About Chunlin Xu
Basic
I am a Ph.D. student in Theoretical and Computational Chemistry at the Department of Chemistry, Tsinghua University.
Research Interests
My current research interest is to explain the experimental observations regarding electron and phonon transport in thermoelectric organic polymers. These materials usually cannot be treated as perfect crystals due to their soft and complex structure. The interactions between electrons, phonons, defects, and dopants make these materials relatively challenging for us to investigate, leaving many interesting and unresolved questions. My research combines the knowledge of physics, chemistry, computational science, as well as materials science to try to answer these questions using atomic simulations, which include both quantum and classical mechanical treatments.
Selected Publications
- Xu C., Wang D., Theoretical Perspective of Enhancing Order in n-Doped Thermoelectric Polymers through Side Chain Engineering: The Interplay of Counterion–Backbone Interaction and Side Chain Steric Hindrance. Nano Letters (2024).
- Xu C., Wang D., Electron transfer driving force as the criterion for efficient n-doping of organic semiconductors with DMBI-H derivatives. Journal of Materials Chemistry A (2023).
- Xu C., Yao C., Zheng S., Effects of lateral-chain thiophene fluorination on morphology and charge transport of BDT-T based small molecule donors: a study with multiscale simulations. Journal of Materials Chemistry C (2021).
Hobbies
When I am not working, I enjoy watching movies, swimming, and playing ball sports. I also enjoy writing code, especially when there’s no rush.