The three samples of orthorhombic (Pnma) C e S c O 3, C e T i O 3, and C e VO 3
compounds have been studied by using DFT. To effectively analyse the structural …

Topological materials, such as topological semimetals and topological insulators, with
robust topological surface states have bright application prospects in electrochemical …

Abstract Ternary nitrides ZnGeN 2 and CdGeN 2 were computationally investigated under
uniaxial compressions in [100] direction using first principles calculations. Phase transition …

In this work, we report evidence of pressure-induced changes in the crystal structure of Sr
(IO 3) 2 HIO 3 connected to changes the coordination of the iodine atom and the of the …

The structural and electrical transport properties of MnPS 3 are studied under extreme
pressure up to 55 GPa using first-principles calculations and in situ high-pressure electrical …

In the presented work, the structure dependence as well as luminescence features of a wide
range of hybrid crystals based on lead halides and a homologous series of alkyl diamines …

Cuprous oxide (Cu 2 O) is a highly promising semiconductor with exceptional visible-light
photocatalytic activity, and its nanoparticles have significant implications for promoting the …

HoF3 crystals of varying sizes and morphologies were synthesized by controlling the
amount of water. As the water content gradually decreased, the size of the crystals reduced …

Although indium vanadate (InVO 4) is an excellent n-type semiconductor, a controlled n-type
carrier concentration of the InVO 4 photocatalyst is required to enhance its photocatalytic …

The structural stability, electronic and mechanical attributes of the tetragonal carbon (tP8)
allotrope at high-pressure are examined in the proposed research. The crystal structure of …