Anti-defect engineering of Pd/NiCo2O4 hybrid nanocatalysts for enhanced CO2 hydrogenation to formate

Abstract

Efficiently converting CO into value-added chemicals remains a significant challenge due to its inert nature. Here, we present the rational design of Pd/NiCoO hybrid nanocatalysts with diverse morphologies for highly efficient CO hydrogenation to formate. The synergistic combination of Pd and NiCoO offers improved catalytic activity towards formate production. Remarkably, the observation of a morphology-dependent Pd-NiCoO interaction, linked to the presence of oxygen vacancies in NiCoO, significantly contributes to our understanding of catalytic activity. The rose-like Pd/NiCoO catalyst achieves an impressive formate yield (85.3 mol mol h) due to its low oxygen vacancy concentration and subsequent generation of less positively-charged Pd species, emphasizing the crucial role of oxygen vacancies in hybrid nanocatalyst performance. These findings were further validated through density functional theory calculations, providing valuable insights into the design and optimization of nanocatalysts for CO hydrogenation. This contributes to the development of efficient and sustainable processes for CO utilization in the production of formate and other valuable chemicals.