Yan Li 李炎

Research Fellow

liy22 [at] nus.edu.sg

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ORCiD

I received my PhD degree in physics from Wake Forest University in December 2021. Under the supervision of Prof. Natalie Holzwarth, my PhD thesis focused on using DFT modeling tools to understand the fundamental and technological properties of electrolyte materials for all-solid-state batteries. Currently, I am continuing my interest in computational research for battery materials.

In my leisure time, I enjoy reading books, watching movies, and going for hikes.

Stacking-Fault Defects Modulate Ion Transport in Ternary Halide Solid Electrolytes, ChemRxiv (2026).

Phase Behavior and Ion Transport in Lithium–Niobium–Tantalum Oxide Alloys, Chem. Mater. 37, 9897–9907 (2025).

Honoring the Outstanding Scientific Contributions of Clare Grey

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

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).

Miscibility of Li₄GeO₄ into Li₃PS₄ Solid Electrolytes from First-Principles Methods, Chem. Mater. 36, 7877 (2024).

Computational Investigation of the Structural and Electrolyte Properties of the Extended Family of Lithium (Thio)Boracite Materials: Li₄B₇O₁₂Cl and Beyond, Phys. Rev. Mater. 8, 065401 (2024).

Yan Li 李炎

Research Fellow

Bio

Publications