摘要
Abstract Single‐atom‐catalyst‐based systems have been attractive by virtue of their desirable catalytic performance. Herein, the possibility of the 15 transition‐metal (TM)‐promoted (TM=Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd, Ag, Cd, Os, Ir, Pt, Au, and Hg) and their hydrogen evolution reaction (HER) performance were investigated on two‐dimensional titanium carbides (TiC 2 ). It is found that the adsorption strength of TMs on TiC 2 is stronger than that of TMs on γ‐graphyne and weaker than that of TMs on Ti 3 C 2 . Among the fifteen investigated catalysts, Ru−TiC 2 , Ag−TiC 2 , Ir−TiC 2 , Au−TiC 2 , and Fe−TiC 2 exhibits overpotential of −0.18, −0.15, −0.18, −0.17, and −0.04 V, respectively. In addition, the Volmer‐Tafel step was preferred to the Volmer‐Heyrovsky step on Fe−TiC 2 . This work suggests that Fe−TiC 2 is possibly a superior HER electrocatalyst.