Demonstration of thin film pair distribution function analysis (tfPDF) for the study of local structure in amorphous and crystalline thin films

Jensen, Kirsten M. Ø.; Blichfeld, Anders Bank; Bauers, Sage R.; Wood, Suzannah R.; Dooryhée, E.; Johnson, David C.; Iversen, Bo B.; Billinge, Simon J. L.

doi:10.1107/s2052252515012221

Cited by 55 publications

(45 citation statements)

References 30 publications

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“…It is clear that other methods are needed for a complete understanding of the structure of nanoparticles.High-energy XRD (HE-XRD) measurements combined with a Pair Distribution Function (PDF) analysis can yield valuable information on the short-range atomic ordering of nanocrystalline materials with some degree of structural coherence and periodicity. A large body of literature [20][21][22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37] details how the PDF analysis can enable a complete structural investigation of a nanostructured material. Application to nanomaterials, however, has become practical only recently, with the advent of high-flux and high-energy synchrotron radiation sources.…”

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confidence: 99%

Structure of Manganese Oxide Nanoparticles Extracted via Pair Distribution Functions

et al. 2020

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The structure of nanoparticles has been difficult to determine accurately because the traditional structure methods rely on large monocrystals. Here, we discuss the structure of nanoparticles based on real-space modeling of the pair distribution function obtained by a Fourier transformation of the high-energy X-ray scattering structure factor. In particular, we consider X-ray scattering data taken from colloidal manganese oxide nanoparticles used in Lithium-ion batteries, air-purification, and biomedical systems, which are known to exist in various nanometer-sized polymorphs. Insight is thus obtained into characterizing the structural relaxation of the MnO6 octahedra, which are the key building blocks of oxide nanoparticles, important in many technologies.

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confidence: 99%

Structure of Manganese Oxide Nanoparticles Extracted via Pair Distribution Functions

et al. 2020

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“…However, both electron PDF, and PDF from delaminated films are destructive measurements. Recently, there was a report of a non-destructive tour-the-force measurement by Jensen and co-workers20 in which they isolate the total scattering of a 360 nm film grown on a relatively thin (170 microns) borosilicate glass by careful subtraction of the substrate contribution. Obtaining total scattering from a thin film via carefully subtraction of scattering from the substrate, despite being non-destructive, has some inherent limitations.…”

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Measurement and Modeling of Short and Medium Range Order in Amorphous Ta2O5 Thin Films

Shyam

Stone

Bassiri

et al. 2016

Sci Rep

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Amorphous films and coatings are rapidly growing in importance. Yet, there is a dearth of high-quality structural data on sub-micron films. Not understanding how these materials assemble at atomic scale limits fundamental insights needed to improve their performance. Here, we use grazing-incidence x-ray total scattering measurements to examine the atomic structure of the top 50–100 nm of Ta2O5 films; mirror coatings that show high promise to significantly improve the sensitivity of the next generation of gravitational-wave detectors. Our measurements show noticeable changes well into medium range, not only between crystalline and amorphous, but also between as-deposited, annealed and doped amorphous films. It is a further challenge to quickly translate the structural information into insights into mechanisms of packing and disorder. Here, we illustrate a modeling approach that allows translation of observed structural features to a physically intuitive packing of a primary structural unit based on a kinked Ta-O-Ta backbone. Our modeling illustrates how Ta-O-Ta units link to form longer 1D chains and even 2D ribbons, and how doping and annealing influences formation of 2D order. We also find that all the amorphousTa2O5 films studied in here are not just poorly crystalline but appear to lack true 3D order.

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“…This experimental design promotes localized crystallization and growth of TiO 2 films on the conducting layer. Utilizing thin film PDF data acquisition and analysis methods 36 at the National Synchrotron Light Source II (NSLS-II) at Brookhaven National Laboratory, it was found that TiO 2 films grown by MWR-assisted synthesis at a solution temperature of 160°C contained long-range crystalline anatase phase TiO 2 mixed with a locally ordered amorphous component. PDF fitting revealed that this amorphous component could be estimated by a 77:23 brookite:anatase ratio.…”

Section: Ex Situ Synchrotron X-ray Studies Of Mwr-assisted Synthmentioning

confidence: 99%

Synchrotron X-ray characterization of materials synthesized under microwave irradiation

Nakamura

Reeja‐Jayan

2019

J. Mater. Res.

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Demonstration of thin film pair distribution function analysis (tfPDF) for the study of local structure in amorphous and crystalline thin films

Abstract: It is shown how normal-incidence X-ray total scattering can be used to obtain high-quality pair distribution functions from amorphous and crystalline thin films on much thicker substrates, allowing a range of studies of the local structure in film materials.

Cited by 55 publications

References 30 publications

Structure of Manganese Oxide Nanoparticles Extracted via Pair Distribution Functions

Structure of Manganese Oxide Nanoparticles Extracted via Pair Distribution Functions

Measurement and Modeling of Short and Medium Range Order in Amorphous Ta2O5 Thin Films

Synchrotron X-ray characterization of materials synthesized under microwave irradiation

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