The strongly constrained and appropriately normed (SCAN) functional of density functional
theory (DFT) conforms to all possible exact constraints required of a meta-GGA functional …

We report on the effect of Ce 4+ doping on the thermoelectric properties of Bi 2− x Ce x O 2
Se (0≤ x≤ 0.15). Bi 2− x Ce x O 2 Se crystallizes in the tetragonal crystal structure (I4/mmm …

To probe the applications in spintronics and sustainable energy devices of ZnMn 2 X 4 (X=
S, Se, Te) spinels, their structural, elastic, electronic and thermoelectric properties have …

Abstract The effects of Sulfur, Selenium or Tellurium-doped AZrO 3 (A= Ca, Ba and Sr) on
electronic and optical properties have been investigated using ab initio calculations. We can …

Structural and electrophysical diversity in doped proton conductors (PCs) pacifies the
operational efficiency of energy conversion devices. Inflexions in M—O and O–H bond …

High infrared radiation materials have crucial applications in energy saving, heat
conversion, and heat dissipation. SrZrO 3 (SZO) is a potential material for high infrared …

BaZrO 3 with the ABO 3 perovskite structure can be doped at the A or B sites to obtain the
corresponding properties. In this study, BaZrO 3 was doped with Ca 2+, Sr 2+, Ti 4+, and Ce …

Using ab-initio simulations, we have investigated the magnetic and thermoelectric response
of the pristine and Mn-, Ni-, and In-doped BaGeO 3 at Ge-site. The dopants Mn, Ni, and In …

Abstract The La 1-x Ce x BaCo 2 O 5 (x= 0.05, 0.1, 0.15, 0.2) thermosensitive ceramics with
negative temperature coefficient (NTC) were synthesized using a conventional solid-phase …

Controlling the spin degree of freedom in electronics paves the way for novel approaches to
employ, relocate, and store data at accelerated rates. In this regard, an in-depth examination …