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1

Shin, H. S., and S. J. Kwon. "A Suggestion on the Standard X-Ray Powder Diffraction Pattern of Barium Ferrite." Powder Diffraction 7, no. 4 (December 1992): 212–14. http://dx.doi.org/10.1017/s088571560001873x.

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AbstractWe have examined the barium ferrite powder X-ray diffraction patterns in the PDF using experimental and calculated diffractograms. An improved calculated diffractogram is proposed. The result indicates that the primary peak of barium ferrite is not (107) but is (114).
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2

Cameron, David G., and Ernest E. Armstrong. "Optimization of Stepsize in X-Ray Powder Diffractogram Collection." Powder Diffraction 3, no. 1 (March 1988): 32–38. http://dx.doi.org/10.1017/s0885715600013099.

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AbstractFourier transform methods of smoothing and interpolation are applied to X-ray diffraction data. It is shown that, frequently, too small a step size is used. Major gains are to be expected by selection of the optimum step size and use of these methods.A comparison of Fourier transforms of diffractograms of quartz measured between 67 and 69° 2θ, collected at varying step intervals (0.1 to 0.01° 2θ) was used to illustrate these applications. By examining the Fourier transform of the diffractogram and noting where it decays to die baseline, a reasonable estimate of the optimal step interval can be obtained. In addition, Fourier interpolation can be used to enhance the appearance of the diffractogram, approximating a continuous plot.
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3

Hosokawa, F., Y. Kondo, T. Honda, Y. Ishida, and M. Kersker. "On-line alignment and astigmatism correction using a TV and personal computer." Proceedings, annual meeting, Electron Microscopy Society of America 51 (August 1, 1993): 202–3. http://dx.doi.org/10.1017/s0424820100146850.

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High-resolution transmission electron microscopy must attain utmost accuracy in the alignment of incident beam direction and in astigmatism correction, and that, in the shortest possible time. As a method to eliminate this troublesome work, an automatic alignment system using the Slow-Scan CCD camera has been introduced recently. In this method, diffractograms of amorphous images are calculated and analyzed to detect misalignment and astigmatism automatically. In the present study, we also examined diffractogram analysis using a personal computer and digitized TV images, and found that TV images provided enough quality for the on-line alignment procedure of high-resolution work in TEM. Fig. 1 shows a block diagram of our system. The averaged image is digitized by a TV board and is transported to a computer memory, then a diffractogram is calculated using an FFT board, and the feedback parameters which are determined by diffractogram analysis are sent to the microscope(JEM- 2010) through the RS232C interface. The on-line correction system has the following three modes.
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4

Zemlin, Johannes, and Friedrich Zemlin. "Diffractogram tableaux by mouse click." Ultramicroscopy 93, no. 1 (October 2002): 77–82. http://dx.doi.org/10.1016/s0304-3991(02)00148-1.

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5

Meor Sulaiman, Meor Yusoff, Khaironie Mohamed Takip, and Ahmad Khairulikram Zahari. "In Situ XRD Study of Zirconia Phase Transformation Produced from Chemical and Mineral Processes." Materials Science Forum 840 (January 2016): 375–80. http://dx.doi.org/10.4028/www.scientific.net/msf.840.375.

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The high temperature phase transition of zirconia produced from commercial zirconyl chloride chemical was compared with that produced from a Malaysian zircon mineral. Zirconyl chloride was produced from zircon by using the hydrothermal fusion method. Initial XRD diffractogram of these samples at room temperature show that they are of amorphous structure. High temperature XRD studies was then performed on these samples; heated up to 1500°C. The XRD diffractograms shows that the crystalline structure of tetragonal zirconia was first observed and the monoclinic zirconia becomes more visible at higher heating temperature.
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6

Krivanek, O. L., and G. Y. Fan. "Complete HREM autotuning using automated diffractogram analysis." Proceedings, annual meeting, Electron Microscopy Society of America 50, no. 1 (August 1992): 96–97. http://dx.doi.org/10.1017/s0424820100120886.

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Complete autotuning of a high resolution electron microscope (HREM) aligns the electron illumination along the true axis of the objective lens (autoalignment), corrects the astigmatism (autostigmation) and sets the focus to a user-selected value (autofocusing). We have developed a new method which performs complete autotuning with just 3 images, and is faster and more accurate than the best human operators.Our method uses diffractograms of images of amorphous materials recorded with a slow-scan CCD camera (SSC) at magnifications of 200-800 kx. Diffractograms computed from SSC images have better quality than diffractograms formed in an optical bench from a micrograph recorded on film, and are the perfect starting point for the autotuning procedure. The diffractograms are analyzed by an automatic routine described previously. The analysis yields the defocus, astigmatism, and astigmatism direction, and the computer then applies the needed corrections to the microscope. A single image recorded in typically 0.5 - 1.0 sees plus about 8 sees of processing time on a Macintosh Quadra are therefore sufficient for complete autostigmation and autofocusing. This time is likely to decrease in the future simply because of the increasing power of new generations of computers.
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7

Ishizuka, Kazuo, and Koji Kimoto. "Why Do We Need to Use Three-Dimensional (3D) Fourier Transform (FT) Analysis to Evaluate a High-Performance Transmission Electron Microscope (TEM)?" Microscopy and Microanalysis 22, no. 5 (October 2016): 971–80. http://dx.doi.org/10.1017/s1431927616011806.

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AbstractThe resolution of high-resolution transmission electron microscopes (TEM) has been improved down to subangstrom levels by correcting the spherical aberration (Cs) of the objective lens, and the information limit is thus determined mainly by partial temporal coherence. As a traditional Young’s fringe test does not reveal the true information limit for an ultra-high-resolution electron microscope, new methods to evaluate temporal coherence have been proposed based on a tilted-beam diffractogram. However, the diffractogram analysis cannot be applied when the nonlinear contribution becomes significant. Therefore, we have proposed a method based on the three-dimensional (3D) Fourier transform (FT) of through-focus TEM images, and evaluated the performance of someCs-corrected TEMs at lower voltages. In this report, we generalize the 3D FT analysis and derive the 3D transmission cross-coefficient. The profound difference of the 3D FT analysis from the diffractogram analysis is its capability to extract linear image information from the image intensity, and further to evaluate two linear image contributions separately on the Ewald sphere envelopes. Therefore, contrary to the diffractogram analysis the 3D FT analysis can work with a strong scattering object. This is the necessary condition if we want to directly observe the linear image transfer down to a few tens of picometer.
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8

Frizado, Joseph. "A Microcomputer-Based X-Ray Diffractogram Simulation Program." Journal of Geological Education 33, no. 5 (November 1985): 277–80. http://dx.doi.org/10.5408/0022-1368-33.5.277.

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9

Fan, G. Y., and O. L. Krivanek. "Computer-Controlled Hrem Alignment Using Automated Diffractogram Analysis." Proceedings, annual meeting, Electron Microscopy Society of America 48, no. 1 (August 12, 1990): 532–33. http://dx.doi.org/10.1017/s0424820100181415.

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Full alignment of a high resolution electron microscope (HREM) requires five parameters to be optimized: the illumination angle (beam tilt) x and y, defocus, and astigmatism magnitude and orientation. Because neither voltage nor current centering lead to the correct illumination angle, all the adjustments must be done on the basis of observing contrast changes in a recorded image. The full alignment can be carried out by a computer which is connected to a suitable image pick-up device and is able to control the microscope, sometimes with greater precision and speed than even a skilled operator can achieve. Two approaches to computer-controlled (automatic) alignment have been investigated. The first is based on measuring the dependence of the overall contrast in the image of a thin amorphous specimen on the relevant parameters, the other on measuring the image shift. Here we report on our progress in developing a new method, which makes use of the full information contained in a computed diffractogram.
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10

Fukushima, I., H. Shibahara, and N. Ogura. "Quantitative measurements of opitcal diffractogram using imaging plate." Journal of Electron Microscopy 48, no. 3 (January 1, 1999): 253–55. http://dx.doi.org/10.1093/oxfordjournals.jmicro.a023675.

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11

McCarthy, Gregory J., and Diane M. Johansen. "X-Ray Powder Diffraction Study of NBS Fly Ash Standard Reference Materials." Powder Diffraction 3, no. 3 (September 1988): 156–61. http://dx.doi.org/10.1017/s0885715600032899.

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AbstractThe fly ash Standard Reference Materials (SRMs) issued by the U.S. National Bureau of Standards have been studied by X-ray powder diffraction (XRD). Based on observations of large diffuse scattering maxima in their X-ray diffractograms, it was evident that all of the ashes had a high glass content. SRM 1633a and 2689, derived from the combustion of bituminous coal, contained different amounts of quartz, mullite, hematite and ferrite spinel (magnetite). SRM 2891, derived from subbituminous coal had quite a different chemical composition and a more complex crystalline phase assemblage, that included these four phases plus anhydrite, tricalcium aluminate, lime, periclase and minor phases. SRM 2690, also derived from subbituminous coal, had only quartz, mullite and ferrite spinel as detectable phases in its diffractogram. Analytical CaO is an important factor in determining the phase assemblage; SRM 2691 had 25.8 wt%, SRM-2690 had 8.0%, and the ash derived from bituminous coals had only 1.6-3.0%. The changing composition of the glass phases in the SRMs is detected in a shift in the position and shape of the diffuse scattering maximum in the diffractograms. Use of an internal intensity standard permitted quantitative comparisons of the relative amounts of crystalline phases among the four fly ash SRMs.
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12

Kuzmin, V. S., V. V. Chernyshev, and A. I. Luttseva. "X-ray Diffraction Analysis of Linezolid Crystalline Forms as Part of Quality Control." Bulletin of the Scientific Centre for Expert Evaluation of Medicinal Products 9, no. 4 (December 3, 2019): 261–64. http://dx.doi.org/10.30895/1991-2919-2019-9-4-261-264.

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This work is a continuation of research on the use of X-ray diffraction analysis (XRD) for identification of medicines that exhibit polymorphism.The aim of the paper was to perform comparative XRD analysis of linezolid samples produced by different manufacturers.Materials and methods: the measurements were performed using an Empyrean X-ray powder diffraction system (PANalytical, Netherlands) with an X’Celerator linear solid-state detector using Ni-filtered CuKa radiation. The results were recorded at 1.5406 and 1.5444 А with the intensity ratio in the doublet of 2:1. The two-phase Rietveld refinement of the obtained diffractograms was used for the quantitative analysis.Results: the authors compared diffractograms of three commercial samples of linezolid. The revealed differences were analysed taking into consideration available literature on the polymorphic forms of linezolid. It was demonstrated that only forms II and IV should be considered as different polymorphs of linezolid.Conclusions: the study demonstrated that linezolid samples produced by different manufacturers could represent different polymorphs or mixtures thereof. The evaluation of linezolid quality by X-ray diffraction analysis requires the comparison of the obtained results with the diffractogram of the form IV reference standard. Relevant information should be provided by manufacturers in the product specification file.
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13

Jansen, J., R. Peschar, and H. Schenk. "On the determination of accurate intensities from powder diffraction data. I. Whole-pattern fitting with a least-squares procedure." Journal of Applied Crystallography 25, no. 2 (April 1, 1992): 231–36. http://dx.doi.org/10.1107/s0021889891012104.

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A new algorithm, direct intensity fitting, has been developed which performs a whole-pattern fitting for powder data. The algorithm is related to the fitting technique of Pawley [J. Appl. Cryst. 14, 357–361] but does not require start values for the intensities of the individual reflections. Comparative tests show that direct intensity fitting extracts more accurate intensities from a powder diffractogram and reduces the minimum peak distance for accurate data to half of the half-widths. The structure of the superconductor Ba2YCu3O8−x can be solved in a default direct-methods run with direct-intensity-fitting intensities extracted from a normal laboratory powder diffractogram.
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14

Möbus, G., F. Phillipp, and M. Rühle. "Verification of sub-Å information transfer and its influence on the precision of structure determination by quantitative HRTEM." Proceedings, annual meeting, Electron Microscopy Society of America 52 (1994): 748–49. http://dx.doi.org/10.1017/s042482010017147x.

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Using quantitative diffractometry from a micrograph of an amorphous germanium film, the total contribution to the chromatic damping envelope by focus spread could be determined for a high-voltage ultra-high-resolution microscope operating at 1250kV. The major difficulties of quantification beyond the usual analysis of the zero crossings of the diffractograms are the proper correction for scattering factor, modulation transfer function, background and noise. Nonlinear imaging, inelastic scattering and depth of focus of thick specimens are considered to be minor effects at high voltages. The Fourier transform of a hyperbolic astigmatic image can be converted into a Thon diagram (or contrast transfer nomogram) using a special (modified polar-to-cartesian) coordinate transformation The resulting Thon diagram of Fig. la shows the weak phase contrast transfer as a function of spatial frequency (horizontal axes) and defocus (vertical axes). Diffractogram maxima can be seen out to 0.97 Å. A focus spread of Δ = 10nm could be determined by fitting the experimental to calculated Thon diagrams (Fig. 1 b).
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15

Hirota, Yoshihiro, Toshiyuki Isshiki, and Makoto Shiojiri. "Crystal structures and transformation of Cu-Se and Ag-Te in solid-solid reactions." Proceedings, annual meeting, Electron Microscopy Society of America 48, no. 4 (August 1990): 352–53. http://dx.doi.org/10.1017/s0424820100174898.

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Cu-Se and Ag-Te crystals which grew by solid-solid reactions of vacuum-deposited metal and chalcogen films were investigated with a JEM 200-CX electron microscope (Cs= 1.2 mm), with the aid of image simulation and optical diffraction.Fig. 1 shows an image of a slender crystal observed 10 days after an amorphous Se film was mounted on a holey Cu film. The image in A matches with a calculated image shown in Fig. 2a. The calculation was carried out for a CuSe crystal (P63/mmc, a=0.394, c=1.725 nm) 20 nm thick, with the a-axis relatively tilted at 1° about the [012] axis to the incident electron beam, at an underfocus of Δf=50 nm. The optical diffractogram from the image of the area A was used for the calibration of the distance in the optical diffractograms from the other areas B∼ E. The crystal in B formed before the formation of the CuSe crystal.
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16

Patil, S. M., and P. H. Pawar. "Influence of Deposition Temperature on Nanocrystalline CdS Thin Films: Application in Solar Cells as Antireflection Coatings." International Letters of Chemistry, Physics and Astronomy 36 (July 2014): 21–36. http://dx.doi.org/10.18052/www.scipress.com/ilcpa.36.21.

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Nanocrystalline CdS thin films were successfully prepared using simple chemical bath deposition technique. Cadmium sulphate, thiourea and deionised water were used as starting precursor solution. The prepared thin films were characterized using X-ray diffractogram (XRD), Scanning electron microscope (SEM), elemental composition using energy dispersive spectrophotometer (EDAX) and optical band gap (UV-Spectroscopy).X-ray diffractogram reveals that present of cubic and hexagonal phase. The thickness, crystallite size and grain size were observed to be increase with increase operating temperature of bath while optical band gap energy slightly decreases. Effect of deposition temperature on physical, structural, microstructural, electrical and optical properties of these films was studied and presented in the present investigation. Prepared thin films shows good response towards photoconducting in presence and absent of light
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17

Wertz, David L. "Mass Absorption Corrected X-Ray Powder Diffractograms. Part 1: Measuring Pyrite in Powdered Coals." Powder Diffraction 5, no. 1 (March 1990): 44–47. http://dx.doi.org/10.1017/s0885715600015219.

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AbstractAn X-ray analysis method has been developed for the quantitative analysis of pyrite (FeS2) in coals and lignites. Requiring neither the use of external or internal references, the method linearly relates diffraction peak area in the absorption corrected X-ray diffractogram obtained from the finely powdered coal to the pyrite abundance. The [311] diffraction peak of pyrite (FeS2) has been used to develop the analysis protocol. The Argonne premium coals have been used as the experimental subjects. The abundance of pyrite in each coal has been measured from the absorption corrected diffractograms, which has been constructed from the experimentally measured diffraction intensities and the mass absorption coefficient of each coal sample. The accuracy (accessed from the figure-of-merit and the net count uncertainty associated with the 1.63 Å pyrite peak) as well as the lower limit of detection for pyrite in these coals is presented. The role of the mass absorption coefficient in the conversion of the measured intensity to the absorption corrected intensity is discussed.
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18

Pan, M., and O. L. Krivanek. "HREM autotuning on crystalline materials." Proceedings, annual meeting, Electron Microscopy Society of America 53 (August 13, 1995): 24–25. http://dx.doi.org/10.1017/s0424820100136490.

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Complete autotuning of a high resolution electron microscope has been well established. It performs the following tasks: align the electron beam along the true electron-optical axis of objective lens (autoalignment), correct the astigmatism (autostigmation), and set the defocus to a user defined value (autofocus). It can also characterize the coefficient of 3-fold astigmatism while performing the autoalignment. Based on diffractogram analysis current HREM autotuning algorithm only works on amorphous materials. In reality, however, most of the HREM practice is performed on crystalline materials. Therefore it is highly desirable to extend the current HREM autotuning algorithm to crystalline specimens. In this abstract we report preliminary studies on attempting to analyze diffractograms from a mix of crystalline and amorphous materials.For crystalline specimens observed in most high resolution electron microscopes, except under UHV conditions, there is typically a thin layer of amorphous contamination due to either sample preparation or poor vacuum conditions. This amorphous layer can be easily seen at the edge of a crystalline sample in the microscope.
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19

САЕНКО, Н. С., and А. М. ЗИАТДИНОВ. "The approximation of X-ray diffraction profiles of thermally reduced nanostructured derivatives of graphene oxide." Вестник ДВО РАН, no. 6(214) (December 24, 2020): 17–26. http://dx.doi.org/10.37102/08697698.2020.214.6.002.

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В работе представлен метод моделирования рентгеновских дифрактограмм пленок термически восстановленных наноструктурированных производных оксида графена с помощью линейной комбинации теоретических профилей порошков квазидвумерно-разориентированных несколькослойных турбостратных нанографенов (нанографитов). Метод позволяет определять относительное содержание нанографитов с различными средними размерами и числом слоев, а также функцию плотности вероятности, характеризующую долю частиц в порошке повернутых на заданный полярный угол. Предложенная процедура моделирования пригодна также для аппроксимации экспериментальных рентгенограмм любых материалов, содержащих протяженные квазидвумерно-разориентированные структуры турбостратных нанографитов. The paper outlines the procedure of modeling X-ray diffractogram of films for thermally reduced nanostructured graphene oxide derivatives using a linear combination of the theoretical profiles for powders of quasi-two-dimensional misoriented few-layer turbostratic nanographenes (nanographites). The method allows us to determine the relative content of nanographites with various average sizes and number of layers, as well as a probability density function characterizing the fraction of particles in the powder, which is rotated by a certain polar angle. The proposed modeling procedure is also suitable for the approximation of experimental X-ray diffractograms of any materials containing extended quasi-two-dimensional misoriented structures of turbostratic nanographites.
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20

Sabaté, Ferran, José L. Jordá, María J. Sabater, and Avelino Corma. "Synthesis of isomorphically substituted Ru manganese molecular sieves and their catalytic properties for selective alcohol oxidation." Journal of Materials Chemistry A 8, no. 7 (2020): 3771–84. http://dx.doi.org/10.1039/c9ta11903e.

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Ruthenium has been incorporated into the framework of the cryptomelane type manganese oxide K-OMS-2 ([Ru]-K-OMS2). Accordingly, Rietveld refinement of the X-ray diffractogram has allowed to estimate changes in the values of cell parameters.
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21

Oho, Eisaku, and Kenji Toyomura. "Strategies for optimum use of superposition diffractogram in scanning electron microscopy." Scanning 23, no. 5 (December 7, 2006): 351–56. http://dx.doi.org/10.1002/sca.4950230509.

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22

Patel, Kamakshi, M. P. Deshpande, Vivek P. Gujarati, and S. H. Chaki. "Effect of Heating Time Duration on Synthesis of Colloidal Silver Nanoparticles." Advanced Materials Research 1141 (August 2016): 14–18. http://dx.doi.org/10.4028/www.scientific.net/amr.1141.14.

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Size-controlled silver nanoparticles are prepared at two different heating time duration (30 and 60min) under conventional heating at 80 ̊C in an aqueous solution of silver nitrate (AgNO3) as a precursor and trisodium citrate (C6H5O7Na3.2H2O) as a reducing agent under continuous stirring. The size and size distribution of the resulting silver nanoparticles prepared under conventional heating are strongly dependent on the duration of heating. As the heating duration is increased, aggregation and grain growth is observed. When duration of heating was 60min a distinct increase in the particles size was observed that lead to shift in the plasmon band as confirmed by UV-Vis absorption spectroscopy. TEM images shows that silver nanoparticles are nearly spherical in shape and their sizes are ranging between 2-42 nm and their cubic structure was confirmed by X-ray diffractogram. From X-ray diffractogram we calculated crystallite size using Scherrer’s equation which comes out to about 36nm and that determined from Hall-Williamson plot turns out to be 19nm.
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23

Prigodich, R. V., and M. Zager. "Indexing crystal faces." Powder Diffraction 10, no. 2 (June 1995): 127–28. http://dx.doi.org/10.1017/s0885715600014500.

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This paper describes a straightforward method for the identification of the Miller indices associated with the face of a crystal of low symmetry. The method relies on orienting a crystal face parallel to the sample holder in the goniometer of a powder diffractometer. An intense diffractogram resulting from a single family of lattice planes parallel to the crystal face is obtained. The application of silicon powder to the surface of the crystal provides a means to correct 2Θ values for any misalignment of the crystal face. Calculated 2Θ and intensity values are used to assign the reflections from the corrected single-crystal diffractogram to a particular set of related lattice planes. In this paper are listed the corrected experimental 2Θ and intensity values for a particular face of a large single crystal of monoclinic hydroxylapatite and the theoretical 2Θ and intensity values for the h00 set of planes. Comparison of these parameters leads to the unambiguous assignment of that particular crystal face to the h00 Miller index.
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24

Thomas, George. "Low Temperature Fluorination of Superconducting and Non-superconducting Compounds Using NH4F." Mapana - Journal of Sciences 1, no. 2 (June 6, 2003): 1–6. http://dx.doi.org/10.12723/mjs.2.1.

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Compounds Y1Ba2Cu3, Pr1Ba2Cu3O7 and La2CuO4 were fluorinated by a low temperature fluorination method using NH4F.The fluorinated samples were analysed by x-ray diffraction and resistivity measurements. The x-ray diffractogram of the fluorinated samples indicated broadening of the peaks. None of the fluorinated samples showed any superconducting behaviour.
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25

Brunet, F., C. Chopin, A. Elfakir, and M. Quarton. "Crystal and powder XRD data of Mg3(PO4)2-III: High-temperature and high-pressure form." Powder Diffraction 10, no. 4 (December 1995): 293–95. http://dx.doi.org/10.1017/s0885715600015013.

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A new diffraction pattern of the high-temperature and high-pressure polymorph Mg3(PO4)2-III (PDF 43-500) is given and indexed on the basis of a single-crystal structure refinement. It allows diffractogram indexing of the isostructural high-temperature and high-pressure form of Co3(PO4)2 (PDF 43-499).
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26

Lücken, Uwe, and Max T. Otten. "The CM200 Feg-Twin Optimized for Cryo-Electron Microscopy." Proceedings, annual meeting, Electron Microscopy Society of America 54 (August 11, 1996): 448–49. http://dx.doi.org/10.1017/s0424820100164702.

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The requirements for cryo-electron microscopy are: good vacuum, high resolution under low-dose conditions at low magnification, low drift with cooled cryo-transfer holders and, in some cases, fast spotscan imaging. For our cryo microscopes we have introduced special factory tests in which these specifications will be met.In order to obtain high spatial frequencies at low magnification an appropriate specimen with a statistical distribution of small spacings and a fine-grained recording film is needed. We used amorphous tungsten on carbon as specimen and overexposed and underdeveloped Agfa Scienta film (Fig. 1). The laser diffractogram in Fig. 2 presents Thon rings out to 0.19 nm in a one-second exposure flood-beam image. The result of a similar experiment done with a cooled cryo-transfer holder is shown in Fig. 3. Flood-beam images of gold islands and carbon black on a thin carbon film were taken at 66 OOOx at liquid-nitrogen temperature with one second exposure under low-dose conditions. The laser diffractogram clearly shows Thon rings out to 0. 2 nm.
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27

Meden, A., and M. Ceh. "Powder Data for Ba3Ca2Ti2O9." Powder Diffraction 7, no. 3 (September 1992): 169. http://dx.doi.org/10.1017/s0885715600018558.

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Powder data for the title compound have been published by Kwestroo and Paping (1959) (PDF 13-325) but neither unit cell nor indices were given. A diffractogram of this compound has been successfully indexed by the program TREOR (Eriksson and Westdahl, 1985) and the unit cell subsequently refined by a least squares procedure (Table 1).
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28

Weitzer, F., L. Perring, T. Shibayanagi, M. Naka, and J. C. Schuster. "Determination of the crystal structure of CuSnTi by full profile Rietveld analysis." Powder Diffraction 15, no. 2 (June 2000): 91–93. http://dx.doi.org/10.1017/s0885715600010897.

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The crystal structure of the new ternary phase CuSnTi is determined by full profile Rietveld analysis of the powder diffractogram. 104 reflections were refined to a final RBragg value of 5.60%. CuSnTi crystallizes with the spacegroup P63/mmc and is isostructural to InNi2. The lattice parameters are a=0.439 555(5) nm and c=0.601 505(9) nm.
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29

Boussemghoune, Mohamed, Mustapha Chikhi, Yasin Ozay, Pelin Guler, Bahar Ozbey Unal, and Nadir Dizge. "The Investigation of Organic Binder Effect on Morphological Structure of Ceramic Membrane Support." Symmetry 12, no. 5 (May 6, 2020): 770. http://dx.doi.org/10.3390/sym12050770.

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In this study, we investigated the effect of different organic binders on the morphologic structure of ceramic membrane support. Natural raw clay material (kaolin) was used as the main mineral for ceramic membrane support. The physical and chemical properties of kaolin powder and the supports were identified by X-ray fluorescence (XRF), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), Brunauer–Emmett–Teller (BET), thermo gravimetric analysis (TGA), scanning electron microscopy (SEM), particle size and zeta potential distribution. Based on the XRF test, the main composition of kaolin powder was SiO2 (47.41%) and Al2O3 (38.91%), while the rest were impurities. The FTIR spectra showed the functional groups of Si-O and Al-O. The XRD diffractogram of natural raw clay powder identified kaolinite and nacrite were the main mineral phase whereas muscovite and quartz were detected in small quantities in the sample. After prepared the ceramic membrane supports, XRD diffractogram showed that anorthite and gehlenite were detected as the main mineral phases for ethylene glycol (EG), gelatin, methocel and for polyethylene glycol (PEG), respectively. According to BET analyses, the maximum and the minimum pore width were obtained for PEG and gelatin organic binders.
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30

Patthey, L., and E. L. Bullock. "Design of an electron spectrometer for automated photoelectron diffractogram imaging over π steradians." Journal of Electron Spectroscopy and Related Phenomena 83, no. 1 (January 1997): 99–112. http://dx.doi.org/10.1016/s0368-2048(96)03061-7.

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31

Somasundaram, D., Annamalai Mani, and M. Kamaraj. "Heat and Fluid Flow Characteristics of Copper Metal Foam as Heat Pipe Wick Material." Applied Mechanics and Materials 787 (August 2015): 112–16. http://dx.doi.org/10.4028/www.scientific.net/amm.787.112.

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This work is carried out to study the copper metal foam as porous wick structure in a flat heat pipe. The method of fabricating copper foam has been described. The characterization of copper foam has been carried out by scanning electron microscope (SEM) and X-Ray Diffractogram (XRD) analysis. Effect of liquid velocity on pressure drop and maximum capillary heat transport of fabricated copper foam has been presented.
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32

Kamminga, J. D., R. Delhez, Th H. de Keijser, and E. J. Mittemeijer. "A tool for X-ray diffraction analysis of thin layers on substrates: substrate peak removal method." Journal of Applied Crystallography 33, no. 1 (February 1, 2000): 108–11. http://dx.doi.org/10.1107/s0021889899013461.

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A method is proposed that removes the substrate peaks from a diffraction pattern recorded from a substrate covered with a thin layer, using a separate measurement of the uncovered substrate. The obtained diffractogram without substrate peaks can then be used for the characterization of the microstructure of the thin layer. As an example, the method is shown to yield good results for a TiN layer deposited on a tool-steel substrate.
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33

Will, G., and Ch Höffner. "HFIT, A Program for Interactive Analysis of Powder Diffraction Data." Advances in X-ray Analysis 35, A (1991): 571–76. http://dx.doi.org/10.1154/s0376030800009265.

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AbstractHFIT is a program for the analysis of diffraction diagrams containing overlapping peak clusters. Profile functions have been implemented to analyze synchrotron diffraction data. It is written un Turbo C++ for PC operations. The analysis is done by operator interaction. The analysis is done on sections of the diffractogram containing a maximum of 2048 data points or 100 diffraction maxima. Special care is taken for smoothing the data and for the subtraction of background.
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34

ZAMIAN, José Roberto, Antonio Eduardo MAURO, Carolina Coimbra NUNES, and Eduardo Tonon DE ALMEIDA. "Thermal decomposition and stability in a series of heterobimetallic carbonyl compounds of the type [Fe(CO)4(HgX)2] (X=Cl, Br, I)." Eclética Química 25 (2000): 89–95. http://dx.doi.org/10.1590/s0100-46702000000100008.

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Heterobimetallic carbonyl compounds of the type [Fe(CO)4(HgX)2] (X= Cl, Br, I), which have metal-metal bonds, have been prepared in order to study their thermal stabilities as a function of the halogen coordinated to mercury atoms. The characterization of the above complexes was carried out by elemental analysis, IR and NMR spectroscopies. Their thermal behaviour has been investigated and the final product was identified by IR spectroscopy and by X-ray powder diffractogram.
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35

SURESHKUMAR, P., C. SUBRAMANIAN, and P. RAMASAMY. "GROWTH AND MORPHOLOGY STUDIES OF BiSrCaCu2Oy CRYSTALS." Modern Physics Letters B 03, no. 18 (December 1989): 1417–20. http://dx.doi.org/10.1142/s0217984989002120.

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Thin single crystalline layers of BiSrCaCu 2 O y from molten solvent KCl and narrow blade-like crystals of the same compound from the solvent KI were grown using high temperature solution technique. They exhibited superconducting transition at 80 K. The grown crystals were scanned through optical and scanning electron microscopes and their growth mechanism was interpreted. X-ray diffractogram showed the structure as orthorhombic with a = 5.42 Å, b = 5.45 Å and c = 30.77 Å.
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36

McCarthy, G. J., D. G. Grier, and P. Bayliss. "Upgrading Sulfide Mineral Patterns for the ICDD Powder Diffraction File." Advances in X-ray Analysis 38 (1994): 107–15. http://dx.doi.org/10.1154/s0376030800017705.

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Abstract The majority of sulfide mineral patterns in the International Centre for Diffraction Data Mineral Powder Diffraction File have historically been of low quality (e.g., FN < 10 and qualitative intensities). A five-year study has resulted in upgrading approximately 20% of the poorer quality patterns and will triple the number of “star quality” patterns. This paper describes the experimental methods used to obtain these upgraded patterns. The essential role of diffraction pattern calculations and diffractogram simulations is stressed.
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37

Woude, F. van der, and P. J. Schurer. "A study of quasi-crystalline Al–Fe alloys by Mössbauer-effect spectroscopy and diffraction techniques." Canadian Journal of Physics 65, no. 10 (October 1, 1987): 1301–8. http://dx.doi.org/10.1139/p87-205.

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After an introduction to quasi crystals, special attention is paid to icosahedral Al6(Cr0.7Fe0.3) and decagonal Al7(Mn1−xFex)2. These alloys have been studied with Mössbauer-effect spectroscopy and diffraction techniques. Isomer-shift and quadrupole-splitting data on the icosahedral alloys are successfully described with a Mackay cluster. The X-ray diffractogram of pure decagonal Al7(Mn1−xFex)2, x = 0 and 0.3, has been indexed with a basis-vector set that is closely related to the icosahedral set.
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38

Zhu, Yimei, M. Suenaga, and R. L. Sabatini. "A new approach to study diffuse scattering." Proceedings, annual meeting, Electron Microscopy Society of America 48, no. 4 (August 1990): 418–19. http://dx.doi.org/10.1017/s0424820100175223.

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A new approach combining high resolution electron microscopy with computer imaging techniques is used to study streaking of electron diffuse scattering. It was found that this newly developed technique has many merits for studying modulated structures. It can form images directly from the weak diffuse scattering intensity representing a small area on the order of several nm and with less double diffraction effect as compared with the selected area diffraction (SAD). The diffractogram produced has no artifacts from a hard aperture and can show much more detail as compared with the optical diffraction technique.This technique is based on analyzing a HREM image intensity. Fig. 1 is an example of study involving tweed structure, which exhibits a roughly periodic cross-hatched contrast in morphology associated with streaks in diffraction in Fe doped YBa2Cu3O7 [see inset of Fig. 1(a)]. Since the streak is short and its intensity is weak, it is not possible to form a dark-field image from the streak in an electron microscope. Nevertheless, with this new technique, we can form an image by Fourier transforming the streak. Shown in Fig. 1(a) is a digitized image from a HREM micrograph negative using an Eikomix camera and the SEMPER program. The digitized image was then Fourier-transformed to form a diffractogram. By placing small windows around all fundamental spots including all streaks, a subsequent inverse transformation strongly suppressed the non-periodic noise in the image.
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39

Nordin, Muhammad Nur Adeel, Muhammad Hamiz Zafran Zakaria, Nurul Nadiha Mohd Kamrin, Maratun Najiha Abu Tahari, and Mohd Ambar Yarmo. "Characterization of Silica Gel Impregnated with Tetradecylamine by X-Ray Diffractometry and Brunauer-Emmet-Teller Studies." Materials Science Forum 888 (March 2017): 175–78. http://dx.doi.org/10.4028/www.scientific.net/msf.888.175.

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Commercially available porous silica gel (SG) is chemically modified for carbon dioxide capture. Calcinated silica gel functionalized with amine (tetradecylamine, TDA) using wet impregnation has been employed as a porous media. The prepared adsorbents is characterized by x-ray diffractometry (XRD) and N2 physisorption techniques (Brunauer-Emmet-Teller analysis, BET). Appearance of 3 new crystalline peaks on 65TDA/SG diffractogram evidenced the presence of TDA molecules on the SG. Significant changes in physical properties of the adsorbents further ascertained the dispersion of TDA on the internal channels and external surface of the SG.
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40

Patil, J. M., S. B. Patil, R. H. Bari, and A. N. Sonar. "Studies on Structural, Morphology and Electrical Properties of Chemically Sprayed WO3-V2O5 Nanocomposites thin Films." International Letters of Chemistry, Physics and Astronomy 53 (July 2015): 71–78. http://dx.doi.org/10.18052/www.scipress.com/ilcpa.53.71.

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Spray pyrolysis technique was employed to prepare WO3-V2O5 nanocomposites thin onto the preheated glass substrate at 350 °C. The films were characterized using X-ray diffractogram (XRD), Field emission scanning electron microscopy (FE-SEM), and Element composition was studied using energy dispersive spectrophotometer (EDAX).The film thickness was measured using weight difference method. Electrical conductivity measured with the help of two probe method. The crystallite size and grain size were observed to be increase with increase in films thickness with decrease in activation energy. The results are discussed and interpreted.
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41

REGO, José, Jorddy CRUZ, Marcondes COSTA, Fabrine ALVES, Isaque MEDEIROS, Gleice PEREIRA, Maria SANTOS, Pabllo SANTOS, Alessandra LOPES, and Davi BRASIL. "ANALYSIS OF PURINIC ALKALOIDS BY XRD AND MOLECULAR MODELING METHODS." BOLETIM DO MUSEU DE GEOCIÊNCIAS DA AMAZÔNIA 8 (2021), no. 1 (May 6, 2021): 1–8. http://dx.doi.org/10.31419/issn.2594-942x.v82021i1a1jarr.

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Theophylline, theobromine and caffeine, are purine-based alkaloids in which the main differentiation in the molecular structure is the presence of methyls, one, two and three, respectively in these substances. This study presents an analysis by XRD and molecular modeling methods of the alkaloid’s caffeine and theobromine. The crystalline structure of caffeine was characterized as a monoclinic system, and the diffractogram of the caffeine crystals showed peaks with regions of greater intensity at 2θ = 11.7616 ° (d = 7.51 Å; I% = 80.13) and 2θ = 11.9416 ° (d = 7.40 Å; I% = 98.14). In the diffractogram of the theobromine crystal sample, peaks of greater intensity occurred in the regions 2θ = 13.4616 ° (d = 6.57 Å; I% = 98.92) and 2θ = 27.0816 ° (d = 3, 28 Å; I% = 67.23). Results obtained by XRD for caffeine and theobromine were compatible with standard cards of the X’Pert High Score Plus® program. The presence of an extra methyl in the structure of the caffeine purine base, suggests, a shift in the values ​​of the angle 2 θ for the main peaks of theobromine, as well as an increase in intensity, mainly in 27.016, theobromine also presents a peak in the region 10.6 which does not occur in caffeine. Statistical results reveal that the linear models for data of peaks of specific angles in 2θ of the samples, presented good linear correlation (R2> 98%) and satisfactory results after the procedure of cross validation. caffeine and theobromine also showed important differences in interactions with adenosine A2AR, particularly in hydrophobic and hydrogen interactions.
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42

Cumba, Loanda Raquel, U. O. Bicalho, and D. R. Carmo. "Preparation and Characterization of A Composite Obtained through Ti (IV) and Phosphoric Acid." Materials Science Forum 775-776 (January 2014): 97–101. http://dx.doi.org/10.4028/www.scientific.net/msf.775-776.97.

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This paper describes the preparation and complementary characterization of a composite formed from the activation of titanium isopropoxide by phosphoric acid and deionized water (TiP).Techniques such as, X-ray diffraction (XRD), Raman , electronic (UV-vis) and Scanning electron microscopies (SEM) were used for characterization of this new composite formed. In the X-ray diffractogram of TIP was observed four intense peaks. A strong absorption was observed in the region 362-445 nm. The scanning electron microscopy of TiP, shows that the prepared material consists mostly of a cluster of spherical particles with diameters ranging from 2.35 to 2.60 μm.
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43

Sholehah, Amalia, and Akhmad Herman Yuwono. "Stress – Strain Analysis on ZnO Nanostructures Synthesized via Wet Chemistry Method." Advanced Materials Research 1112 (July 2015): 57–61. http://dx.doi.org/10.4028/www.scientific.net/amr.1112.57.

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In the present work, ZnO nanostructures were synthesized via wet chemistry method. The seeding solution was prepared from zinc nitrate tetrahydrate and hexamethylenetetramine. Prior to the heating process, the seeding solution was immersed in cold bath (0°C). XRD analysis had shown sharp peaks in diffractogram, indicating the high crystallinity of ZnO nanostructures. The crystallite size was determined using Scherrer equation and Williamson-Hall method. Other relevant parameters including stress, strain, and energy density were calculated using Williamson-Hall assuming UDM, UDSM, and UDEDM. The results had revealed that crystallite size calculated with Williamson-Hall method is more accurate than Scherrer equation.
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44

Hiismäki, P. "Background-filtered transmission diffraction with internal intensity calibration." Journal of Applied Crystallography 22, no. 2 (April 1, 1989): 79–83. http://dx.doi.org/10.1107/s0021889888010015.

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It is inferred that by frequency filtering the logarithm of the time-of-flight spectrum of neutrons that have passed through a powdered isotropic crystalline sample a diffractogram may be obtained with many desirable properties for achieving high-quality refinement of structural parameters. Apart from multiple scattering no wavelength-dependent effects or corrections need to be introduced, which implies automatic internal calibration of the Bragg intensities. For utilization of the inherent high resolution of the transmission geometry, a Fourier chopper in the pulsed beam from an intensity-optimized quasi-steady-state moderator is suggested. Results of model calculations are presented.
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45

Yang, Xue, Li Qian Huang, and Long Di Cheng. "Study on the Structure and the Properties of Akund Fiber." Applied Mechanics and Materials 217-219 (November 2012): 617–21. http://dx.doi.org/10.4028/www.scientific.net/amm.217-219.617.

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Structure and property of akund fiber were studied. Length, linear density, infrared spectrum, X-ray diffractogram, thermal property and tensile property of akund fiber were tested and contrasted to cotton and kapok. The results indicated that akund fiber length is about 31mm and linear density is about 1 dtex; its projection diameter is close to kapok. Akund fiber contains a relative large content of lignin. All of the three kinds of fibers are cellulose I crystal, the crystallinity of akund fiber is the smallest and is only 28.92%. Breaking strength and breaking elongation rate of akund fiber is smaller than that of cotton and larger than that of kapok.
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46

Panda, B. B., B. Sharma, and R. K. Rana. "Ultrasound mediated synthesis of CuS nanocrystallites." Materials Science-Poland 34, no. 2 (June 1, 2016): 446–50. http://dx.doi.org/10.1515/msp-2016-0062.

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AbstractWe present a unique ultrasonication based method for the preparation of copper sulphide nanoparticles in ambient air using a single precursor complex, which acts as a source of both metal and sulphur. The nanoparticles of 3.31 nm have been prepared successfully by the method and characterized using powder X-ray diffractogram (PXRD), dynamic light scattering (DLS) analysis UV-Vis spectroscopy and fluorescence spectroscopy. The results proved that copper sulphide nanoparticles of hexagonal structure (covellite phase) can be prepared by sonochemical method within a very short reaction time of ~5 min. The band gap of the nanomaterial has also been calculated from absorption spectrum and was found to be 2.36 eV.
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47

MAHAJAN, AMAN, ANSHUL KUMAR, MANDEEP SINGH, DINESH PATHAK, and R. K. BEDI. "CHARACTERIZATION OF DROP CASTED CuTsPc FILMS ON ITO SUBSTRATES." International Journal of Nanoscience 12, no. 01 (February 2013): 1350001. http://dx.doi.org/10.1142/s0219581x13500014.

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This study evaluated the possibility of utilizing a drop-cast process for CuTsPc -based organic solar cells. CuTsPc thin films were deposited by drop-cast method on ITO substrate. The absorption spectra of these films show two well-defined absorption bands of phthalocyanine molecule, namely, the soret (B) and Q-band. The band gaps calculated from the absorption spectra is found to lie in the range of 1.55–4.04 eV. X-ray diffractogram of the films indicate their polycrystalline nature. Atomic force microscope (AFM) investigations of the films show granular grain like morphology. The data for mobility, dielectric constant, extinction coefficient and refractive index are also presented in this communication.
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48

Rahman, Fauzi, Agnes Nuniek Winantari, Dwi Setyawan, and Siswandono . "COMPARISON STUDY OF GRINDING AND SLURRY METHOD ON PHYSICOCHEMICAL CHARACTERISTIC OF ACYCLOVIR – SUCCINIC ACID COCRYSTAL." Asian Journal of Pharmaceutical and Clinical Research 10, no. 3 (March 1, 2017): 153. http://dx.doi.org/10.22159/ajpcr.2017.v10i3.15925.

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ABSTRACTObjective: This study aimed to compare the characteristics of acyclovir (ACV)-succinic acid (SA) cocrystal with grinding and slurry method.Methods: Cocrystals were prepared using grinding and slurry methods. Physicochemical characterizations were performed using powder X-raydiffraction (PXRD), differential scanning calorimetry, Fourier transform infrared (IR) spectroscopy, scanning electron microscope (SEM), anddissolution test.Results: The study revealed that cocrystal of ACV-SA showed a decrease in the melting temperature, i.e., 175.10°C, respectively, in comparison with themelting point of the constituent materials (ACV 253.53°C and SA 187.29°C). PXRD diffractogram showed that cocrystal with grinding method exhibitednew diffraction peaks at angle 2θ=8.92°, 16.24°, and 17.14°, while PXRD diffractogram of cocrystal with slurry method exhibit new diffraction peaksat angle 2θ=16.25°, and 19.63°. Characterization with IR spectroscopy showed the disappearance of transmission peaks at 3441cm disappearance ofC=O stretch at 1584cm and 1612cm. Dissolution efficiency of each treatment group calculated the efficiency of dissolution in 15th minutes, grindingmethod cocrystal with grinding time 15 minutes give the dissolution efficiency were 54.23%. Slurry method cocrystal with solvent concentration12 ml/g gives the high value of the dissolution efficiency is 74.36%. SEM micrographs showed that cocrystals prepared by solvent evaporation methodhave differences crystal form at magnification 5000× magnification compared to pure ACV and physical mixture.Conclusion: The study concluded that cocrystals of ACV-SA were successfully formed using grinding and slurry methods. The formed cocrystalsof ACV-SA exhibited different physicochemical characteristics as compared to the constituent materials. The formed cocrystals prepared by slurrymethod have a high intensity of diffraction peak on X-ray diffraction and highest dissolution efficiency at 15 minutes rather than grinding methodcocrystal.Keywords: Cocrystal, Acyclovir, Succinic acid, Grinding, Slurry, Powder X-ray diffraction, Fourier transform infrared, Dissolution rate.
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49

Sitorus, Berlian, Ferdinand Hidayat, and Veinardi Suendo. "Synthesis of Polyaniline-Cellulose Conductive Composites with Modified Initial Treatment of Cellulose." International Journal of Engineering and Applied Science Research 1, no. 1 (July 30, 2020): 18. http://dx.doi.org/10.26418/ijeasr.v1i1.41197.

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Conductive polymers are polymers that can conduct electric current because they have conjugated double bonds. Polyaniline is one example of conductive polymers with advantages such as high conductivity, excellent environmental stability, and easy to be synthesized. Nevertheless, polyaniline still has disadvantages such as rigid physical properties that can limit its usage application. Some studies state that stiffness can be overcome by forming composites. Cellulose has been used as a matrix in making polyaniline composites because of its flexible nature. In this study, the synthesis of PANI-cellulose composites was carried out with five different treatment variations, including swelling pretreatment and without swelling pretreatment, reaction through sonication, and without sonication. This treatment difference aims to examine the effect of swelling and sonication processes on composite properties analyzed through peaks appear in Fourier Transformation Infrared spectrometry, conductivity using Electrochemical Impedance Spectroscopy, as well as differences in the diffractogram of X-Ray Diffraction. In addition to the variations in the initial treatment, variations in the mass of the aniline were also used. The aim is to determine the optimum amount of aniline used to obtain a composite with the highest conductivity value. Inserting aniline to cellulose to synthesis PANI-cellulose composites affected the absorption peaks at wave numbers that identify C-N bonds in PANI-cellulose composites. Also, there are typical peaks of C-N indicated the formation of hydrogen bonds in the composite between PANI and cellulose. Analysis with EIS shows that composite C with an aniline concentration of 2.0 g/L has the highest conductivity, which is 4.77 x 10-6 S/cm. The diffractograms show the formation of organic compounds on PANI-cellulose composites, marked by the peak intensity and widen diffraction patterns.
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Saenko, Nikita S., and Albert M. Ziatdinov. "Full-Profile Approximation of the X-Ray Diffractogram for Nanographite Powder Including γ-Band by Taking into Account Radial Dependence of Interatomic Distances." Defect and Diffusion Forum 386 (September 2018): 394–99. http://dx.doi.org/10.4028/www.scientific.net/ddf.386.394.

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This paper outlines the procedure for determining the sizes, structural parameters and percentage content of various particle types in nanographite powders by full-profile approximation of the X-ray diffractogram of sample with using a set of X-ray diffraction profiles for powders of model nanographites. It was shown that taking into account the model nanographites with the radial dependence of interatomic distances within the layer and the dependence of interlayer distances on average number of atoms in the layer allows to describe the X-ray diffraction profile of nanographite powder in the wide angular range including so-called γ-band in small angles without assumptions on presence of other structures in it.
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