Studying supercapacitance and thermoelectric performance of semiconductor BaTiO3 along with its halfmetal alloy of BaTiFO2: A DFT+ U investigation
In the present work, the electrical, supercapacitance, and thermoelectric properties of BaTiO
3 semiconductor perovskite and its alloy with F atoms (in replacement of one of the O atoms) …
3 semiconductor perovskite and its alloy with F atoms (in replacement of one of the O atoms) …
Amorphous-like thermal conductivity and high thermoelectric figure of merit in “π” SnS and SnSe
We present a detailed first-principles characterisation of the thermoelectric performance of
the cubic “π” phases of SnS and SnSe. The complex structures push the “particle-like” …
the cubic “π” phases of SnS and SnSe. The complex structures push the “particle-like” …
Thermoelectric properties of the low-spin lanthanide cobalate perovskites LaCoO 3, PrCoO 3, and NdCoO 3 from first-principles calculations
An ab initio modelling workflow is used to predict the thermoelectric properties and figure of
merit ZT of the lanthanide cobalates LaCoO3, PrCoO3 and NdCoO3 in the orthorhombic …
merit ZT of the lanthanide cobalates LaCoO3, PrCoO3 and NdCoO3 in the orthorhombic …
Thermoelectric properties of the bismuth oxychalcogenides Bi2SO2, Bi2SeO2 and Bi2TeO2
We present a detailed theoretical study of the thermoelectric properties of the bismuth
oxychalcogenides Bi 2 ChO 2 (Ch= S, Se, Te). The electrical transport is modelled using …
oxychalcogenides Bi 2 ChO 2 (Ch= S, Se, Te). The electrical transport is modelled using …
Computational Modeling of Electronic, Valence Band Offset, and Thermoelectric Transport Properties of SrTiO3/LaCrO3 Heterostructures
I Soli, M Zemzemi, B Agoubi, O Khaldi… - Journal of Electronic …, 2024 - Springer
The emergence of new functionalities in transition metal oxides and their interfaces poses
an important challenge. Many recent discoveries regarding the polar/nonpolar interface …
an important challenge. Many recent discoveries regarding the polar/nonpolar interface …
Realizing Record High Properties in N-Type Catio3-Based Thermoelectric Materials
B Fang, J Li, Y Fu, J Zhao, M Du, H Kang… - Available at SSRN … - papers.ssrn.com
CaTiO3-based materials, characterized by low cost, low pollution, high abundance of
resources, and excellent thermal stability, are competitive candidates for thermoelectric …
resources, and excellent thermal stability, are competitive candidates for thermoelectric …