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Figure 1. Geometric and electronic properties of vanadium-based topological chalcogenides: (A) schematic illustration of topological quantum materials for battery applications, along with the top and side views of four optimized crystal structures with stoichiometric formulas of V₂AB₄; (B) Potential energy fluctuations during AIMD simulations at 300 K for 5 ps; (C) phonon dispersion curve describing dynamic stabilities; and (D) topological band structures of V₂MoS₄, V₂MoSe₄, V₂WS₄, and V₂WSe₄ monolayers using the SOC method. SOC: Spin-orbit coupling; AIMD: ab initio molecular dynamics.