Design of Ru-Ni diatomic sites for efficient alkaline hydrogen oxidation.

Han, Lili; Ou, Pengfei; Liu, Wei; Wang, Xiang; Wang, Hsiao-Tsu; Zhang, Rui; Pao, Chih-Wen; Liu, Xijun et al. · Sci Adv · 2022

basic_science · Level V

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Abstract

Anion exchange membrane fuel cells are limited by the slow kinetics of alkaline hydrogen oxidation reaction (HOR). Here, we establish HOR catalytic activities of single-atom and diatomic sites as a function of *H and *OH binding energies to screen the optimal active sites for the HOR. As a result, the Ru-Ni diatomic one is identified as the best active center. Guided by the theoretical finding, we subsequently synthesize a catalyst with Ru-Ni diatomic sites supported on N-doped porous carbon, which exhibits excellent catalytic activity, CO tolerance, and stability for alkaline HOR and is also superior to single-site counterparts. In situ scanning electrochemical microscopy study validates the HOR activity resulting from the Ru-Ni diatomic sites. Furthermore, in situ x-ray absorption spectroscopy and computational studies unveil a synergistic interaction between Ru and Ni to promote the molecular H<sub>2</sub> dissociation and strengthen OH adsorption at the diatomic sites, and thus enhance the kinetics of HOR.