Minhui Song, Mei Yang, Shuo Yang, Kai Wang, Chenyang Cao, Hongfei Li, Xiaoxu Wang, Panpan Gao, Ping Qian
The most widely used catalyst for the hydrogen evolution reaction (HER) is Pt, but the high cost and low abundance of Pt need to be urgently addressed. Single-atom catalysts (SACs) have been an effective means of improving the utilization of Pt atoms. In this work, we used a nonmetal (NM = B, N, O, F, Si, P, S, Cl, As, Se, Br, Te, and I) doped β-Mo2 C (100) C-termination surface as the support, with Pt atoms dispersed on the support surface to construct Pt@NM-Mo2 C. Using density functional theory (DFT) calculations, we selected catalysts with excellent HER activity...
October 5, 2024: ACS Applied Materials & Interfaces