Synergistic boost of catalytic activity in ZrTe topological catalyst via multiple topologically-electronic states

Abstract

Topological materials feature highly-active topological surface states and high carrier mobility, making them promising catalysts. While ongoing research centers on topological catalysis, most topological semimetal catalysts tend to showcase either a singular topological electronic state or a lone highly catalytic surface, imposing limitations on overall efficiency. Our study highlights ZrTe as a standout catalyst for hydrogen evolution, boasting multiple topological states that excel across various surfaces. ZrTe exhibits a Weyl nodal ring and a triple degenerate nodal point near the Fermi energy, resulting in topological surface states on multiple surfaces. Notably, the (010) and (001) surfaces exhibit remarkable catalytic performance, with Gibbs free energy (ΔGH*) values surpassing that of the Pt metal. Our work establishes a robust and unequivocal link between catalysis and topological properties on the catalytic surfaces, revealing a linear correlation between ΔGH* and topological surface state density. ZrTe emerges as an exceptional topological catalyst, with both of its topological states significantly contributing to the catalytic performance on distinct surfaces. This pioneering discovery offers a valuable platform for advancing catalyst research in the concept of topological catalysts.