Edge sites dominate the hydrogen evolution reaction on platinum nanocatalysts
Zhihong Huang, Tao Cheng, Aamir Hassan Shah, Guangyan Zhong, Chengzhang Wan, Peiqi Wang, Mengning Ding, Jin Huang, Zhong Wan, Sibo Wang, Jin Cai, Bosi Peng, Haotian Liu, Yu Huang, William A. Goddard III, Xiangfeng Duan
Abstract
Platinum nanocatalysts facilitate the hydrogen evolution reaction (HER) for renewable chemical fuel generation. These nanostructures encompass diverse surface sites, including (111) and (100) facets and edge sites between them. Identifying the exact active sites is essential for optimal catalyst design, but remains challenging. Here, combining electrical transport spectroscopy (ETS) with reactive force field (ReaxFF) calculations, we profile hydrogen adsorption on platinum nanowires and reveal two distinct peaks: one at 0.20 VRHE for (111) and (100) facets and one at 0.038 VRHE for edge sites. Concurrent ETS and cyclic voltammetry show that edge site adsorption coincides with the onset of the HER, indicating the critical role of edge sites. ReaxFF molecular dynamics calculations confirm lower activation barriers for the HER at edge sites, with two to four orders of magnitude higher turnover frequencies. ETS in alkaline media reveals substantially suppressed hydrogen adsorption on edge sites, contributing to the more sluggish HER kinetics. These findings resolve the elusive role of different sites on platinum surfaces, offering critical insights for HER catalyst design.
Group Members
Huang, Z., Cheng, T., Shah, A. H., Zhong, G., Wan, C., Wang, P., Ding, M., Huang, J., Wan, Z., Wang, S., Cai, J., Peng, B., Liu, H., Huang, Y., III, W. A. G., & Duan, X. (2024). Edge sites dominate the hydrogen evolution reaction on platinum nanocatalysts. *Nature Catalysis*, *7*(6), 678–688. https://doi.org/10.1038/s41929-024-01156-x