TMM Team

• 09. 2021 – present: Research Fellow of TU Darmstadt.
• 09. 2018.09 – 07. 2021: Doctor of Engineering, College of Materials Science and Engineering, Jilin University.
• 09. 2016 – 07. 2018: Master of Engineering, College of Materials Science and Engineering, Jilin University.
• 09.2012 – 07.2016: Bachelor of Science, College of Physics, Jilin University.

PhD Thesis:

Investigation on the defect physics of optoelectronic semiconductors and the effect on the optimization of material properties, 2021, Jilin University.

Research interests:

Design of novel optoelectronic materials with machine learning techniques; DFT-based study on defect physics in semiconductors; Theoretical calculation of crystal XRD pattern.

Research projects:

DFT-based study on electronic configurations and defect tolerances in optoelectronic materials.

Current projects:

High-throughput calculations of chalcogenides

Publications:

1. T. Li, S. Luo, X. Wang, L. Zhang*, Alternative lone-pair ns2-cation-based semiconductors beyond lead halide perovskites for optoelectronic applications. Adv. Mater. DOI: 10.1002/adma.202008574.

2. T. Li, X. Zhao, D. Yang, M. Du*, L. Zhang*, Intrinsic defect properties in halide double perovskites for optoelectronic applications. Phys. Rev. Applied 2018, 10, 041001.

3. T. Li, Y. Li, M. Faizan, H. Peng*, L. Zhang*, Dopability of divalent tin containing phosphates for p-type transparent conductors. Phys. Rev. Mater. 2019, 3, 124606.

4. S. Luo, T. Li, X. Wang, M. Faizan, L. Zhang*, High-throughput computational materials screening and discovery of optoelectronic semiconductors. WIREs Comput. Mol. Sci., 2020, 11: e1489.

5. W. Ming, D. Yang, T. Li, L. Zhang*, M. Du*, Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH3NH3PbI3: Implications on Solar Cell Degradation and Choice of Electrode. Adv. Sci. 2018, 5, 1700662.

Experience in DFT Codes or software:

VASP; Quantum Espresso; YAMBO;