Pdxl2

Manufactured by Rigaku

Sourced in Japan

PDXL2 is a software package developed by Rigaku for X-ray powder diffraction analysis. The software provides data analysis and visualization tools for interpreting powder diffraction patterns.

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PDXL2 integrated X-ray powder diffraction software (3 citations)

23 protocols using pdxl2

Crystalline Zirconia Structure Analysis

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The influence of sandblasting and plasma irradiation using different gas species on crystalline structure of the zirconia specimens was analyzed using a θ–2θ XRD (SmartLab, Rigaku, Tokyo, Japan). The specimens used in the analysis of surface topography were subjected to XRD analysis (i.e., seven groups and n = 3 for each group). Diffractograms with Cu-Kα radiation were obtained from 27° to 33° at a scan speed of 10°/min and a step size of 0.02°. The monoclinic volume fraction, Vm, was calculated using the Garvie and Nicholson method modified by Toraya [19 (link),20 ],

where It and Im represent the integrated intensity of the tetragonal (101) and monoclinic (111) and (−111) peaks. The integrated intensity of each peak was calculated using the device software (PDXL2, Rigaku). The results were analyzed using Tukey’s test.

Yoda N., Abe Y., Suenaga Y., Matsudate Y., Hoshino T., Sugano T., Nakamura K., Okino A, & Sasaki K. (2022). Resin Cement–Zirconia Bond Strengthening by Exposure to Low-Temperature Atmospheric Pressure Multi-Gas Plasma. Materials, 15(2), 631.

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Chitin Crystallinity and Acetylation Analysis

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X-ray diffractograms were obtained using an X-ray diffractometer (Rigaku Smart Lab 3 kW, Tokyo, Japan) under operation conditions of 40 kV and 30 mA with Cu Kα radiation. The relative intensity was recorded in steps of 0.1° and at a speed of 3.0 °/min. The crystallinity index (CrI) was determined by integrated X-ray powder diffraction software (Rigaku PDXL2, Rigaku Corporation, Tokyo, Japan). The quantitative analysis was performed based on the Rietveld refinement and an ab-initio crystal structure determination using crystal structure information of α-chitin provided by the software. The degree of acetylation (DA) of chitin [21 (link)] was calculated by:

D A (%) = 100 - \frac{(103.97 - C r I)}{0.7529}

Taokaew S., Ofuchi M, & Kobayashi T. (2019). Size Distribution and Characteristics of Chitin Microgels Prepared via Emulsified Reverse-Micelles. Materials, 12(7), 1160.

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Structural Characterization of ENM Powders

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X-Ray diffraction (XRD) was used to define the crystal structure of ENM powders. The XRD patterns of ZnO and CuO ENMs were collected in 2θ at 10−90° configuration with a 0.02° increment and 2s step. Collected data were analyzed by EVA software by BRUKER^©. For Ga₂O₃ ENM, XRD measurements were performed with a Rigaku Miniflex in a silicon low background holder and with a 1.25° divergence slit. The diffractograms were then analyzed in Rigaku’s PDXL2 and Rietveld refinement performed where appropriate.

Toprani S.M., Bitounis D., Qiansheng H., Oliveira N., Ng K.W., Tay C.Y., Nagel Z.D, & Demokritou P. (2021). A High-Throughput Screening Platform for Nanoparticle-Mediated Alterations of DNA Repair Capacity. ACS nano, 15(3), 4728-4746.

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Structural Analysis by X-Ray Diffraction

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The XRD patterns were measured by an x-ray diffractometer (MiniFlex600, Rigaku) equipped with a one-dimensional high-speed detector (D/tex Ultra, Rigaku) at 40 kV and 15 mA. The values of X_c and D_hkl were estimated by the profile fitting method and Scherrer’s equation, respectively, using the integrated x-ray powder diffraction software (PDXL 2, Rigaku).

Yano H., Kudo K., Marumo K, & Okuzaki H. (2019). Fully soluble self-doped poly(3,4-ethylenedioxythiophene) with an electrical conductivity greater than 1000 S cm−1. Science Advances, 5(4), eaav9492.

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Powder X-ray Diffraction Analysis

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XRD patterns were collected on a Rigaku SmartLab X-ray diffractometer using a Cu Kα source with a beam energy of 8.04 eV (λ = 1.5406 Å). Powder samples were mounted on glass slides and data analysis was performed using PDXL-2 Rigaku software.

Sugak N., Pham H., Datye A., Mukhopadhyay S., Tan H., Li M, & Pfefferle L.D. (2023). Controlling the spacing of the linked graphene oxide system with dithiol linkers under confinement. Nanoscale Advances, 5(17), 4553-4562.

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Characterization of C-S-H Gel Phases

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XRD analyses of Cm(III)-free C-S-H gel samples before and after leaching were performed to characterize the solid phases including secondary phases formed due to leaching. The diffractograms were collected with a MiniFlex 600 diffractometer (Rigaku, Tokyo, Japan) equipped with a Cu Kα X-ray source (40 keV/15 mA operation for X-ray generation) and the D/teX Ultra 1D silicon strip detector in the Bragg-Brentano θ-2θ geometry at a scanning speed of 0.6° per min. The samples were mounted as wet pastes on a zero-background Si sample holder and stored for several minutes in an inert gas atmosphere to remove excess water from the samples and thus, to minimize carbonation of the samples during measurements. The subsequent Rietveld analysis of diffractograms was done with the program PDXL 2 (Rigaku) and the ICDD PDF-4+ 2016 database (C-S-H phase (database card number 00-033-0306), portlandite (database card number 01-083-4600), calcite (database card number 01-083-4601), aragonite (database card number 01-075-9985), vaterite (database card number 04-017-8634) and halite (database card number 00-005-0628)).

Wolter J.M., Schmeide K., Huittinen N, & Stumpf T. (2019). Cm(III) retention by calcium silicate hydrate (C-S-H) gel and secondary alteration phases in carbonate solutions with high ionic strength: A site-selective TRLFS study. Scientific Reports, 9, 14255.

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Powder Characterization by XRD

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The powder specimens were characterized by XRD. XRD patterns were recorded using an X-ray diffractometer (RINT2000, Rigaku, Tokyo, Japan) with Cu Kα (λ = 0.1541 nm) incoming radiation range of 2θ from 4° to 60°, a step size of 0.02°, and a 2°/min scanning speed at a working voltage of 40 keV. Phase data were recognized and compared using the software PDXL2 (Rigaku).

Sato T., Sun J., Wang X., Takagi S., Teranishi Y., Inoue G., Takagaki T., Nikaido T., Tagami J, & Shimada Y. (2023). Analysis of reaction products on hydroxyapatite created by tooth etchants with different compositions. Journal of oral science, 65(1).

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Synthesis and Characterization of LiMn2O4 Cathode Materials

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All samples were prepared by a solid state reaction of LiMn 2 O 4 (Alfa Aesar) and Li 2 CO 3 (Sigma Aldrich). The LiMn 2 O 4 powder was thoroughly mixed with the proportional amount of Li 2 CO 3 in order to obtain the desired stoichiometry of Li 1+y Mn 2Ày O 4 . The mixture was heated up in a tube furnace to 600 1C for 18 h in air with a heating and cooling rate of 7 1C min À1 . Table 1 gives an overview of the synthesis conditions, the nominal amount of lithium from the synthesis and the lattice constants a of the samples, determined by X-ray diffraction (XRD) measurements.
Diffraction data was collected on a Rigaku Smartlab 9 kW using Cu Ka radiation (l = 1.54 Å) over a 2y range of 15-901 in Bragg-Brentano geometry with a step size of 0.011. The lattice parameters were determined from the XRD pattern using the Rigaku PDXL 2, based on the crystal structure reported by Berg et al. (ICSD 50415). 45

Schlueter S., Genieser R., Richards D., Hoster H.E, & Mercer M.P. (2018). Quantifying structure dependent responses in Li-ion cells with excess Li spinel cathodes: matching voltage and entropy profiles through mean field models. Physical chemistry chemical physics : PCCP, 20(33).

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X-ray Diffraction Analysis of Samples

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Wide angle X-ray diffraction patterns were obtained at room temperature (≈22 °C) with an automatic Rigaku powder diffractometer Miniflex 600 (Tokyo, Japan) operating in the θ/2θ Bragg–Brentano geometry and using CuKα radiation. The phase recognition was carried out by using the PDF-4+ 2014 (International Centre for Diffraction Data®, Newtown Square, Pennsylvania, USA) database and the Rigaku PDXL2 software (Rigaku, Tokyo, Japan).

Roviello G., Ricciotti L., Molino A.J., Menna C., Ferone C., Cioffi R, & Tarallo O. (2019). Hybrid Geopolymers from Fly Ash and Polysiloxanes. Molecules, 24(19), 3510.

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Comprehensive Material Characterization Protocol

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A particle-size analysis was performed using the laser diffractor Mastersizer 3000 by Malvern Panalytical Ltd. (Malvern, UK) (particle size range: 0.01 µm ÷ 3500 µm) with the Hydro EV wet sample dispersion unit.
A mineralogical characterization of the samples was performed using the X-ray diffraction (XRD) instrument Miniflex 600 (Rigaku Corporation, Tokyo, Japan) equipped with a diffracted beam monochromator set for Cu-Kα radiation (λ = 1.5418 Å). The 2θ scan range was 5 ÷ 80° with a step size of 0.02° and a scanning speed equal to 2θ/s. The mineralogical phase recognition was performed using Rigaku PDXL2 software (Rigaku Corporation, Tokyo, Japan) and the PDF4+ database (International Centre for Diffraction Data, Tokyo, Japan).
TGA was conducted using the TGA/DSC 2 (Mettler Toledo, Columbus, OH, USA), which is a combined device capable of measuring sample mass change and heat flow simultaneously. Each sample was tested within a temperature range of 25 ÷ 1000 °C with a heating rate of 10 °C/min.
The microstructures of the raw materials and final products were studied by means of SEM investigations. The morphological analysis was carried out using a ProX microscope (Phenom, Kondapur, India) equipped with the EDS (Energy Dispersive Spectroscopy) microprobe and the ProSuite software for elemental analysis evaluation.

Todaro F., Colangelo F., De Gisi S., Farina I., Ferone C., Labianca C., Petrella A., Cioffi R, & Notarnicola M. (2023). Recycling of Contaminated Marine Sediment and Industrial By-Products through Combined Stabilization/Solidification and Granulation Treatment. Materials, 16(6), 2399.

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