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The surface orientation dependence on the hydrogen evolution reaction (HER)performance of topological crystalline insulator (TCI) SnTe thin films isstudied. Their intrinsic activities are determined by linear sweep voltammetryand cyclic voltammetry measurements. It is found that SnTe (001) and (111)surfaces exhibit intrinsic activities significantly larger than the (211)surface. Density functional theory calculations reveal that pure (001) and(111) surfaces are not good electrocatalysts, while those with Sn vacancies orpartially oxidized surfaces, with the latter as evidenced by X-rayphotoelectron spectroscopy, have high activity. The calculated overallperformance of the (001) and (111) surfaces with robust topological surfacestates (TSSs) is better than that of the lowly symmetric (211) surface withfragile or without TSSs, which is further supported by their measured weakantilocalization strength. The high HER activity of SnTe (001) and (111) isattributed to the enhanced charge transfer between H atoms and TSSs. We alsoaddress the effect of possible surface facets and the contrast of the HERactivity of the available active sites among the three samples. Our studydemonstrates that the TSSs and mirror symmetry of TCIs expedite their HERactivity.

Role of topological surface states and mirror symmetry in topological crystalline insulator SnTe as an efficient electrocatalyst