In this work, we present a density-functional theory (DFT) investigation of the phase stability, electrochemical stability and phase transformation mechanisms of the layered and over-lithiated Mn oxides. This study includes the thermodynamic stability of Li and oxygen vacancies, to examine the electrochemical activation mechanisms of these cathode materials. The DFT calculations provide phase d...

Although high carbon martensitic steels are well known for their industrial utility in high abrasion and extreme operating environments, due to their hardness and strength, the compressive stability of their retained austenite, and the implications for the steels' performance and potential uses, is not well understood. This article describes the first investigation at both the macro and nano sc...

the nanostructured anatase tio2 with high thermal stability was prepared by polymeric sol-gel method without any additives. the particle size distribution of polymeric titania sol was determined by dynamic light scattering (dls). then properties of obtained titania were investigated by tg-dta, xrd, fesem and tem. also, the decolorization capability of resultant anatase was evaluated using methy...

Highly active and robust eletcrocatalysts based on earth-abundant elements are desirable to generate hydrogen and oxygen as fuels from water sustainably to replace noble metal materials. Here we report an approach to synthesize porous hybrid nanostructures combining amorphous nickel-cobalt complexes with 1T phase molybdenum disulfide (MoS2) via hydrazine-induced phase transformation for water s...

We investigate ice polyamorphism in the context of the two-dimensional Mercedes-Benz model of water. We find a first-order phase transition between a crystalline phase and a high-density amorphous phase. Furthermore, we find a reversible transformation between two amorphous structures of high and low density; however, we find this to be a continuous and not an abrupt transition, as the low-dens...

the early cytokines production in response to live logarithmic and stationary phase promastigotes of leishmania major was examined on the peripheral blood cells of the healthy individuals. whole blood cultures were stimulated by either logarithmic or stationary phase promastigotes. ifn- and il-10 productions were assessed by specific sandwich elisa. the results showed that the logarithmic prom...

nano-sized titanium dioxide tio2 powder was prepared by new wet chemical route from its precursor titanium (iv) chloride (ticl4) as precursor with isopropoxy alcohol in presence of nitric acid under ambient condition. their morphologies, phase compositions and components of the tio2 nanoparticles were characterized by transmission electron microscopy (tem), field emission scanning electron micr...

Composition dependence of Young’s modulus in Ti-V and Ti-Nb binary alloys and Sn-added ternary alloys quenched from phase region was investigated at room temperature in relation to the stability of phase. A minimum of Young’s modulus in the binary alloys appears at such a composition that athermal ! phase transformation is almost completely suppressed. Formation of isothermal ! phase by aging a...