ATHENA,ARTEMIS,HEPHAESTUS: data analysis for X-ray absorption spectroscopy usingIFEFFIT

Ravel, Bruce; Newville, Matthew

doi:10.1107/s0909049505012719

Cited by 14,256 publications

(11,153 citation statements)

References 18 publications

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“…The Rietveld analysis of XRD was performed with RIETAN‐FP 18. The subtraction of the background and normalization of the XANES data were carried out by using IFEFFIT 24. The crystal structure was drawn using VESTA 3 25…”

Section: Methodsmentioning

confidence: 99%

Intercalation and Push‐Out Process with Spinel‐to‐Rocksalt Transition on Mg Insertion into Spinel Oxides in Magnesium Batteries

et al. 2015

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On the basis of the similarity between spinel and rocksalt structures, it is shown that some spinel oxides (e.g., MgCo2O4, etc) can be cathode materials for Mg rechargeable batteries around 150 °C. The Mg insertion into spinel lattices occurs via “intercalation and push‐out” process to form a rocksalt phase in the spinel mother phase. For example, by utilizing the valence change from Co(III) to Co(II) in MgCo2O4, Mg insertion occurs at a considerably high potential of about 2.9 V vs. Mg2+/Mg, and similarly it occurs around 2.3 V vs. Mg2+/Mg with the valence change from Mn(III) to Mn(II) in MgMn2O4, being comparable to the ab initio calculation. The feasibility of Mg insertion would depend on the phase stability of the counterpart rocksalt XO of MgO in Mg2X2O4 or MgX3O4 (X = Co, Fe, Mn, and Cr). In addition, the normal spinel MgMn2O4 and MgCr2O4 can be demagnesiated to some extent owing to the robust host structure of Mg1−xX2O4, where the Mg extraction/insertion potentials for MgMn2O4 and MgCr2O4 are both about 3.4 V vs. Mg2+/Mg. Especially, the former “intercalation and push‐out” process would provide a safe and stable design of cathode materials for polyvalent cations.

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Section: Methodsmentioning

confidence: 99%

Intercalation and Push‐Out Process with Spinel‐to‐Rocksalt Transition on Mg Insertion into Spinel Oxides in Magnesium Batteries

et al. 2015

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“…Detailed methods are described in the Supplementary Information. The XAFS spectra were analyzed with the program ATHENA and ARTEMIS of the software package DEMETER (or IFEFFIT) [37].…”

Section: Xafs Analysismentioning

confidence: 99%

Chromium immobilization by extra- and intraradical fungal structures of arbuscular mycorrhizal symbioses

Zhang

Sun

et al. 2016

Journal of Hazardous Materials

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“…The quantitative analysis of Cr K-edge XANES and EXAFS spectra was performed with the IFEFFIT program packages ATHENA and ARTEMIS (Ravel and Newville, 2005) using the FEFF6 code (Rehr et al, 1992) in which the photoelectron scattering paths were calculated ab initio from a presumed distribution of neighbour atoms.…”

Section: X-ray Absorption Spectroscopymentioning

confidence: 99%

Soil humic acids may favour the persistence of hexavalent chromium in soil

Leita

Margon

Pastrello

et al. 2009

Environmental Pollution

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The interaction between hexavalent chromium Cr(VI), as K 2 CrO 4 , and standard humic acids (HAs) in bulk solution was studied using three complementary analytical methods: UV-Visible spectroscopy, X-ray absorption spectroscopy and differential pulse stripping voltammetry. The observed UV-Vis and X-ray absorption spectra showed that, under our experimental conditions, HAs did not induce reduction of Cr(VI) to its trivalent chemical form. The interaction between Cr(VI) and HAs has rather led to the formation of Cr(VI)-HAs micelles via supramolecular chemical processes. The reported results could contribute towards explaining the relative persistence of ecotoxic hexavalent chromium in soils.

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ATHENA,ARTEMIS,HEPHAESTUS: data analysis for X-ray absorption spectroscopy usingIFEFFIT

Cited by 14,256 publications

References 18 publications

Intercalation and Push‐Out Process with Spinel‐to‐Rocksalt Transition on Mg Insertion into Spinel Oxides in Magnesium Batteries

Intercalation and Push‐Out Process with Spinel‐to‐Rocksalt Transition on Mg Insertion into Spinel Oxides in Magnesium Batteries

Chromium immobilization by extra- and intraradical fungal structures of arbuscular mycorrhizal symbioses

Soil humic acids may favour the persistence of hexavalent chromium in soil

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