DFT Study of the Sequential Growth of Pdn (n = 1−7) Clusters on (110D) Surface of γ-Alumina

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  • Presentation type: Apresentação de Pôster / Poster Communications
  • Track: Homogeneous/Heterogeneous Catalysis
  • Keywords: Pd nucleation; γ-alumina; metal−support interaction;

Authors:

  • 1 UNIVERSIDADE DO ESTADO DO RIO DE JANEIRO
  • 2 Universidade Federal Fluminense

DFT Study of the Sequential Growth of Pdn (n = 1−7) Clusters on (110D) Surface of γ-Alumina

Leticia Maia Prates

UNIVERSIDADE DO ESTADO DO RIO DE JANEIRO

Abstract

Metal-support and metal-metal interactions influence the efficiency of heterogeneous catalysts.
Pdn (n=1−7) clusters were optimized sequentially on the (110D) γ-alumina surface.
The metal−support interaction controls the Pdn growth up to n = 4, producing a linear cluster.
Pd5 is a transition point, starting a 2D regime.
From n = 6, the metal−metal interaction directs the growth to 3D, attenuating the Pdn→(110D) flux.

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