Metal Clusters or Nanoparticles on Pristine Graphene

Representative examples of the studies conducted in the field are summarized in Table 11.4. Unlike the case of transition metal atoms, numerous adsorption configurations exist for transition metal clusters, therefore a set of may be given for every particular M cluster (we have only given of the most stable one). CPMD predicts Rh2o clusters to be conformationally soft [118] on the surface of the pristine graphene. 

norm-conserving pseudopotentials USPP, ultrasoft pseudopotentials PBE-TS denotes DFT-PBE computations with dispersion correction of Tkatchenko and Scheffler applied. 

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