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The potential energy surface of LiBH4 is investigated by a ground-state search method based on simulated annealing and first-principles density functional theory calculations. A new stable orthogonal structure with Pnma symmetry is found, which is 9.66kJ/m ...
The nature of the Verwey transition in magnetite (Fe3O4) remains an unsolved puzzle after more than 60 years. Impurities and dopants present in magnetite can alter the Verwey transition temperature T-v as well as other physical characteristics of magnetite ...
Changes in the electronic structure of Yb, a material whose valence is modified under pressure, are observed with remarkable detail in x-ray absorption and emission data measured between ambient conditions and 20 GPa. These changes are reproduced by a theo ...
Rhodium thin film catalyst supported on YSZ solid electrolyte and interfaced with a dispersed TiO2 layer (Rh/TiO2/YSZ) exhibits the particular behavior of having two distinct stable states, an inactive (oxidized) and an active (metallic) state, with respec ...
The surface plasmon enhanced hyper-Rayleigh scattering light collected from an aqueous solution of gold nanorods is reported. A non negligible part of the signal is attributed to a photoluminescence background attributed to the electron–hole recombination ...
The very low temperature properties of two pyrochlore compounds, Yb2Ti2O7 and Gd2Sn2O7, were investigated using an ensemble of microscopic and bulk techniques. In both compounds, a first order transition is evidenced, as well as spin dynamics persisting do ...
Metal-organic coordination interactions are prime candidates for the formation of self-assembled, nanometer-scale periodic networks with room-temperature structural stability. We present X-ray photoelectron spectroscopy measurements of such networks at the ...
We have extended the range of the high-pressure optical spectroscopy to the far-infrared region keeping the accuracy of ambient-pressure experiments. The developed method offers a powerful tool for the study of pressure-induced phase transitions and electr ...
The synthesis and characterization of M-MCM-48 (M = Si, Ti, V, Cr, and Mn) materials have been carried out. These systems promote hydroxylation of phenol with 30% H2O2 and the hydroxylation activity is highest for Ti-MCM-48. Water appears to be a better so ...
