects of the Fe_(2)TiO_(5) interfacial layer are further revealed by X-ray absorption spectroscopy and intensity-modulated photocurrent spectroscopy.This work offers an interfacial engineering protocol to improve charge separation and transfer for efficient solar water splitting.