The neutral oxygen vacancy (OV) energy formation for bulk, subsurface sites at different depths from the surface and various surface sites has been estimated for single crystals, unsupported ultrathin films of MgO, CaO, and BaO, and MgO ultrathin films supported on Ag(001). From the calculated energy barriers for diffusion through the surface and from the surface to the bulk it is found that di...

Using density-functional perturbation theory, we have studied lattice dynamics, dielectric and thermodynamic properties, and P – T stability fields of the NaCl~‘‘B1’’! and CsCl~‘‘B2’’! structured phases of MgO. The results compare well with available experiments and resolve the controversy between earlier theoretical studies of the phase diagram of MgO. We predict that at all conditions of the ...

BACKGROUND/AIM Delayed wound healing is a common skin complication of diabetes, which is associated with keratinocyte injury and dysfunction. Levels of methylglyoxal (MGO), an α-dicarbonyl compound, are elevated in diabetic skin tissue and plasma, while levels of hydrogen sulfide (H2S), a critical gaseous signaling molecule, are reduced. Interestingly, the gas has shown dermal protection in our...

Various structures of Cu (50 nm)/Ru (2 nm)/MgO (0.5-3 nm)/Ta (2 nm)/Si were prepared by sputtering and electroplating techniques, in which the ultra-thin trilayer of Ru (2 nm)/MgO (0.5-3 nm)/Ta (2 nm) is used as the diffusion barrier against the interdiffusion between Cu film and Si substrate. The various structures of Cu/Ru/MgO/Ta/Si were characterized by four-point probes for their sheet resi...

Hypoxia-inducible factor-1 (HIF-1) plays a key role in cell adaptation to low oxygen and stabilization of HIF-1 is vital to ensure cell survival under hypoxia. Diabetes has been associated with impairment of the cell response to hypoxia and downregulation of HIF-1 is most likely the event that transduces hyperglycemia into increased cell death in diabetes-associated hypoxia. In this study, we a...

Heterogeneous reaction of carbonyl sulfide (OCS) on magnesium oxide (MgO) under ambient conditions was investigated by in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), quadrupole mass spectrometer (QMS), and density functional theory (DFT) calculations. It reveals that OCS can be catalytically hydrolyzed by surface hydroxyl on MgO to produce carbon dioxide (CO2) and...

MD simulations with pairwise potential on MgO and MgSiO3 vacancies pair were conducted to obtain the Newtonian viscosity of lower mantle. The results of MgO are such that the viscosity of the upper half portion in the lower mantle shows uniform structure but in the lower half it rapidly decreases to the core mantle boundary by two order of magnitude. On the other hand, the viscosity of MgSiO3 p...

Rocky planets are thought to comprise compounds of Mg and O as these are among the most abundant elements, but knowledge of their stable phases may be incomplete. MgO is known to be remarkably stable to very high pressure and chemically inert under reduced condition of the Earth's lower mantle. However, in exoplanets oxygen may be a more abundant constituent. Here, using synchrotron x-ray diffr...

Periclase (MgO) is the second most abundant mineral after bridgmanite in the Earth's lower mantle, and its melting behaviour under pressure is important to constrain rheological properties and melting behaviours of the lower mantle materials. Significant discrepancies exist between the melting temperatures of MgO determined by laser-heated diamond anvil cell (LHDAC) and those based on dynamic c...

We investigate the bilinear and biquadratic interlayer exchange coupling in Co/Fe/MgO/Fe(001). Samples are grown through molecular beam epitaxy and the interlayer exchange coupling is measured through magneto-optic Kerr effect along wedge samples. By varying the location of Fe impurities between the interface and middle of the MgO spacer, we find that the couplings are enhanced and are dependen...