Portrait
Tenghui Li
Zhejiang University
Department of Chemistry
About Tenghui
Tenghui's research focuses on electronic structure theory and mixed quantum-classical dynamics. His work aims to develop efficient and accurate methods for predicting spectroscopic properties and simulating nonadiabatic processes in complex systems. Tenghui received his B.S. from Zhejiang University in 2021 under the supervision of Prof. Linjun Wang, where he worked on time-dependent variational approaches based on surface-hopping trajectories. He also completed a minor in Chinese Language and Literature. Tenghui is currently pursuing a Ph.D. at Zhejiang University under Prof. Linjun Wang. His current research focuses on the development of algorithms for computational spectroscopy, machine-learning approaches to electronic Hamiltonians, and nonadiabatic dynamics simulations in quantum dots.
Education
  • Zhejiang University
    Zhejiang University
    Department of Chemistry
    Ph.D. Student
    Sep. 2021 - present
  • Zhejiang University
    Zhejiang University
    B.S. in Chemistry
    Sep. 2017 - Jun. 2021
Honors & Awards
  • Outstanding graduates of Zhejiang Province
    2021
  • Zhejiang Provoncial scholarship
    2019
News
2026
Tenghui will present a poster at the 35th CCS Congress on the phonon bottleneck in hot electron relaxation.
Apr 12
2025
Tenghui will present a talk at the ACS Spring 2025 meeting on the oxidative doping of quantum dots.
Mar 20
2024
Tenghui will present a poster at the ISTCP 2024 Congress on the patching Hamiltonian method.
Oct 14
Tenghui will present a poster at the 34th CCS Congress on the oxidative doping of quantum dots.
Jun 20
2022
Tenghui was featured in a report by CCTV News . Read more
Sep 01
Selected Publications (view all )
Site-Specific Ligand Exchange on Colloidal Semiconductor Nanocrystals: On-Edge Exchange versus On-Facet Position Swapping

Xudong Qian*, Tenghui Li*, Jie Zhu*, Xionglin Zhou, Zihao Xu, Xueqian Kong, Jiongzhao Li#, Linjun Wang#, Xiaogang Peng# (* equal contribution, # corresponding author)

ACS nano 2026, 20, 12, 10246–10261

Site-Specific Ligand Exchange on Colloidal Semiconductor Nanocrystals: On-Edge Exchange versus On-Facet Position Swapping

Xudong Qian*, Tenghui Li*, Jie Zhu*, Xionglin Zhou, Zihao Xu, Xueqian Kong, Jiongzhao Li#, Linjun Wang#, Xiaogang Peng# (* equal contribution, # corresponding author)

ACS nano 2026, 20, 12, 10246–10261

Phonon Bottleneck in the Hot Electron Relaxation of n-Doped Quantum Dots: A Large-Scale Nonadiabatic Dynamics Perspective

Tenghui Li, Jiawei Dong, Zihan Liu, Xiaogang Peng, Linjun Wang# (# corresponding author)

ACS nano 2026, 20, 7, 5662–5674

Phonon Bottleneck in the Hot Electron Relaxation of n-Doped Quantum Dots: A Large-Scale Nonadiabatic Dynamics Perspective

Tenghui Li, Jiawei Dong, Zihan Liu, Xiaogang Peng, Linjun Wang# (# corresponding author)

ACS nano 2026, 20, 7, 5662–5674

Reversible Facet Reconstruction of CdSe/CdS Core/Shell Nanocrystals by Facet-Ligand Pairing

Hairui Lei*, Tenghui Li*, Jiongzhao Li, Jie Zhu, Haibing Zhang, Haiyan Qin, Xueqian Kong, Linjun Wang#, Xiaogang Peng# (* equal contribution, # corresponding author)

Journal of the American Chemical Society (J. Am. Chem. Soc.) 2023, 145, 12, 6798–6810

Reversible Facet Reconstruction of CdSe/CdS Core/Shell Nanocrystals by Facet-Ligand Pairing

Hairui Lei*, Tenghui Li*, Jiongzhao Li, Jie Zhu, Haibing Zhang, Haiyan Qin, Xueqian Kong, Linjun Wang#, Xiaogang Peng# (* equal contribution, # corresponding author)

Journal of the American Chemical Society (J. Am. Chem. Soc.) 2023, 145, 12, 6798–6810

All publications