Fig. 3: Pt clusters for methane activation.
From: Machine-learning atomic simulation for heterogeneous catalysis
a The geometries of top three stable Pt13H26 clusters (denoted as GM0, GM1, and GM2) as explored by the HDNN potential together with modified genetic algorithm, in which the note ‘PtHx’ represents the coordination number (x) of Pt. b The activation energies (Ea) and relative contributions to the reaction rate of methane activation under 673 K. Reproduced with permission from ref. 97. Copyright American Chemical Society, 2018.
