scholarly journals Catalytic Fe-Oxo Clusters Stabilized on the MOF-808 Metal Organicframework for the Degradation of Water Pollutants

2020 ◽  
Author(s):  
Celia Castillo-Blas ◽  
Ignacio Romero-Muñiz ◽  
Andreas Mavrandonakis ◽  
Laura Simonelli ◽  
Ana Eva Platero Prats
Keyword(s):  
Function Analysis ◽  
Computational Modelling ◽  
Scattering Data ◽  
X Ray ◽  
X Ray Scattering ◽  
Redox Active ◽  
Nanoporous Metal ◽  
Metal Organic ◽  
X Ray Absorption ◽  
Powerful Strategy

<p>Stabilizing catalytic iron-oxo-clusters within nanoporous metal-organic frameworks (MOF) is a powerful strategy to prepare new active materials for the degradation of toxic chemicals, such as bisphenol A. Herein, we combine pair distribution function analysis of total X-ray scattering data and X-ray absorption spectroscopy, with computational modelling to understand the local structural nature of added redox-active iron-oxo clusters bridging neighbouring zirconia-nodes within MOF-808.</p>

Catalytic Fe-Oxo Clusters Stabilized on the MOF-808 Metal Organicframework for the Degradation of Water Pollutants

2020 ◽  
Author(s):  
Celia Castillo-Blas ◽  
Ignacio Romero-Muñiz ◽  
Andreas Mavrandonakis ◽  
Laura Simonelli ◽  
Ana Eva Platero Prats
Keyword(s):  
Function Analysis ◽  
Computational Modelling ◽  
Scattering Data ◽  
X Ray ◽  
X Ray Scattering ◽  
Redox Active ◽  
Nanoporous Metal ◽  
Metal Organic ◽  
X Ray Absorption ◽  
Powerful Strategy

<p>Stabilizing catalytic iron-oxo-clusters within nanoporous metal-organic frameworks (MOF) is a powerful strategy to prepare new active materials for the degradation of toxic chemicals, such as bisphenol A. Herein, we combine pair distribution function analysis of total X-ray scattering data and X-ray absorption spectroscopy, with computational modelling to understand the local structural nature of added redox-active iron-oxo clusters bridging neighbouring zirconia-nodes within MOF-808.</p>

scholarly journals Operando X-ray scattering study of thermoelectric β-Zn4Sb3

IUCrJ ◽  
2020 ◽  
Vol 7 (1) ◽  
pp. 100-104
Author(s):  
Lasse Rabøl Jørgensen ◽  
Christian Moeslund Zeuthen ◽  
Kasper Andersen Borup ◽  
Martin Roelsgaard ◽  
Nils Lau Nyborg Broge ◽  
...  
Keyword(s):  
Structural Integrity ◽  
Function Analysis ◽  
Electrical Current ◽  
Operational Reliability ◽  
Operating Conditions ◽  
Scattering Data ◽  
X Ray ◽  
X Ray Scattering ◽  
Sample Decomposition ◽  
Ray Scattering

The application of thermoelectrics for energy harvesting depends strongly on operational reliability and it is therefore desirable to investigate the structural integrity of materials under operating conditions. We have developed an operando setup capable of simultaneously measuring X-ray scattering data and electrical resistance on pellets subjected to electrical current. Here, operando investigations of β-Zn4Sb3 are reported at current densities of 0.5, 1.14 and 2.3 A mm−2. At 0.5 A mm−2 no sample decomposition is observed, but Rietveld refinements reveal increased zinc occupancy from the anode to the cathode demonstrating zinc migration under applied current. At 1.14 A mm−2 β-Zn4Sb3 decomposes into ZnSb, but pair distribution function analysis shows that Zn2Sb2 units are preserved during the decomposition. This identifies the mobile zinc in β-Zn4Sb3 as the linkers between the Zn2Sb2 units. At 2.3 A mm−2 severe Joule heating triggers transition into the γ-Zn4Sb3 phase, which eventually decomposes into ZnSb, demonstrating Zn ion mobility also in γ-Zn4Sb3 under electrical current.

scholarly journals Local structural studies on Co doped ZnS nanowires by synchrotron X-ray atomic pair distribution function and micro-Raman shift

RSC Advances ◽  
2017 ◽  
Vol 7 (59) ◽  
pp. 37402-37411 ◽  
Author(s):  
U. P. Gawai ◽  
B. N. Dole
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Scattering Data ◽  
Raman Shift ◽  
X Ray ◽  
Atomic Structures ◽  
Atomic Pair Distribution Function ◽  
X Ray Scattering ◽  
Atomic Pair

The atomic structures of nanowires were studied by X-ray atomic pair distribution function analysis and total synchrotron X-ray scattering data. A PDF method was used to describe a wurtzite and zinc-blended mixed phase model.

scholarly journals Three-dimensional Pt-nanoparticle networks studied by anomalous small-angle X-ray scattering and X-ray absorption spectroscopy

2002 ◽  
Vol 35 (4) ◽  
pp. 459-470 ◽  
Author(s):  
T. Vad ◽  
H.-G. Haubold ◽  
N. Waldöfner ◽  
H. Bönnemann
Keyword(s):  
Small Angle ◽  
Structural Information ◽  
Hard Spheres ◽  
Multicomponent System ◽  
Three Dimensional ◽  
Scattering Data ◽  
X Ray ◽  
X Ray Scattering ◽  
X Ray Absorption ◽  
Ray Scattering

Anomalous small-angle X-ray scattering (ASAXS) experiments with synchrotron radiation were performed to study the three-dimensional nanostructures of metal/organic hybrids formed by crosslinking aluminium-organic-stabilized platinum nanoparticles with various bifunctional organic spacer molecules. The advantage of ASAXS is the possibility of separating the particle scattering from that of the organic components, thus providing unbiased information about particle size distributions and interparticle correlation. In order to obtain the structural information from the scattering data, a model function based on Vrij's analytical solution for a multicomponent system of hard spheres is proposed. The model is applied to three different samples and the results are compared with those obtained from the application of Fourier methods (characteristic function) and X-ray absorption measurements.

scholarly journals Structure of the amorphous titania precursor phase of N-doped photocatalysts

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8619-8627
Author(s):  
I. E. Grey ◽  
P. Bordet ◽  
N. C. Wilson
Keyword(s):  
Thermal Analyses ◽  
Real Space ◽  
Ammonia Solution ◽  
Scattering Data ◽  
X Ray ◽  
X Ray Scattering ◽  
Amorphous Titania ◽  
Precursor Phase ◽  
Titania Precursor ◽  
Titanyl Sulphate

Amorphous titania samples prepared by ammonia solution neutralization of titanyl sulphate have been characterized by chemical and thermal analyses, and with reciprocal-space and real-space fitting of wide-angle synchrotron X-ray scattering data.

scholarly journals Vibrational resonant inelastic X-ray scattering in liquid acetic acid: a ruler for molecular chain lengths

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Viktoriia Savchenko ◽  
Iulia Emilia Brumboiu ◽  
Victor Kimberg ◽  
Michael Odelius ◽  
Pavel Krasnov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Molecular Chain ◽  
X Ray ◽  
X Ray Scattering ◽  
Localized Excitations ◽  
Vibrational Excitations ◽  
Chain Lengths ◽  
X Ray Absorption ◽  
Ray Scattering

AbstractQuenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O–H bond, the spectra lack the typical progression of vibrational excitations observed in RIXS spectra of comparable systems. We interpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding, which however cannot be observed in x-ray absorption but only by means of RIXS. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length.

scholarly journals Backbonding contributions to small molecule chemisorption in a metal–organic framework with open copper(i) centers

2021 ◽  
Author(s):  
Gregory M. Su ◽  
Han Wang ◽  
Brandon R. Barnett ◽  
Jeffrey R. Long ◽  
David Prendergast ◽  
...  
Keyword(s):  
Fine Structure ◽  
Small Molecule ◽  
Metal Organic Framework ◽  
X Ray ◽  
Metal Site ◽  
Absorption Fine ◽  
Metal Organic ◽  
X Ray Absorption ◽  
Organic Framework

In situ near edge X-ray absorption fine structure spectroscopy directly probes unoccupied states associated with backbonding interactions between the open metal site in a metal–organic framework and various small molecule guests.

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