Effect of particle size and surface structure on adsorption of O and OH on platinum nanoparticles: A first-principles study

被引：177

作者：

Han, B. C. ^{[1
]}

Miranda, C. R. ^{[1
]}

Ceder, G. ^{[1
]}

机构：

[1] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA

来源：

PHYSICAL REVIEW B | 2008年 / 77卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.77.075410

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using first-principles density functional theory, we study the effect of particle size and surface structure on the chemisorption energy of OH and O on nanoparticles of Pt. We find that the chemisorption energies of O and OH are strongly affected by the size and structure of the Pt particle varying by up to 1.0 eV at different adsorption sites and particle sizes.

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页数：9

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