Single Atom Catalysts: Reactivity Screening of Single Atoms on Modified Graphene Surface: From Formation and Scaling Relations to Catalytic Activity (Adv. Mater. Interfaces 8/2021)

Graphene seems to be a perfect platform for single atom catalysts. However, a comprehensive picture requires considering not only single metal anchoring to different graphene surfaces but also their thermodynamic stability under different conditions, the tendency to aggregate and the overall reactivity trends. In article number 2001814, Aleksandar Z. Jovanović, Igor A. Pašti and co-workers provide a detailed analysis of graphene-based model single atom catalysts, considering the above aspects and reactivity trends towards atomic (hydrogen and A = C, N, O and S) and molecular adsorbates (AHx, x = 1, 2, 3 or 4, depending on A). Following the identification of scaling relations, catalytic activity towards hydrogen evolution reaction is elaborated considering not only the reactivity of single atoms but also the interplay between single atoms and the studied supports.