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A new polymorphic form of sodium selenite pentahydrate is reported in this contribution. We determined its crystal structure from laboratory powder diffraction data recorded at room temperature. It crystallizes in the monoclinic system P 2 1 / n with Z = 4. The lattice parameters are a = 15.01473(16) Å, b = 7.03125(7) Å, c = 8.13336(10) Å, β = 98.4458(10)°, and V = 849.345(16) Å 3 . The crystal structure exhibits a layered structure with isolated 1D chains running along the b -axis.

HighScore with the Plus option (HighScore Plus) is the commercial powder diffraction analysis software from PANalytical. It has been in constant development over the last 13 years and has evolved into a very complete and mature product. In this paper, we present a brief overview of the suite focusing on the latest additions and its user-friendliness. The introduction briefly touches some basic ideas behind HighScore and the Plus option.

The ICDD's Powder Diffraction File ™ (PDF ® ) is a database of inorganic and organic diffraction data used for phase identification and materials characterization by powder diffraction. The PDF has been available for over 75 years and finds application in X-ray, synchrotron, electron, and neutron diffraction analyses. With entries based on powder and single crystal data, the PDF is the only crystallographic database where every entry is editorially reviewed and marked with a quality mark that alerts the user to the reliability/quality of the submitted data. The editorial processes of ICDD's quality management system are unique in that they are ISO 9001:2015 certified. Initially offered as text on paper cards and books, the PDF evolved to a computer-readable database in the 1960s and today is both computer and web accessible. With data mining and phase identification software available in PDF products, and the databases’ compatibility with vendor (third party) software, the 1 000 000+ published PDF entries serve a wide range of disciplines covering academic, industrial, and government laboratories. Details describing the content of database entries are presented to enhance the use of the PDF.

In this present work, a PVA/PVP-blend polymer was doped with various concentrations of neodymium oxide (PB-Nd+3) composite films using the solution casting technique. X-ray diffraction (XRD) analysis was used to investigate the composite structure and proved the semi-crystallinity of the pure PVA/PVP polymeric sample. Furthermore, Fourier transform infrared (FT-IR) analysis, a chemical-structure tool, illustrated a significant interaction of PB-Nd+3 elements in the polymeric blends. The transmittance data reached 88% for the host PVA/PVP blend matrix, while the absorption increased with the high dopant quantities of PB-Nd+3. The absorption spectrum fitting (ASF) and Tauc’s models optically estimated the direct and indirect energy bandgaps, where the addition of PB-Nd+3 concentrations resulted in a drop in the energy bandgap values. A remarkably higher quantity of Urbach energy for the investigated composite films was observed with the increase in the PB-Nd+3 contents. Moreover, seven theoretical equations were utilized, in this current research, to indicate the correlation between the refractive index and the energy bandgap. The indirect bandgaps for the proposed composites were evaluated to be in the range of 5.6 eV to 4.82 eV; in addition, the direct energy gaps decreased from 6.09 eV to 5.83 eV as the dopant ratios increased. The nonlinear optical parameters were influenced by adding PB-Nd+3, which tended to increase the values. The PB-Nd+3 composite films enhanced the optical limiting effects and offered a cut-off laser in the visible region. The real and imaginary parts of the dielectric permittivity of the blend polymer embedded in PB-Nd+3 increased in the low-frequency region. The AC conductivity and nonlinear I-V characteristics were augmented with the doping level of PB-Nd+3 contents in the blended PVA/PVP polymer. The outstanding findings regarding the structural, electrical, optical, and dielectric performance of the proposed materials show that the new PB-Nd+3-doped PVA/PVP composite polymeric films are applicable in optoelectronics, cut-off lasers, and electrical devices.

Zinc Sulphide thin films were grown by chemical spray pyrolysis. The influence of substrate temperature ST (250, 350 and 450°C) on structural and optical characterization is investigated. XRD Patterns of the synthesized film show the preferred orientation of (111) planes, confirming the Cubic structure of ZnS, The Grain size for pure of ZnS particle is about (19.05-32.80) nm with substrate temperature, whereas the strain (%) parameter decrease from 18.17 to 10.56. Surface topogrphy is studied by atomic force microscope (AFM). The grain size is observed in the area of (86.73), (78.74) and (77.58) nm for the substrate temperature (250, 350 and 300°C) respectively. band gap energy was set to decrease a bit with the increment of ST and was in area of 3.85-3.65 eV.

Zirconium oxide (ZrO2) and doped with boron (B) thin films were prepared by Chemical spray pyrolysis CSP. Optical band gap energy of the films decreased from 3.83 to 3.73.55 eV via increase of doping. X-XRD patterns disclosed that films structure were polycrystalline, mixture of monoclinic and tetragonal phases. Atomic force microscopy (AFM) results assure dependence of surface morphology and roughness upon doping.

Zeolitic imidazolate frameworks (ZIFs) are interesting materials for use in several aspects: energy storage material, gas sensing, and photocatalysis. The thermal stability and pyrolysis process are crucial in determining the active phase of the material. A deep understanding of the pyrolysis mechanism is in demand. Therefore, the thermodynamics and combustion process with different heating rates was examined, and the kinetic parameters were computed employing thermogravimetric tests. Based on the TG analysis of combustion, pyrolysis moves to the high-temperature region with an increase in heating rate. The decomposition process can be separated into the dehydration (300–503 K) and the pyrolysis reaction (703–1100 K). Three points of the decomposition process are performed by dynamical analysis owing to shifts of slopes, but the combustion process has only one stage. The Zeolitic imidazolate framework’s structure properties were examined using TDDFT-DFT/DMOl3 simulation techniques. Dynamical parameters, for instance, the possible mechanism, the pre-exponential factor, and the apparent activation energy are obtained through comparison using the Kissinger formula. The thermodynamics analysis of the Zn1-xCox-ZIF-8 materials is an effective way to explore the temperature influence on the process of pyrolysis, which can benefit several environment purifications, photocatalyst, and recent applications.

In the present study, carbon black activated by CO2 gas was examined through XRD analysis, especially with regard to changes in its structural parameters. Based on the results, its activation process was thoroughly analyzed. The activation process was controlled by isothermally activating the carbon black inside a reaction tube through which CO2 gas flowed. With this approach, the degree of activation was varied as desired. At an early stage of the activation process, the amorphous fraction on the carbon black surface was preferentially activated, and later the less-developed crystalline carbon (LDCC) region inside the carbon black particles started to be activated. The latter process was attributable to the formation of pores inside the carbon black particles. As the activation process proceeded further, the more-developed crystalline carbon (MDCC) region started to be activated, thereby causing the pores inside the carbon black particles to grow larger. At the last stage of the activation process, La was found to be decreased to about 40 Å. This implied that the edges of the graphite crystals had been activated, thus causing the internal pores to grow and coalesce into larger pores. Activated conductive Super-P with enhanced pore properties is expected to have wide applications.

MnO, a potential cathode for aqueous zinc ion batteries (AZIBs), has received extensive attention. Nevertheless, the hazy energy storage mechanism and sluggish Zn2+ kinetics pose a significant impediment to its future commercialization. In light of this, the electrochemical activation processes and reaction mechanism of pure MnO were investigated. Combining the Pourbaix diagram and phase diagram of Zn‐Mn–O with experiment results, the essential energy storage behavior of MnO cathode can be explained as follows: (1) Zn2+ insertion/extraction into ZnMn2O4 derived from MnO‐based active material, and (2) Zn2+ insertion/extraction into ZnMn2O4 (originated from the transition of Mn2+ → Zn2Mn3O8 → ZnMn2O4 in the electrolyte). To further ulteriorly enhance the electrochemistry performance of MnO, N‐doped carbon fiber surrounding MnO nanoparticles was constructed, which can provide a conductive matrix with a high specific surface area preventing the undue stack of as‐formed ZnMn2O4. Additionally, it creates a conductive highway for Zn2+ penetration through the electrode/electrolyte interphase, thanks to the electron‐rich N that facilitate the reduction of the desolvation penalty. Thus, the results from this study provide a new angle for designing high‐performance MnO‐based cathodes for AZIBs. Graphical 摘要MnO作为一种潜在的水系锌离子电池正极材料，受到了广泛关注。然而，模糊的储能机制和缓慢的锌离子动力学对其未来商业化构成了重大障碍。鉴于此，我们研究了MnO的电化学激活过程和反应机制。结合Zn‐Mn‐O的Pourbaix图和相图与实验结果，可知MnO正极的基本储能行为如下：（1）来源于MnO基活性材料的ZnMn2O4中的Zn2+嵌入/脱出，以及（2）电解液中Mn2+→Zn2Mn3O8→ZnMn2O4的转变过程中ZnMn2O4中的Zn2+嵌入/脱出。为了进一步提升MnO的电化学性能，我们构建了N掺杂碳纤维包围的MnO复合材料，这种结构可以提供一个具有高比表面积的导电基质，防止新生成的ZnMn2O4过度堆积。此外，由于富电子的N元素有助于减少Zn2+嵌入的去溶剂化效应，为其越过电极/电解质界面构筑了导电通路。因此，本研究的结果为设计高性能的MnO基水系锌离子电池正极提供了新视角。

The development of advanced catalysts for various electrochemical reactions necessitates precise characterization of their structure and dynamic evolution. This study introduces an innovative electrochemical cell tailored for operando X‐ray characterizations, including X‐ray diffraction (XRD) and X‐ray absorption fine structure (XAFS). The cell features an adjustable aqueous electrolyte window to reduce X‐ray signal absorption and an integrated flow system for efficient removal of gas products. This design enables simultaneous XRD and XAFS measurements in both fluorescence and transmission modes. Using LiCoO2 as a model oxygen evolution reaction catalyst, operando measurements reveal structural transformations during the reaction. This device will aid in the exploration of catalyst mechanisms and the development of high‐performance catalysts. An innovative electrochemical cell is introduced, optimized for in situ X‐ray diffraction and X‐ray absorption spectroscopy studies of electrocatalysts, featuring an adjustable aqueous electrolyte window to minimize X‐ray absorption and a flow system for efficient gas product removal during operando testing.