<i>IFEFFIT</i> : interactive XAFS analysis and <i>FEFF</i> fitting

Newville, Matthew

doi:10.1107/s0909049500016964

Cited by 2,879 publications

(2,157 citation statements)

References 4 publications

Supporting

Mentioning

2,105

Contrasting

Unclassified

Order By: Relevance

“…The XANES and extended X-ray absorption fine structure (EXAFS) data processing and analysis were performed using the IFEFFIT package 32 . The EXAFS data modelling and analysis were performed using standard procedures [32][33][34][35][36] .…”

Section: Methodsmentioning

confidence: 99%

Catalysis on singly dispersed bimetallic sites

et al. 2015

View full text Add to dashboard Cite

A catalytic site typically consists of one or more atoms of a catalyst surface that arrange into a configuration offering a specific electronic structure for adsorbing or dissociating reactant molecules. The catalytic activity of adjacent bimetallic sites of metallic nanoparticles has been studied previously. An isolated bimetallic site supported on a non-metallic surface could exhibit a distinctly different catalytic performance owing to the cationic state of the singly dispersed bimetallic site and the minimized choices of binding configurations of a reactant molecule compared with continuously packed bimetallic sites. Here we report that isolated Rh 1 Co 3 bimetallic sites exhibit a distinctly different catalytic performance in reduction of nitric oxide with carbon monoxide at low temperature, resulting from strong adsorption of two nitric oxide molecules and a nitrous oxide intermediate on Rh 1 Co 3 sites and following a low-barrier pathway dissociation to dinitrogen and an oxygen atom. This observation suggests a method to develop catalysts with high selectivity.

show abstract

Section: Methodsmentioning

confidence: 99%

Catalysis on singly dispersed bimetallic sites

et al. 2015

View full text Add to dashboard Cite

show abstract

“…Data processing and analysis were performed with the Athena and Artemis software package using IFEFFIT. [15,16] The background was removed using the AUTOBK and flattening algorithm implemented in Athena. The pre-edge background was linearly subtracted from 150 to 30 eV below the edge and a three-term polynomial function was used for the post-edge background subtraction over the range 150 to 900 eV above the edge.…”

Section: Methodsmentioning

confidence: 99%

The First One‐Pot Synthesis of Metal–Organic Frameworks Functionalised with Two Transition‐Metal Complexes

Platero‐Prats

Gómez

Samain

et al. 2014

Chemistry A European J

View full text Add to dashboard Cite

The synthesis of a metal-organic framework (UiO-67) functionalised simultaneously with two different transition metal complexes (Ir and Pd or Rh) through a one-pot procedure is reported for the first time. This has been achieved by an iterative modification of the synthesis parameters combined with characterisation of the resulting materials using different techniques, including X-ray absorption spectroscopy (XAS). The method also allows the first synthesis of UiO-67 with a very wide range of loadings (from 4 to 43 mol %) of an iridium complex ([IrCp*(bpydc)(Cl)Cl] 2À ; bpydc = 2,2'-bipyridine-5,5'-dicarboxylate, Cp* = pentamethylcyclopentadienyl) through a pre-functionalisation methodology.

show abstract

“…Uranium EXAFS scans were processed using the computer programs Athena [6,31,32], SixPACK [33], and Feff7 [34] (Supporting Information). The conceptual physical model of uranium in these systems consists of three components: uranium is either i) adsorbed to Fe (hydr)oxide surfaces, ii) incorporated into Fe (hyrd)oxide structure, or iii) reduced to U(IV) as UO 2(s) .…”

Section: Solid Phase Analysismentioning

confidence: 99%

Incorporation of Oxidized Uranium into Fe (Hydr)oxides during Fe(II) Catalyzed Remineralization

Nico

Stewart

Fendorf

2009

Environ. Sci. Technol.

119

132

View full text Add to dashboard Cite

The form of solid phase U after Fe(II) induced anaerobic remineralization of ferrihydrite in the presence of aqueous and absorbed U(VI) was investigated under both abiotic batch and biotic flow conditions. Experiments were conducted with synthetic ground waters containing 0.168 mM U(VI), 3.8 mM carbonate, and 3.0 mM Ca 2+ . In spite of the high solubility of U(VI) under these conditions, appreciable removal of U(VI) from solution was observed in both the abiotic and biotic systems. The majority of the removed U was determined to be substituted as oxidized U (U(VI) or U(V)) into the octahedral position of the goethite and magnetite formed during ferrihydrite remineralization. It is estimated that between 3% and 6% of octahedral Fe(III) centers in the new Fe minerals were occupied by U(VI). This site specific substitution is distinct from the non-specific U co-precipitation processes in which uranyl compounds, e.g. uranyl hydroxide or carbonate, are entrapped with newly formed Fe oxides. The prevalence of site specific U incorporation under both abiotic and biotic conditions and the fact that the produced solids were shown to be resistant to both extraction (30 mM KHCO 3 ) and oxidation (air 2 for 5 days) suggest the potential importance of sequestration in Fe oxides as a stable and immobile form of U in the environment.

show abstract

IFEFFIT : interactive XAFS analysis and FEFF fitting

Cited by 2,879 publications

References 4 publications

Catalysis on singly dispersed bimetallic sites

Catalysis on singly dispersed bimetallic sites

The First One‐Pot Synthesis of Metal–Organic Frameworks Functionalised with Two Transition‐Metal Complexes

Incorporation of Oxidized Uranium into Fe (Hydr)oxides during Fe(II) Catalyzed Remineralization

Contact Info

Product

Resources

About