Interface Strain Engineering of Ru-RuOx/Graphene Aerogel Composite Boost HER, OER and ORR Applications

Abstract

Developing an efficient and multifunctional catalyst is crucial for the continued advancement of various clean energy conversion (c.a., HER, OER and ORR) applications. However, achieving high activity under multiple reaction conditions remains a formidable challenge. In which, Ru-based catalysts possess certain HER, OER, and ORR performances due to their modulated electronic structure that can be considered as a potential candidate for filling multiple electrocatalytic reactions. Herein, we first use density functional theory (DFT) calculations to predict that the interfacial strain of Ru-RuOx has multiple electrocatalytic reaction activities. Theoretical calculations confirm that the interfacial interaction between Ru and RuOx leads to the elongation of the Ru-O bond, thereby promoting the optimization of electronic structure of the Ru site and the negative shift of the d-band center, optimizing the adsorption of reaction intermediates and facilitating electrocatalytic reactions. Theoretical guidance for the synthesis of Ru-RuOx/GA-2 is identified as the optimal catalyst, exhibiting outstanding HER, OER and ORR performances. The membrane electrode assembly (MEA) and Zn-air battery (ZAB) assembled based on Ru-RuOx/GA-2 demonstrate excellent activity and cycling stability, highlighting their potential in clean energy conversion fields. This work provides important insights into for design and develop advanced single electrocatalysts with multionfunctional electrocatalytic applications via interface strain engineering.