Atomically precise graphene-supported Pt₁₂ clusters: an experimental and theoretical NEXAFS study

Atom-precise Pt₁₂ clusters deposited on a graphene surface have been investigated experimentally by means of Pt N₅-edge NEXAFS spectroscopy. NEXAFS spectra were also calculated within the TDDFT scalar-relativistic framework. Four different structures, corresponding to different energy minima, have been considered. The experimental profile was in remarkably fine agreement with the calculated one of one of the four optimized structures. DOS analysis showed that the feature at lower energy is strongly correlated with the number of Pt atoms with low coordination number, identifying a relationship between spectra features and geometrical structure.