Theoretical study of thermoelectric properties of CeIr4P12 filled skutterudite for energy conversion

Theoretical study of thermoelectric properties of CeIr4P12 filled skutterudite for energy conversion

The structural, elastic, thermodynamic and thermoelectric characteristics of the CeIr4P12 skutterudite have been predicted for the first time by applying density functional theory and the semi-classical Boltzmann simulations. Firstly, the structural-magnetic stability was verified through ground-st...

Full description

Saved in:

Bibliographic Details
Main Authors:	M. Bouchenaki, L. I. Karaouzène, B. N. Brahmi, M. Kaid Slimane
Format:	Article
Language:	English
Published:	Institute for Condensed Matter Physics 2025-03-01
Series:	Condensed Matter Physics
Subjects:	DFT physical properties skutterudites transport properties numerical simulation thermoelectric propreties
Online Access:	https://cmpj2.icmp.lviv.ua/index.php/cmpj/article/view/127
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Thermal stability optimization of single-leg skutterudite-based thermoelectric devices based on lattice distortion effects
by: Hui Pan, et al.
Published: (2025-03-01)

Density Functional Theory (DFT) perspectives of thermoelectric transportation in Sr-doped LaCoO3
by: Zoha Afzal, et al.
Published: (2025-04-01)

Comparative simulation and experimental investigations on Ba1-xCaxTiO3 perovskites for optical and thermoelectric applications
by: Muhammad Tauseef Qureshi, et al.
Published: (2025-07-01)

First-principles investigation of structural, electronic, optical, and thermoelectric properties of Li2X (X = Te, Se, S) chalcogenides for energy and optoelectronic applications
by: Muhammad Uzair, et al.
Published: (2025-08-01)

First principles investigation of the structural, anisotropic mechanical, optical, thermodynamic, and thermoelectric properties of MF2 (M = Ca, Sr, Ba, Pb) fluorite minerals using density functional theory
by: V.A. Dabhi, et al.
Published: (2025-07-01)

Novel Tl2GeX6 (X=Cl,Br) double perovskites for solar cell, optoelectronic, and thermoelectric applications: A DFT investigation
by: Redi Kristian Pingak, et al.
Published: (2024-12-01)

Investigation of the physical properties and pressure-induced band gap tuning of Sr3ZBr3 (Z=As, Sb) for optoelectronic and thermoelectric applications: A DFT - GGA and mBJ studies
by: Md. Adil Hossain, et al.
Published: (2024-12-01)

High performance double perovskites of Cs2InAgBr6 and Cs2InAgCl6 structural electronic optical and thermoelectric properties for next generation photovoltaics
by: M. Fatmi, et al.
Published: (2025-07-01)

Insights into the optoelectronic and thermoelectric properties of lead-free Rb2NaIrF6 double perovskite compound: A first-principles study
by: Mwende Mbilo, et al.
Published: (2025-08-01)

Investigation of structural elastic electronic optical and thermoelectric properties of LiInS₂ and LiInTe₂ for optoelectronic and energy conversion
by: M. Fatmi, et al.
Published: (2025-07-01)

Strain-tunable electronic, optical and thermoelectric properties of two-dimensional Janus SbXI (X=S, Se, Te) monolayers: A first-principles study
by: Fredy Mamani Gonzalo, et al.
Published: (2025-07-01)

Elaboration of the Calculation Algorithm for the Load Diagram of a Thermoelectric Generator that Applies the Temperature Dependent Thermoelectric Layer Properties
by: Golubev R.O., et al.
Published: (2022-03-01)

Strain tuning of optical and thermoelectric properties of monolayer BAs
by: Raad Chegel
Published: (2025-05-01)

Magnetic and Thermoelectric Properties of Fe<sub>2</sub>CoGa Heusler Compounds
by: Tetsuji Saito, et al.
Published: (2025-01-01)

Influence of Sr doping on BaTiO3 properties: A combined DFT and experimental approach
by: Maria Khalil, et al.
Published: (2024-12-01)

A concise review on the progression of copper sulfide as a potential thermoelectric material: Synthesis and thermoelectric properties
by: Pooja Rawat, et al.
Published: (2025-01-01)

Exploring Anharmonicity-induced high thermoelectric performance in α-In2X3 (X=S, Se) monolayers
by: Victor José Ramirez Rivera, et al.
Published: (2025-01-01)

Thermoelectric Properties of the Colloidal Bi2S3-Based Nanocomposites
by: O.A.В Dobrozhan, et al.
Published: (2017-07-01)

First principles calculations of mechanical, electronic, thermoelectric and thermal properties of ZnCu
by: Shashit Kumar Yadav, et al.
Published: (2025-05-01)

Improvement of thermoelectric, hardness, and strength properties with Cu exchange in Zn-based ternary alloy
by: Canan Alper Billur
Published: (2024-01-01)

First-principles calculations to investigate structural, electronic, magnetic, thermodynamic, and thermoelectric properties of RbSrZ (Z = Ge and Sn) d0-d0 half-Heuslers for renewable energy applications
Published: (2025-01-01)

Systematic investigation of charge transport and thermoelectric properties in semicrystalline polymers: electrochemical doping effects on doping level and temperature dependence using one sample
by: Shun-Ichiro Ito, et al.
Published: (2025-01-01)

Thermoelectric Properties of Oblique SiGe Whiskers
by: A. Druzhinin, et al.
Published: (2016-06-01)

Research Progress of Thermoelectric Materials—A Review
by: Jun Wang, et al.
Published: (2025-04-01)

Unraveling the Origin of Donor‐Like Effect in Bismuth–Telluride‐Based Thermoelectric Materials
by: Feng Liu, et al.
Published: (2025-03-01)

Effect of Composition on Optical and Thermoelectric Properties of Microstructured p-type (Bi2Te3)x(Sb2Te3)1 – x Alloys
by: K. Sharma, et al.
Published: (2014-04-01)

Three Optima of Thermoelectric Conversion: Insights from the Constant Property Model
by: Paul Raux, et al.
Published: (2025-02-01)

Thermoelectric response of graphite/Na1.4Co2O4 thermocouple on paper
by: Chandrababu Badampudi, et al.
Published: (2025-02-01)

Zintl germanides for thermoelectric applications: Insights from DFT and Boltzmann transport theory
by: Souraya Goumri-Said, et al.
Published: (2025-02-01)

Impact of O-H···π Hydrogen Bond on IR and NMR Parameters of Cannabidiol: Theoretical and Experimental Study
by: Aneta Buczek, et al.
Published: (2025-06-01)

Un autre XVIIIe. Socio-histoire d’un micro-quartier parisien, de 1880 à nos jours
by: Pierre Joffre
Published: (2024-12-01)

Progress and Prospect of Thermoelectric Refrigeration
by: Cao Haishan
Published: (2022-01-01)

Effect of hydrostatic pressure on opto-electronic, elastic and thermoelectric properties of the double perovskites Rb2SeX6(X=Cl,Br): a DFT study
by: A. A. Yahaya, et al.
Published: (2024-02-01)

Comparative high-pressure structural and electrical transport properties study of thermoelectric (Bi1-xSbx)2Te3 compounds
by: Chenxin Wei, et al.
Published: (2025-07-01)

Experimental Study of the Thermoelectric Conversion Characteristics of a Device Combining a TPCT and TGs
by: Haining Qi, et al.
Published: (2025-03-01)

Structural, electronic, magnetic, optical and thermoelectric properties of ferromagnetic double perovskites K2ScCoX6 (X = F, Cl): A first-principles study
by: Vineet Tirth, et al.
Published: (2024-12-01)

Kinetic Phenomena and Thermoelectric Properties of Polycrystalline Thin Films Based on PbSnAgTe Compounds
by: M.A.В Ruvinskii, et al.
Published: (2017-10-01)

MODELING AND THEORETICAL RESEARCH OF THERMOELECTRIC SYSTEM FOR INTRACOLAR HYPOTHERMIA
by: O. V. Evdulov, et al.
Published: (2019-06-01)

Magnetics for Thermoelectric Enhancement
by: Yixuan Hu, et al.
Published: (2025-06-01)

Revealing unipolar thermoelectric performance in bipolar polymer
by: Ma Yingqiao, et al.
Published: (2025-03-01)