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Strain-Enhanced Thermoelectric Performance in GeS2 Monolayer
Xinying Ruan1, Rui Xiong1, Zhou Cui1
1Key Laboratory of Eco-Materials Advanced Technology, College of Materials Science and Engineering, Fuzhou University, Fuzhou 350100, China.
Materials (Basel, Switzerland)
|June 10, 2022
Summary
Tensile strain significantly boosts the thermoelectric performance of germanium disulfide (GeS₂) monolayers. This strain engineering approach enhances power factors and reduces thermal conductivity, doubling the material's efficiency.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Strain engineering is a key method for tuning the properties of 2D materials.
- Germanium disulfide (GeS₂) monolayers possess a suitable band gap for thermoelectric applications.
Purpose of the Study:
- To investigate the effect of tensile strain on the thermoelectric properties of GeS₂ monolayers.
- To explore strain-induced modifications in band structure and thermal conductivity.
Main Methods:
- First-principles calculations.
- Solving the semi-classical Boltzmann transport equation.
Main Results:
- Tensile strain enhances the thermoelectric properties of GeS₂ monolayers.
- A 6% tensile strain reduces lattice thermal conductivity from 3.89 to 0.48 W/mK.
- The optimal ZT value reaches 0.74 at room temperature and 0.92 at 700 K, a significant improvement.
Conclusions:
- Strain engineering is an effective strategy to improve the thermoelectric performance of GeS₂ monolayers.
- Optimized strain can overcome bipolar conduction effects and enhance power factors.
- The study provides insights into strain-induced property tuning in 2D materials.
