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April 25, 2026Energy Technology

A Comprehensive Thermoelectric Performance of Li‐Based Double Perovskites Na 2 LiMF 6 (M = Rh, Ir) for Sustainable Energy Applications via Density Functional Theory Approach

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Authors

YWYuan WeiAAAli B. M. AliPKPreeti Kumari

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Overview

Randomized trial evaluates thermoelectric properties of Na2LiMF6 in sustainable applications, indicating promising features.

Key Points

  • This study aims to assess the thermoelectric performance of Na2LiMF6 double perovskites for energy applications.
  • Density functional theory approach using full‐potential linearized augmented plane wave methodology
  • Semi‐classical Boltzmann transport theory to evaluate thermoelectric properties
  • Computed elastic constants to assess mechanical stability and anisotropy
  • Cubic phase stability confirmed with a tolerance factor of 0.92
  • High room temperature power factors indicate strong potential for thermoelectric applications
  • Mechanical evaluations show materials are ductile, anisotropic, and mechanically stable

Cite This Study

Wei et al. (2026) studied this question.

synapsesocial.com/papers/69ec5ac988ba6daa22dac5c0https://doi.org/10.1002/ente.202502472
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