Enhancing thermoelectric properties through a three-terminal benzene molecule

Area of Science:

• Condensed Matter Physics
• Materials Science
• Nanotechnology

Background:

• Thermoelectric transport in molecular junctions is crucial for energy harvesting.
• Understanding the role of molecular geometry and terminal configurations is key to optimizing performance.

Purpose of the Study:

• To investigate thermoelectric transport properties of a benzene molecule with three metallic terminals.
• To analyze the impact of a third terminal on conductance, thermopower, and efficiency at maximum power.

Main Methods:

• Utilizing general local and non-local transport coefficients within the linear response regime.
• Calculating Onsager coefficients to determine efficiency at maximum power.
• Comparing three-terminal and two-terminal configurations.

Main Results:

• Observed significant enhancement of the figure of merit in the three-terminal setup with controlled temperature differences.
• Demonstrated that the third terminal model improves efficiency at maximum output power compared to the two-terminal model.

Conclusions:

• The three-terminal model offers a viable strategy for enhancing thermoelectric device performance.
• Molecular-scale thermoelectric energy conversion can be optimized through advanced terminal designs.