We studied the interaction of perfect and lightly reduced ceria (111) surfaces with hydrogen
and water molecules using density functional calculations implementing the generalized …

In this study, a series of vanadium doped magnetites (Fe3− xVxO4, 0≤ x≤ 0.34) was
synthesized by a precipitation–oxidation route and show good adsorption and catalytic …

At the onset of dissolution in water, cubic MgO smoke crystals present (110) cuts of the
edges of the cubes. Next,(111) facets progressively dominate the shape of the crystallites …

Global ab initio structure optimizations combined with statistical thermodynamics and
experimental studies reveal atomic structures of the ordered water monolayer on the MgO …

The magnesium hydroxide/magnesium oxide (Mg (OH) 2/MgO) system is a promising
chemical heat storage system that utilizes unused heat at the temperature range of 200 …

The origin of water in the inner Solar System is not well understood. It is believed that
temperatures were too high in the accretion disk in the region of the terrestrial planets for …

The structural, vibrational, energetic, and electronic properties of hydrogen at the
stoichiometric Ru O 2 (110) termination are studied using density-functional theory. The …

Low coverage water adsorption on alkaline-earth oxides is studied by first principles
methods and ab initio molecular dynamic simulations. On CaO and BaO (001), water …

The origins and significance of electron density in the chemical, biological, and materials
sciences Electron density is one of the fundamental concepts underlying modern chemistry …

As a secondary electron emission layer, an Al 2 O 3/MgO double-layer structure is fabricated
by atomic layer deposition (ALD) technology. The thickness range from 1 nm to 4 nm of the …