Journal ArticleDOI
Fityk: a general-purpose peak fitting program
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TLDR
Fityk is portable, open-source software for nonlinear curve fitting and data analysis that enables Pawley refinement of powder diffraction data and size–strain analysis.Abstract:
Fityk is portable, open-source software for nonlinear curve fitting and data analysis. It specializes in fitting a sum of bell-shaped functions to experimental data. In particular, it enables Pawley refinement of powder diffraction data and size–strain analysis.read more
Citations
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Effective Passivation of Exfoliated Black Phosphorus Transistors against Ambient Degradation
Joshua D. Wood,Spencer A. Wells,Deep Jariwala,Kan Sheng Chen,Eunkyung Cho,Vinod K. Sangwan,Xiaolong Liu,Lincoln J. Lauhon,Tobin J. Marks,Mark C. Hersam +9 more
TL;DR: It is shown that the ambient degradation of BP can be managed effectively when the flakes are sufficiently passivated, and the strategy for enhancing BP environmental stability will accelerate efforts to implement BP in electronic and optoelectronic applications.
Journal ArticleDOI
Graphene oxide and reduced graphene oxide studied by the XRD, TEM and electron spectroscopy methods
Leszek Stobinski,Beata Lesiak,Artur Małolepszy,Marta Mazurkiewicz,Bogusław Mierzwa,J. Zemek,Petr Jiricek,I. Bieloshapka +7 more
TL;DR: The commercial and synthesised few-layer graphene oxide, prepared using oxidation reactions, and few layer reduced graphene oxide samples were structurally and chemically investigated by the X-ray diffraction (XRD), transmission electron microscopy (TEM) and electron spectroscopy methods.
Journal ArticleDOI
Profex: a graphical user interface for the Rietveld refinement program BGMN.
TL;DR: Profex is a platform-independent open-source graphical user interface for the Rietveld refinement program BGMN.
Journal ArticleDOI
Origin of additional capacities in metal oxide lithium-ion battery electrodes
Yan-Yan Hu,Zigeng Liu,Kyung-Wan Nam,Olaf J. Borkiewicz,Jun Cheng,Xiao Hua,Matthew T. Dunstan,Xiqian Yu,Kamila M. Wiaderek,Lin-Shu Du,Karena W. Chapman,Peter J. Chupas,Xiao-Qing Yang,Claire P. Grey,Claire P. Grey +14 more
TL;DR: High-resolution multinuclear/multidimensional solid-state NMR techniques are used with in situ synchrotron-based techniques to study the prototype conversion material RuO2, demonstrating a protocol for studying the structure and spatial proximities of nanostructures formed in this system, including the amorphous solid electrolyte interphase that grows on battery electrodes.
Journal ArticleDOI
Accumulation, translocation and impact of TiO2 nanoparticles in wheat (Triticum aestivum spp.): Influence of diameter and crystal phase
Camille Larue,Julien Laurette,Nathalie Herlin-Boime,Hicham Khodja,Barbara Fayard,Barbara Fayard,Anne-Marie Flank,François Brisset,Marie Carrière,Marie Carrière +9 more
TL;DR: Comparing root accumulation and root-to-shoot translocation in wheat of anatase and rutile TiO(2)-NPs with diameters ranging from 14 nm to 655 nm suggests that only the smallest TiO (2) nanoparticles may be accumulated in wheat plants, although in limited amounts and that their impact is moderate.
References
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Journal ArticleDOI
A profile refinement method for nuclear and magnetic structures
TL;DR: In this paper, a structure refinement method was described which does not use integrated neutron powder intensities, single or overlapping, but employs directly the profile intensities obtained from step-scanning measurements of the powder diagram.
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Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction
TL;DR: In this article, the crystal structure of LiSbWO6 was solved from X-ray powder diffraction data and the structure was refined using Rietveld profile refinement principles.
Journal ArticleDOI
Unit-cell refinement from powder diffraction scans
TL;DR: In this paper, a procedure for the refinement of the crystal unit cell from a powder diffraction scan is presented, and at the end of the refinement a list of indexed intensities is produced.
Journal ArticleDOI
The Computational Crystallography Toolbox: crystallographic algorithms in a reusable software framework
TL;DR: The fundamental requirements for the Computational Crystallography Toolbox are outlined and the decisions that have lead to its implementation are explained, and the cctbx is released under an Open Source license to allow unrestricted use and continued development.
Journal ArticleDOI
Quantitative methods for nanopowders characterization
Tomasz Wejrzanowski,Roman Pielaszek,A. Opalińska,A. Opalińska,H. Matysiak,Witold Łojkowski,Krzysztof J. Kurzydłowski +6 more
TL;DR: In this paper, transmission electron microscopy (TEM) image analysis and X-ray methods are presented as promising and complementary techniques for the characterization of ZrO2 nanopowder.