Themed collection Hard X-rays and the Frontiers of Materials Chemistry

This themed issue presents applications of high energy X-rays to fundamental and industrially applicable materials chemistry, with an emphasis on in situ and time-resolved studies in demanding sample environments.

Spatially-resolved PDF studies indicate that electrochemical reactions proceed non-uniformly through a Li-ion battery electrode, being most advanced near the electrode–electrolyte interface.

Synchronization of Cu and Ce valence change in Cu/CeO₂ under periodic operation can improve the catalytic NO reduction.

Fischer–Tropsch (FT) synthesis is an important process to manufacture hydrocarbons and oxygenated hydrocarbons from mixtures of carbon monoxide and hydrogen (syngas).

The structure of a lead silicate glass, 80PbO·20SiO₂, with extremely high lead content is studied by high energy X-ray and neutron diffraction, and empirical structural modelling, in order to reveal details of the plumbite based glass network and electron lone-pair distribution.

The reversible PdO → Pd⁰ transformation in a Pd/Al₂O₃ catalyst is investigated using in situ PDF and Pd K-edge XAS techniques. These studies reveal the presence of residual PdO, of the order ca. 30%, at high temperatures.

X-ray absorption spectroscopy and X-ray diffraction are combined with a modulated excitation approach to enhance their sensitivity towards subtle structural changes in working catalysts.

K-edge XANES spectra at very high energy have been found to provide accurate structural information on the coordination geometry of lanthanoid ions.

Advanced manipulation techniques used to study the PDF’s of mesoporous hematite and eskolaite provide insight into long range order breakdown.

Structural changes in liquids between Al₂O₃ and Y₂O₃ are investigated as a function of the composition and during supercooling using high energy X-ray diffraction (HEXRD) combined with containerless aerodynamic levitation and many-body molecular dynamics simulation.

The pair distribution function is a reliable tool to determine sizes of ultrafine nanocrystals (below 8 nm) which makes observation of early stages of crystallization possible.

Combination of high-energy X-ray and neutron diffraction reveals the complexity of the short and intermediate range order in Ge_xS_1−x glasses, ⅓ ≤ x ≤ 0.47.

Time resolved X-ray measurements on liquid SiO₂ show subtle changes in structure around the glass transition and reported density maximum.

In this article the photoluminescence of europium doped thiosilicate phosphors is correlated to the incorporation and valence state of the dopant ions, as studied by X-ray absorption spectroscopy.

High energy, time and space resolved X-ray diffraction reveals different behaviour in different parts of a methanol to gasoline reactor.

The behaviour of the Pd phase in three way catalysts (TWCs) having a Ce–Zr oxide as a promoter component has been examined under CO/NO cycling conditions.

For ultrasmall CdSe nanoparticles smaller than 2 nm, the average structure is significantly modified from that of larger particles and the bulk.

Rare-earth co-doping in inorganic materials has a long-held tradition of facilitating highly desirable optoelectronic properties for their application to the laser industry.

The reaction kinetics of low-CO₂ cements (geopolymers) are investigated using in situ X-ray pair distribution function analysis, revealing important mechanistic details regarding the role of free silica in the activator.

The ‘breathing’ metal organic framework MIL-53 effectively adsorbs sulfur-containing heterocycles with an expansion of its structure; the selectivity of uptake of guests has been monitored using time-resolved energy-dispersive X-ray diffraction.

The promoting effect of SO₂ on the activity for methane oxidation over platinum supported on silica, alumina and ceria has been studied using a flow-reactor, in situ infrared spectroscopy and in situ high-energy X-ray diffraction experiments.

The formation mechanism and kinetics of the Cu–Cr layered double hydroxide have been explored using in situ synchrotron X-ray diffraction and quenching studies.

PDF study on doped ceria under operating conditions revealed that the dopant retains its local environment as in its pure oxide.

Ferroelasticity in Ba₂GdMoO₆ is manifest in synchrotron X-ray diffraction patterns as diffuse scattering between diffraction peaks below 220 K ((b) and (c)).

Results of high-energy X-ray diffraction experiments coupled to atomic pair distribution function analysis of disordered low-Z materials are presented.

The NbO₆ octahedron is distorted with three Nb–O distances for glasses of Nb₂O₅ content ≤0.2 and it changes above that.