Topological Quantum Materials in Sustainable Energy Conversion: Catalysis and Thermoelectrics

ABSTRACT Topological quantum materials (TQMs), characterized by symmetry‐protected topological surface states (TSS) with unique properties, have revolutionized the understanding of solid‐state chemistry and condensed matter physics, making them attractive for many emerging sustainable energy conversion technologies. TQMs with TSS providing a stable electron bath with high carrier mobility provide a perfect platform for surface chemistry‐related applications, namely catalysis. For example, Weyl semimetals (e.g., NbP, NbIrTe ₄ ) exhibit excellent performance for hydrogen evolution, while chiral topological semimetals (e.g., RhSi, RhSn, and RhBiS) show superior properties for spin‐selective oxygen evolution. TQMs have also emerged as good candidates for thermoelectric (TE) applications due to their unique electronic structure. For instance, band inversion and warping‐driven high valley degeneracy leads to a high Seebeck coefficient in tetradymites (e.g., Bi ₂ Te ₃ , Bi ₂ Se ₃ ) with exceptional near room temperature TE performance. In addition to Seebeck and Peltier effect‐driven conventional TE applications, the recent emergence of Berry curvature‐driven anomalous thermopower and the Nernst effect in many TQMs opens a new paradigm of energy conversion and sensor technologies. In this review, we present a comprehensive picture of the recent progress in TQMs for catalytic and TE applications, along with a brief outlook on the major challenges and prospects for realizing the full potential of TQMs.