The effect of indium doping within ZnO-NRs nanorods on FTO substrates was studied using
integrated theory and experiments. The electrochemical deposited In-ZnO NRs were …

The structural, electronic and mechanical properties of alkaline earth metal oxides MO (M=
Be, Mg, Ca, Sr, Ba) in the cubic (B1, B2 and B3) phases and in the wurtzite (B4) phase are …

This research work presents a computational investigation of hafnium (IV) oxide and its
crystals doped by Si, Ge and Sn atoms, replacing the oxygen atom in HfO2. Hafnium (IV) …

Ceramic photocatalysts have become a focus of several research works in the
sonochemistry community owing to their potential for enhancing the degradation of organic …

Atomic scale simulations are used to predict how excess oxygen is accommodated across
the group II monoxides. In all cases, the preference is to form a peroxide ion centered at an …

Hydration and oxidation of gadolinium-doped barium cerate, a system with highly promising
properties when used as electrolyte for protonic ceramic fuel cells, are investigated by …

Transition metals (TMs) implanted in oxides with rock-salt crystal structures (for example
MgO and BaO) are assumed to substitute cations (Mg in case of MgO) from the lattice sites …

Lattice thermal conductivity (κ latt) is an important physical parameter for understanding the
thermal transport and dynamics evolution. Here, we calculate κ latt of alkaline earth metal …

In this work, we focus on the structural and electronic properties of lanthanum mono-nitrides
under high pressure. Based on first-principles calculations and crystal structure predictions …

In situ high-pressure X-ray powder diffraction experiments on LaN up to 60.1 GPa at ambient
temperature in a diamond-anvil cell revealed a reversible, first-order structural phase …