DFT study of the crystal structure, elastic and electronic properties of the phases: Ti2InC (1-x) Nx superconductor
A systematic study was conducted to investigate the effect of substituting C by N on the
crystal structure and elastic electronic properties in the Ti 2 InC (1-x) N x phases using the …
crystal structure and elastic electronic properties in the Ti 2 InC (1-x) N x phases using the …
Substitution effects on the structural, mechanical, electronic and electrochemical properties of lithium/sodium strontium stannate perovskite for battery applications
Tin-based perovskites are interesting compounds for storage systems containing Li/Na ions.
In addition, they have compact symmetries with high mechanical resistance. In this context …
In addition, they have compact symmetries with high mechanical resistance. In this context …
[HTML][HTML] First-principles study of the deformation and migration mechanisms of Li–La–Ti–O perovskite under uniaxial stress
We have investigated the deformation of and Li-ion migration in Li–La–Ti–O (LLTiO) under
various uniaxial stresses by first-principles calculations. Structural analysis showed after …
various uniaxial stresses by first-principles calculations. Structural analysis showed after …