High throughput generation of high- zT thermoelectrics with precise stoichiometric controls

Key Points

• To develop a model for efficiently generating high-zT thermoelectric materials with controlled stoichiometry.
• Developed a denoising diffusion model (TE-Diffusion)
• Implemented a three-channel discrete stoichiometric encoding strategy
• Focused on high-throughput generation of thermoelectrics.
• Model demonstrates improved efficiency in generating thermoelectric materials.
• Achieved precise control over stoichiometric variations.