A Complete Overhaul of the Electron Energy-Loss Spectroscopy and X-Ray Absorption Spectroscopy Database: eelsdb.eu

Ewels, Philip; Sikora, T.; Serin, V.; Ewels, Christopher P.; Lajaunie, Luc

doi:10.1017/s1431927616000179

Cited by 91 publications

(101 citation statements)

References 41 publications

(57 reference statements)

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“…The Ti‐L 2,3 edges in this area is also further broadened to reach a shape which closely resembles that of the Ti‐L 2,3 edges in bulk Ti or NiTi alloy . A comparison between this Ti‐L 2,3 and a reference spectrum recorded in bulk Ti is presented in Figure S3b (Supporting Information). The O‐K edge also displays broader structures when compared to region B, however retains its global shape without displaying any particular new features.…”

Section: Resultsmentioning

confidence: 74%

“…Consequently, a large increase of the Ni signal is observed with respect to region B. A comparison with a reference spectrum from bulk Ni shown in Figure S3a (Supporting Information) reveals that, despite the relatively low signal‐to‐noise ratio of these spatially resolved data, a substantial broadening of the L 3 edge is clearly observed. This effect might be attributed to fluctuations of Ni oxidation state and local environment within the thickness of the specimen both in terms of geometry due to the presence of the metal/oxide interface and to the local disorder associated with the diffusion of Ti and O in the first atomic planes of the nanowire.…”

Section: Resultsmentioning

confidence: 92%

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Atomic‐Scale Study of Metal–Oxide Interfaces and Magnetoelastic Coupling in Self‐Assembled Epitaxial Vertically Aligned Magnetic Nanocomposites

Radtke

Hennes

Bugnet

et al. 2019

Adv Materials Inter

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Vertically aligned nanocomposites (VANs) of metal/oxide type have recently emerged as a novel class of heterostructures with great scientific and technological potential in the fields of nanomagnetism, multiferroism, and catalysis. One of the salient features of these hybrid materials is their huge vertical metal/oxide interface, which plays a key role in determining the final magnetic and/or transport properties of the composite structure. However, in contrast to their well‐studied planar counterparts, detailed information on the structural features of vertical interfaces encountered in VANs is scarce. In this work, high resolution scanning transmission electron microscopy (STEM) and electron energy‐loss spectroscopy (EELS) are used to provide an element selective atomic‐scale analysis of the interface in a composite consisting of ultrathin, self‐assembled Ni nanowires, vertically epitaxied in a SrTiO3/SrTiO3(001) matrix. Spectroscopic EELS measurements evidence rather sharp interfaces (6–7 Å) with the creation of metallic NiTi bonds and the absence of nickel oxide formation is confirmed by X‐ray absorption spectroscopy measurements. The presence of these well‐defined phase boundaries, combined with a large lattice mismatch between the oxide and metallic species, gives rise to pronounced magnetoelastic effects. Self‐assembled columnar Ni:SrTiO3 composites thus appear as ideal model systems to explore vertical strain engineering in metal/oxide nanostructures.

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Section: Resultsmentioning

confidence: 74%

Section: Resultsmentioning

confidence: 92%

Atomic‐Scale Study of Metal–Oxide Interfaces and Magnetoelastic Coupling in Self‐Assembled Epitaxial Vertically Aligned Magnetic Nanocomposites

Radtke

Hennes

Bugnet

et al. 2019

Adv Materials Inter

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show abstract

“…[34] However, -Fe 2 O 3 and Fe 3 O 4 can be additionally differentiated by electron energy loss spectroscopy (EELS). [35] In the case of the large NPs shown in Figure 3c, the experimental EELS spectrum shows the typical features of -Fe 2 O 3 , which are a double peak in the O K-edge and a shoulder in the Fe L 2,3 edge Figure 3e. Knowing the stoichimetry, selected area is used to determine the structure of the same NP.…”

Section: Resultsmentioning

confidence: 90%

All‐Optical Nanoscale Heating and Thermometry with Resonant Dielectric Nanoparticles for Controllable Drug Release in Living Cells

Zograf

Timin

Muslimov

et al. 2020

Laser & Photonics Reviews

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All‐dielectric nanophotonics becomes a versatile tool for various optical applications, including nanothermometry and optical heating. Its general concept includes excitation of Mie resonances in nonplasmonic nanoparticles. However, the potential of resonant dielectric nanoparticles in drug delivery applications still has not been fully realized. Here, optically resonant dielectric iron oxide nanoparticles (α‐Fe2O3 NPs) are employed for remote rupture of microcontainers used as a drug delivery platform. It is theoretically and experimentally demonstrated that α‐Fe2O3 NPs have several advantages in light‐to‐heat energy conversion comparing to previously used materials, such as noble metals and silicon, due to the broader spectral range of efficient optical heating, and in enhancement of thermally sensitive Raman signal. The α‐Fe2O3 NPs embedded into the wall of universal drug carriers, polymer capsules, are used to experimentally determine the local temperature of the capsule rupture upon laser irradiation (170 °C). As a proof of principle, the delivery and remote release of anticancer drug vincristine upon lowered laser irradiation (4.0× 104 W cm−2) using polymer capsules modified with the α‐Fe2O3 NPs is shown. The biological tests are performed on two primary cell types: i) carcinoma cells, as an example of malignant tumor, and ii) human stem cells, as a model of healthy cells.

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“…5 To the authors' knowledge, open reference databases usually contain at most hundreds of XAS spectra. For example, the electron energy-loss spectroscopy (EELS) database 8 initiated in the 1990s contains 271 spectra, but only 21 of which are XAS spectra and 17 of which are K-edge spectra. EELS is theoretically equivalent to X-ray absorption 9 under common acquisition conditions, but is of lower quality in terms of signal to noise ratio and energy resolution.…”

Section: Introductionmentioning

confidence: 99%

Automated generation and ensemble-learned matching of X-ray absorption spectra

et al. 2018

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X-ray absorption spectroscopy (XAS) is a widely used materials characterization technique to determine oxidation states, coordination environment, and other local atomic structure information. Analysis of XAS relies on comparison of measured spectra to reliable reference spectra. However, existing databases of XAS spectra are highly limited both in terms of the number of reference spectra available as well as the breadth of chemistry coverage. In this work, we report the development of XASdb, a large database of computed reference XAS, and an Ensemble-Learned Spectra IdEntification (ELSIE) algorithm for the matching of spectra. XASdb currently hosts more than 800,000 K-edge X-ray absorption near-edge spectra (XANES) for over 40,000 materials from the open-science Materials Project database. We discuss a high-throughput automation framework for FEFF calculations, built on robust, rigorously benchmarked parameters. FEFF is a computer program uses a real-space Green's function approach to calculate X-ray absorption spectra. We will demonstrate that the ELSIE algorithm, which combines 33 weak "learners" comprising a set of preprocessing steps and a similarity metric, can achieve up to 84.2% accuracy in identifying the correct oxidation state and coordination environment of a test set of 19 K-edge XANES spectra encompassing a diverse range of chemistries and crystal structures. The XASdb with the ELSIE algorithm has been integrated into a web application in the Materials Project, providing an important new public resource for the analysis of XAS to all materials researchers. Finally, the ELSIE algorithm itself has been made available as part of veidt, an open source machine-learning library for materials science.npj Computational Materials (2018) 4:12 ; doi:10.1038/s41524-018-0067-x INTRODUCTION X-ray absorption spectroscopy (XAS) is a widely used technique in the study of the properties, physical states, and local environments of materials.1-3 When incident X-ray photons with energy greater than the binding energy are absorbed by an atom, a corelevel electron is removed from its quantum level. In XAS, the absorption coefficient, μ(E) is measured as a function of X-ray energy E. Detailed descriptions of X-ray absorption theory and equation have been included in many excellent books and review papers.

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A Complete Overhaul of the Electron Energy-Loss Spectroscopy and X-Ray Absorption Spectroscopy Database: eelsdb.eu

Cited by 91 publications

References 41 publications

Atomic‐Scale Study of Metal–Oxide Interfaces and Magnetoelastic Coupling in Self‐Assembled Epitaxial Vertically Aligned Magnetic Nanocomposites

Atomic‐Scale Study of Metal–Oxide Interfaces and Magnetoelastic Coupling in Self‐Assembled Epitaxial Vertically Aligned Magnetic Nanocomposites

All‐Optical Nanoscale Heating and Thermometry with Resonant Dielectric Nanoparticles for Controllable Drug Release in Living Cells

Automated generation and ensemble-learned matching of X-ray absorption spectra

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