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September 5, 2025RSC AdvancesOpen Access

The electronic structure, optical, and thermoelectric properties of novel Bi2PbCh4 (Ch = Se, Te) materials: insights from first-principles study

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Authors

MAMohannad Al‐HmoudImam Mohammad ibn Saud Islamic UniversityBGBanat GulUniversity of the SciencesMKMuhammad Salman KhanShenzhen University

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Overview

This research demonstrates the tunable electronic and thermoelectric properties of chalcogenides, suggesting potential for solar energy applications.

Key Points

  • Both Bi2PbSe4 and Bi2PbTe4 exhibit semiconductor behavior with direct band gaps of 1.12 eV and 1.08 eV, respectively.
  • Predicted energy gap values were determined using TB-mBJ and PBE-GGA methods, providing insights into their electronic properties.
  • Strong Bi-chalcogen bonding was identified in the valence band, contributing to their promising optical absorption characteristics.
  • These materials show exceptional thermoelectric potential, suitable for solar energy collection and conversion systems.

Cite This Study

Al-Hmoud et al. (2025) studied this question.

synapsesocial.com/papers/68bb42272b87ece8dc958e81https://doi.org/10.1039/d5ra03284a
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