Topological Quantum Materials in Sustainable Energy Conversion: Catalysis and Thermoelectrics

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, NbIrTe₄) 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., Bi₂Te₃, Bi₂Se₃) 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.