X-ray Powder Diffraction Data and Crystal Structure of NiSbY

X-ray powder diffraction data and crystal structure of NiSbY compound were studied by X-ray powderdiffraction. The compound belongs to the space group F43 m with MgAgAs structure type, and the parameters Z=4, a=0.63075(2) nm.

Crystal Structure and X-ray Powder Diffraction Data for Rare Earth Compound PrNiSn

The compound PrNiSn was studied by X ray powder diffraction technique. The crystal structure and the X ray diffraction data for this compound at room temperature were reported. The compound PrNiSn is orthorhombic with lattice parameters a =0.74569(3) nm, b =0.76851(5) nm, c =0.45676(8) nm, V =0.26176 nm 3, Z =4 and D x=8.076 g·cm -3 , space group Pna2 1(33). The figure of merit F N for the compound is F 30 =54 (0.0093, 60).

Unknown crystal structure determination from X-ray powder diffraction data

The crystal structure of new compound Ba 3BPO 7 has been solved by X ray powder diffraction technique. As a new structure type, the positions of barium, boron and phosphate atoms have been determined by single crystal direct method after profile decomposition from Ba 3BPO 7 X ray powder diffraction patterns. The positions of oxygen atoms have been determined by the interpretation of their vibration spectra which indicate that in this crystal the boron and phosphorus atoms form BO 3 and PO 4 polyhedra. The structure has been refined by Rietveld technique based on the above model.

Crystal Structure of a New Cembranolide Diterpene

A new cembranoide deterpene was isolated from the soft coral Sinularia Tenella . The crystal and chemical structure of the title compound were determined by means of spectroscopic methods and X ray diffraction analysis as ( 1R *,4R *,5S *,12S *,12R * ) 9 acetoxy cembr 8\%E\%,15(17) dien 16,4 olide. It shows a moderate cytotoxicity against P 388 and L 1210 cell lines.

Effect of Fe_2O_3 on the crystallization behavior of glass-ceramics produced from naturally cooled yellow phosphorus furnace slag

CaO–Al2O3–SiO2(CAS) glass-ceramics were prepared via a melting method using naturally cooled yellow phosphorus furnace slag as the main raw material. The effects of the addition of Fe2O3on the crystallization behavior and properties of the prepared glass-ceramics were studied by differential thermal analysis, X-ray diffraction, and scanning electron microscopy. The crystallization activation energy was calculated using the modified Johnson–Mehl–Avrami equation. The results show that the intrinsic nucleating agent in the yellow phosphorus furnace slag could effectively promote the crystallization of CAS. The crystallization activation energy first increased and then decreased with increasing amount of added Fe2O3. At 4wt% of added Fe2O3, the crystallization activation energy reached a maximum of 676.374 kJ·mol−1. The type of the main crystalline phase did not change with the amount of added Fe2O3. The primary and secondary crystalline phases were identified as wollastonite (CaSiO3) and hedenbergite (CaFe(Si2O6)), respectively. © 2017, University of Science and Technology Beijing and Springer-Verlag Berlin Heidelberg.

Electrochemical performance of a nickel-rich LiNi0.6Co0.2Mn0.2O2 cathode material for lithium-ion batteries under different cut-off voltages

A spherical-like Ni0.6Co0.2Mn0.2(OH)2precursor was tuned homogeneously to synthesize LiNi0.6Co0.2Mn0.2O2as a cathode material for lithium-ion batteries. The effects of calcination temperature on the crystal structure, morphology, and the electrochemical performance of the as-prepared LiNi0.6Co0.2Mn0.2O2were investigated in detail. The as-prepared material was characterized by X-ray diffraction, scanning electron microscopy, laser particle size analysis, charge–discharge tests, and cyclic voltammetry measurements. The results show that the spherical-like LiNi0.6Co0.2Mn0.2O2material obtained by calcination at 900°C displayed the most significant layered structure among samples calcined at various temperatures, with a particle size of approximately 10 μm. It delivered an initial discharge capacity of 189.2 mAh•g−1at 0.2C with a capacity retention of 94.0% after 100 cycles between 2.7 and 4.3 V. The as-prepared cathode material also exhibited good rate performance, with a discharge capacity of 119.6 mAh•g−1at 5C. Furthermore, within the cut-off voltage ranges from 2.7 to 4.3, 4.4, and 4.5 V, the initial discharge capacities of the calcined samples were 170.7, 180.9, and 192.8 mAh•g−1, respectively, at a rate of 1C. The corresponding retentions were 86.8%, 80.3%, and 74.4% after 200 cycles, respectively. © 2017, University of Science and Technology Beijing and Springer-Verlag Berlin Heidelberg.

Effects of Yttrium on the Microstructures and Interfaces in a Low Expansion Superalloy

The forms and structures of the phases in Fe-Ni-Co-Nb-Ti-Si low expansion superal-loys have been studied using analytical electron microscopy, high resolution electron microscopy, chemical phase analysis, X-ray diffraction, etc. The effects of yttrium on the microstructures and properties in the superalloys have also been investigated. The results reveal that trace yttrium mainly located in the platelet precipitates makes the crystal structure changed. The platelet precipitates become smaller, denser and rather homogeneous with appropriate yttrium addition. Compared with the conventional low expansion superalloy, the misfit of the platelet phase with the matrix in the yttrium-containing low expansion superalloy decreases from 0.7% to 0.07%, which indicates very low stress at the interface.

One-pot synthesis and optical properties of In- and Sn-doped ZnO nanoparticles

Colloidal indium-doped zinc oxide (IZO) and tin-doped zinc oxide (ZTO) nanoparticles were successfully prepared in organic solution, with metal acetylacetonate as the precursor and oleylamine as the solvent. The crystal and optical properties were characterized by X-ray diffraction, UV−visible spectrophotometry, and fluorescence spectroscopy, respectively; the surface and structure morphologies were observed by scanning electron microscopy and transmission electron microscopy. The XRD patterns of the IZO and ZTO nanoparticles all exhibited similar diffraction peaks consistent with the standard XRD pattern of ZnO, although the diffraction peaks of the IZO and ZTO nanoparticles were slightly shifted with increasing dopant concentration. With increasing dopant concentration, the fluorescent emission peaks of the IZO nanoparticles exhibited an obvious red shift because of the difference in atomic radii of indium and zinc, whereas those of the ZTO nanoparticles exhibited almost no shift because of the similarity in atomic radii of tin and zinc. Furthermore, the sizes of the IZO and ZTO nanoparticles distributed in the ranges 20–40 and 20–25 nm, respectively, which is attributed to the difference in ionic radii of indium and tin. © 2017, University of Science and Technology Beijing and Springer-Verlag Berlin Heidelberg.

Study of (Ga, Mn)N prepared by Mn-ion implantation using optical techniques

This paper reports that （Ga, Mn）N is prepared using implantation of 3at.% Mn Ions into undoped GaN. Structural characterization of the crystals was performed using x-ray diffraetion（XRD）. Detailed XRD measurements have revealed the characteristic of Mn-ion implanted GaN with a small contribution of other compounds. With Raman spectroscopy measurements, the spectra corresponding to the intrinsic GaN layers demonstrate three Raman active excitations at 747, 733 and 566 cm-1 identified as EI（LO）, A1 （LO） and E~, respectively. The Mn-doped GaN layers exhibit additional excitations at 182, 288, 650 725, 363, 506cm^-1 and the vicinity of E~ mode. The modes observed at 182, 288, 650 725em 1 are assigned to macroscopic disorder or vacancy-related defects caused by Mn-ion implantation. Other new phonon modes are assigned to Mnx-Ny, Gax-Mny modes and the local vibrational mode of Mn atoms in the （Ga, Mn）N, which are in fair agreement with the standard theoretical results.

Enhancement of upconversion luminescence due to the formation of nanocrystals in Er^(3+)-doped tellurite glasses

Optically transparent Er^3＋-doped tellurite-based nanocrystallized glasses with the composition of 70TeO2.15Li2O·15Nb2O5·0.5Er2O3 （mol） have been prepared bv a conventional melting quenching and the subsequent heat treatment processes. The sizes of grown nanocrystals in glass matrix appear to be 35-50 nm from the X-ray diffraction （XRD） measurement. The microhardness measurement shows that the Vickers hardness values of the nanoerystallized tellurite glasses are larger （33%-62%） than those in the base glass. The Raman spectra imply that the maximum phonon energy of the based glass decreases and shifts from 668 to 638 cm^-1 after heat-treatment. Visible upconversion luminescence and infrared luminescence of the base glass and heat-treated glasses under 980-nm laser diode （LD） excitation are investigated. The 524-, 546- and 656-nm upconversion intensities by 980-nm pumping increase significantly.

Impact of cooling condition on the crystal structure and surface quality of preferred c-axis-oriented AlN films for SAW devices

AlN films with preferred c-axis orientation are deposited on Si substrates using the radio frequency(RF) magnetron sputtering method.The post-processing is carried out under the cooling conditions including high vacuum,low vacuum under deposition gas ambient and low vacuum under dynamic N2 ambient.Structures and morphologies of the films are analyzed by X-ray diffraction(XRD) and atomic force microscopy(AFM).The hardness and Young's modulus are investigated by the nanoindenter.The experimental results indicate that the(100) and(110) peak intensities decrease in the XRD spectra and the root-mean-square of roughness(Rrms) of the film decreases gradually with the increase of the cooling rate.The maximum values of the hardness and Young modulus are obtained by cooling in low vacuum under deposition gas ambient.The reason for orientation variation of the films is explained from the perspective of the Al-N bond formation.

Novel Tm^(3+)-doped transparent fluorozirconate glass-ceramic containing nanocrystalline

A new transparent Tm^3＋-doped ZrFa-based nanocrystallized glass with the composition of 55ZrFa-20BaF2- 18.8YF3-5A1F5-1.2TmF3 （tool%） （ZBYA） has been prepared by a conventional melting quenching technique and the subsequent heat treatment processes. The glass characteristic temperatures, the apparent activation energy, and the Avrami parameter for crystallization are estimated on the basis of different scanning calorimetry （DSC）. The sizes of grown nanocrystals in the glass matrix appear to be 30-36.5 nm and it is studied as a function of the nucleation temperature, also the peak intensity of the nanocrystalline is studied as a function of the nucleation temperature from the X-ray diffraction （XRD） measurement. The microhardness measurement shows that the Vickers microhardness （Hy） values of the heat-treated glass samples are larger than that of the based glass about 17.26%-42.04%.

Growth and optical properties of Cr^(3+)-doped CdWO_4 single crystals

A high-quality Cr 3＋：CdWO4 single crystal at a size of approximatelyΦ25×80 mm is grown using the Bridgman method with CdO,WO3,and Cr2O3 as raw materials and their molar ratio of 100：100：0.5.The temperature gradient of solid-liquid interface at growth is approximately 50？C/cm and the growth rate is 0.05 mm/h.The X-ray diffraction（XRD）,absorption,excitation,and emission spectra of different parts of the as-grown and O2-annealed crystals are investigated.Two strong broad optical absorption bands of about 472 and 708 nm are observed,and they are associated with the transitions 4 A2→ 4 T1 and 4 A2→ 4 T2.The weak 4 T2→ 2 E transition（the R-line）at 632 nm is also observed.The crystal-field parameter Dq and the Racah parameters B and C are estimated to be 1 412.4,776.8,and 3 427.6 cm？ 1,respectively,according to the absorption spectra and crystal-splitting theory.A broadband fluorescence at about 1 000 nm due to 4 T2→ 4 A2 transition is produced by exciting the samples at 675 nm.After being annealed in an O2 atmosphere,the crystals become more transparent,while the effective light absorption of Cr 3＋ ions is evidently enhanced and the emission intensity is also strengthened due to the reduction of oxygen vacancies in the CdWO4 crystal after annealing.

Surface Modification of Titanium by Producing Ti/TiN Surface Composite Layers via FSP

In this paper, we report the use of blowing nitrogen gas for the successful fabrication of a composite layer composed of Ti/TiN on a substrate of commercially pure titanium （cp-2） using the friction stir processing technique. The prepared composite layer was characterized by X-ray diffraction, scanning electron microscopy and energy-dispersive X-ray spectrometry. The maximum microhardness of the Ti/TiN composite reached 1024 HV, which is 6.4 times higher than that of the titanium substrate. The results of wear test indicated that the Ti/TiN composite layer possesses excellent abrasive and adhesive wear resistance because of the formation of the TiN and its high hardness.

FePO4-coated Li[Li0.2Ni0.13Co0.13Mn0.54]O2 with improved cycling performance as cathode material for Li-ion batteries

Li[Li0.2Ni0.13Coo.13Mn0.54]O2 cathode materials were synthesized by carbonate-based co-precipitation method, and then, its surface was coated by thin layers of FePO4. The prepared samples were characterized by X-ray diffraction （XRD）, field emission scanning electron micro- scope （FESEM）, energy-dispersive spectroscopy （EDS）, and transmission electron microscopy （TEM）. The XRD and TEM results suggest that both the pristine and the coated materials have a hexagonal layered structure, and the FePO4 coating layer does not make any major change in the crystal structure. The FePO4-coated sample exhibits both improved initial discharge capacity and columbic efficiency compared to the pristine one. More significantly, the FePO4 coating layer has a much positive influence on the cycling perfor- mance. The FePO4-coated sample exhibits capacity reten- tion of 82 % after 100 cycles at 0.5℃ between 2.0 and 4.8 V, while only 28 % for the pristine one at the same charge-discharge condition. The electrochemical impe- dance spectroscopy （EIS） results indicate that this improved cycling performance could be ascribed to the presence of FePO4 on the surface of Li[Li0.2Ni0.13Co0.13Mno.54102 par- ticle, which helps to protect the cathode from chemical attacks by HF and thus suppresses the large increase in charge transfer resistance.

Influence of Mn-doping concentration on the microstructure and magnetic properties of ZnO thin films

The microstructure and magnetic properties of Mn-doped ZnO films with various Mn contents,synthesized by magnetron sputtering at room temperature,are investigated in detail.X-ray diffraction(XRD) measurement results suggest that the doped Mn ions occupy the Zn sites successfully and do not change the crystal structure of the ZnO films.However,the microstructure of the Mn-doped ZnO films apparently changes with increasing the Mn concentration.Arrays of well-aligned nanoscale rods are found in the Mn-doped ZnO films with moderate Mn concentrations.Magnetic measurement results indicate that the ZnO films doped with moderate Mn concentration are ferromagnetic at room temperature.The possible origin of the ferromagnetism in our samples is also explored in detail.

Synthesis and photoluminescence properties of CdS hollow nanospheres by chemical vapor deposition

High-density CdS hollow nanospheres are successfully synthesized by a simple chemical vapor deposition technology.The crystal structure,compositional information,and morphological structure are characterized by X-ray diffraction(XRD),scanning electronic microscopy(SEM),transmission electronic microscopy(TEM),and energy-dispersive X-ray spectrometer(EDX).The results show that the as-prepared CdS hollow nanospheres have uniform size about 1-3 μm in diameter.The Kirkendall phenomenon is proposed for the formation of the CdS nanostructures.A strong emission located at 580 nm is observed.