Starting from August 2024, I am an Assistant Professor at the Hong Kong University of Science and Technology (Guangzhou) in the Sustainable Energy and Environment Thrust. Before this, I was an Eric and Wendy Schmidt AI in Science Fellow at the National University of Singapore, hosted by Prof. Pieremanuele Canepa. I obtained my PhD degree (2020) in NanoEngineering from University of California San Diego (UCSD) under the guidance of Prof. Kesong Yang, and my Bachelor’s degree (2015) from Zhejiang University. My research focuses on computational and data-driven materials design for sustainable energy applications, with a particular focus on solid-state rechargeable-battery materials and hybrid halide perovskites.
Yuheng Li
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yuhengli@hkust-gz.edu.cn
Papers
Alkali cation-induced cathodic corrosion in Cu electrocatalysts
A database of computed Raman spectra of inorganic compounds with accurate hybrid functionals
Zirconia-free NaSICON solid electrolyte materials for sodium all-solid-state batteries
Thermal conductivities of lithium-ion-conducting solid electrolyte
On the active components in crystalline Li–Nb–O and Li–Ta–O coatings from first principles
High-throughput screening of hybrid quaternary halide perovskites for optoelectronics
Perovskite superlattices with efficient carrier dynamics
Role of electronic passivation in stabilizing the lithium-LixPOyNz solid-electrolyte interphase
H2O and CO2 surface contamination of the lithium garnet Li7La3Zr2O12 solid electrolyte
High-throughput computational design of halide perovskites and beyond for optoelectronics
A fabrication process for flexible single-crystal perovskite devices
Strain engineering and epitaxial stabilization of halide perovskites
First-principles characterization of two-dimensional (CH3(CH2)3NH3)2 (CH3NH3)n−1GenI3n+1 perovskite
Size-controlled synthesis of Pd nanosheets for tunable plasmonic properties