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Enhanced Thermoelectric Performance in Li-Intercalated PdPS.

Weng Hou Yip1, Chan How Oh1, See Wee Koh2

  • 1Centre for Micro- and Nano-Electronics (CMNE), School of Electrical and Electronics Engineering, Nanyang Technological University, Singapore 639798, Singapore.

ACS Applied Materials & Interfaces
|March 9, 2026
PubMed
Summary
This summary is machine-generated.

Lithium intercalation significantly boosts thermoelectric performance in pentagonal palladium phosphorus sulfur (PdPS) 2D materials. This method enhances electrical conductivity and Seebeck coefficient, leading to a threefold increase in power factor for advanced thermoelectric applications.

Keywords:
2D materialsPdPSion intercalationpower factorthermoelectric

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Nanotechnology

Background:

  • Pentagonal 2D materials, such as penta-palladium-phosphorus-sulfur (PdPS), exhibit unique properties due to their Cairo pentagonal tiling.
  • Thermoelectric materials efficiently convert heat into electricity, but enhancing their performance remains a key challenge.
  • Chemical vapor transport (CVT) is a method for producing high-quality bulk crystals of layered materials.

Purpose of the Study:

  • To investigate the enhancement of thermoelectric properties in exfoliated PdPS layers via lithium intercalation (LixPdPS).
  • To systematically study the impact of varying Li+ intercalation stages on electrical conductivity and thermoelectric power factor.
  • To explore the temperature-dependent behavior of these properties from 20 to 380 K.

Main Methods:

  • Exfoliation of bulk LixPdPS crystals, produced by chemical vapor transport (CVT).
  • Systematic Li+ intercalation at different cycles (2.5, 10.5, and 20.5).
  • Measurement of in-plane electrical conductivity (σ) and Seebeck coefficient (|S|) over a temperature range (20–380 K).

Main Results:

  • Optimal tuning of |S| and σ observed at intermediate Li+ intercalation stages (10.5 cycles).
  • At 10.5 cycles, |S| increased by 50% and σ by 1.6 times compared to pristine PdPS.
  • A peak power factor (PF) of 80 μW m-1 K-2 was achieved at 380 K, over 3-fold higher than the pristine value (24 μW m-1 K-2).
  • Thicker flakes and higher Li+ concentration further improved PF by increasing carrier concentration and promoting energy filtering.
  • Improvements attributed to pseudorecrystallization of grain boundaries and chemical doping, decoupling σ and |S|.

Conclusions:

  • Controlled Li+ intercalation is an effective strategy to enhance thermoelectric performance in 2D penta-PdPS.
  • This method modulates electronic and lattice structures, leading to high-efficiency thermoelectric materials.
  • Findings pave the way for developing advanced thermoelectric devices based on 2D pentagonal materials.