Instructor :
Dr. Nirpendra Singh
Start date
End date

The objective of the project is to design and develop room temperature thermoelectric materials using the computational approache. First, the screening of different low-cost materials (2D and 3D) will be done and later the doping of suitable dopants in the screened materials will be investigated using computational approache. Composites and heterostructure of selected materials will be studies by first-principles calculations. The proposed Materials are SnO, CuI, PbO, CuO, Ca3Co4O9, Nitrides (like CrN), Cu2Se, Mg3Sb2, Mg2Si/Sn/Ge, SnSe, Ag2Se, Ag2Te1-xSx. The doping effect can include multi-valency ions like Co, Al, etc. Composites and heterostructure of some of the screened materials will be studied.

Expected outcome from the Student's work

A student will learn how to use the KU high-performance computer (HPC) platform and contribute to ongoing research on the above topic. The final work will be published in a Q1 journal including him as a co-author.

Terms & conditions

Knowledge of Solid-State Physics and Quantum Mechanics (OPTIONAL)