Author/Authors :
L.M. and Cortés Bracho، نويسنده , , O.L. and Ranea، نويسنده , , V.A. and Irurzun، نويسنده , , I.M. and Imbihl، نويسنده , , R. and Mola، نويسنده , , E.E.، نويسنده ,
Abstract :
DFT is used to determine the ammonia adsorption configurations at low coverage on the Pt{1 0 0}–(1 × 1) surface. At 0.11 and 0.22 ML ammonia molecules adsorb in the on-top configuration with the N-atom binding to a surface Pt atom (α-NH3). We report an ammonia dimer stable at 0.22 and 0.33 ML with one molecule adsorbed in the α-state and a second one bonded via H-bond to the first molecule (β-state). At 0.33 ML the monomer and dimer coadsorption is the preferred configuration. The estimated saturation coverage for the α-state is 0.29 ML.
