Yuheng Li 李宇恒

Schmidt AI Fellow

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yul549

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Yuheng Li

ORCiD

0000-0002-1865-1122

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YuhengLI9

I have now moved to the Sustainable Energy and Environment Thrust at the Hong Kong University of Science and Technology as an Asst. Professor (see my group website).

Since 2023, I have been an independent Eric and Wendy Schmidt AI in Science Fellow.

In 2015, I received my Bachelor of Engineering in Materials Science and Engineering from Zhejiang University, China. In 2020, I completed my PhD in NanoEngineering from University of California San Diego based on my work on hybrid halide perovskites and perovskite derivatives for solar cells and light-emitting diodes. My research interests focus on design and understanding of advanced energy materials using first-principles calculations and data-driven approaches. Besides scientific research, I love Bach and horology.

11.

Structure and transport properties in the pseudo-binary phase system Li₄SiS₄-Li₄SnS₄, Chem. Mater. 37, 6127–6139 (2025).

10.

Establishing the Compatibility of Anolytes and Catholytes in Dual Electrolyte Solid-State Batteries, ChemRxiv (2025).

Compatibility of Halide Bilayer Separators for All-Solid-State Batteries, ACS Energy Lett. 9, 5935–5944 (2024).

Alkali cation-induced cathodic corrosion in Cu electrocatalysts, Nat. Commun. 15, 5080 (2024).

Reducing the Defect Formation Energy by Aliovalent Sn(+IV) and Isovalent P(+V) Substitution in Li₃SbS₄ Promotes Li⁺ Transport, ACS Appl. Energy Mater. 7, 1735 (2024).

A Database of Computed Raman Spectra of Inorganic Compounds with Accurate Hybrid Functionals, Sci. Data 11, 105 (2024).

Zirconia-free NaSICON Solid Electrolyte Materials for Sodium All-solid-state Batteries, J. Mater. Chem. A 11, 23233 (2023).

Celebrating the scientific accomplishments of RSC Fellows

Thermal Conductivities of Lithium-Ion-Conducting Solid Electrolytes, ACS Appl. Energy Mater. 6, 10704 (2023).

On the Active Components in Crystalline Li–Nb–O and Li–Ta–O Coatings from First Principles, Chem. Mater. 35, 5657 (2023).