Stabilization of platinum clusters by substitutional boron dopants in carbon supports

作者：Acharya Chethan K; Turner C Heath^*

来源：Journal of Physical Chemistry B, 2006, 110(36): 17706-17710.

DOI：10.1021/jp063618p

To stabilize platinum clusters on carbon supports, carbon substituted boron dopants were introduced in graphite and fullerene models, and the binding energies of Pt-1 to Pt-6 clusters on the carbon supports were investigated using first- principles density functional theory (DFT) calculations. The adsorption energies of the Pt clusters increased significantly in the presence of boron. The adsorption energies of Ru-1 and Au-1 were also found to dramatically increase in the presence of boron.

• 出版日期2006-9-14