About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Alloys and Compounds for Thermoelectric and Solar Cell Applications XIV
|
| Presentation Title |
2D Transition Metal Chalcogenides for Waste Heat Recovery: A Computational Perspective |
| Author(s) |
Nirpendra Singh |
| On-Site Speaker (Planned) |
Nirpendra Singh |
| Abstract Scope |
Waste heat is among the most significant untapped energy sources. Thermoelectric generators directly convert heat into electricity and offer a promising solution with wide-ranging applications. The growing emphasis on clean energy innovation and space technology initiatives makes efficient waste heat recovery increasingly vital for building sustainable infrastructure and future space missions. Two-dimensional (2D) materials have emerged as promising candidates for thermoelectric applications due to quantum confinement effects. This talk explores how computational approaches enable the rational design of 2D materials with engineered phonon dynamics for optimal thermal energy conversion. I will discuss strategies for optimizing thermoelectric properties of 2D dichalcogenides through phonon engineering, anharmonicity, lattice manipulation, and ripples in two-dimensional dichalcogenides. Finally, I will highlight how a multi-scale modeling framework can accelerate the discovery of high-performance thermoelectric materials, paving the way for efficient waste heat harvesting at the nanoscale. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Nanotechnology, Computational Materials Science & Engineering, Energy Conversion and Storage |