2D Topological Electrocatalysts with Spin-Orbit Coupling: Interplay between the "Electrochemical" and "Topological" Surface States.

ABSTRACT: Two-dimensional (2D) topological materials have emerged as promising candidates for electrocatalysis owing to their exotic surface electronic structures governed by spin-orbit coupling (SOC). However, under realistic electrochemical conditions, these surface electronic properties can be significantly adjusted by the dynamic reconstruction of catalyst surfaces, referred to as electrochemical surface states (ESSs), which remains underexplored in the context of topological materials. Here, using monolayer PtBi₂ as a model catalyst, we reveal that the SOC-enabled topological surface states (TSSs) of PtBi₂ can be actively modulated by ESSs even without inducing structural phase transitions. Through density functional theory computations, we identify that ∼1 monolayer (ML)

SUBMITTER: Liu H 

PROVIDER: S-EPMC12720228 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature