Cu-Zn disorder in stoichiometric and non-stoichiometric Cu2ZnSnS4/Cu2ZnSnSe4

Order–disorder in grossly non-stoichiometric SrFeO2.50 — a simulation studyy

Configurational lattice energy techniques are used to investigate oxygen vacancy ordering and the order– disorder transition in SrFeO2.50 . Vacancy disorder is shown to present many new challenges, largely due to the extensive relaxation in such grossly non-stoichiometric systems. With large supercells it is not feasible to optimise each individual configuration. Efficient methods for choosing ...

Structural, Magnetic and Catalytic Properties of Non-Stoichiometric Lanthanum Ferrite Nano-Perovskites in Carbon Monoxide Oxidation

Perovskite-type oxides of LaFe(1+x)O(3+δ) (x = 0.0, 0.2, 0.5 and 0.7) were synthesized by citrate sol–gel methodto ensure the formation of nanosized perovskites. The physicochemical properties of these LaFe(1+x)O(3+δ)materials were characterized by thermal gravimetric/differential analyses, Fourier transform infraredspectroscopy, X-ray powder diffraction, scanning electron and...

Atomically precise interfaces from non-stoichiometric deposition.

Complex oxide heterostructures display some of the most chemically abrupt, atomically precise interfaces, which is advantageous when constructing new interface phases with emergent properties by juxtaposing incompatible ground states. One might assume that atomically precise interfaces result from stoichiometric growth. Here we show that the most precise control is, however, obtained by using d...

Hydrogen and deuterium diffusion in non-stoichiometric spinel

High pressure/temperature annealing experiments are used to determine diffusivities of H and D in non-stoichiometric spinel, a low-pressure analogue for nominally anhydrous minerals in Earth’s mantle. Data are fitted to the following Arrhenius law: Diffusivity (m/s) = 4 ± 1 × 10 exp(−54 ± 2 kJ mol/RT). At low temperatures, H and D diffusion in non-stoichiometric spinel is charge balanced by flu...

Stoichiometric Boron-Based Nanostructures