Catalytic behavior at the nanoscale: CO adsorption on Al2O3-supported Pt clusters

Yashar Yourdshahyan; Valentino R. Cooper; Alexie M. Kolpak; Andrew M. Rappe

doi:10.1117/12.508615

4 December 2003 Catalytic behavior at the nanoscale: CO adsorption on Al₂O₃-supported Pt clusters

Yashar Yourdshahyan, Valentino R. Cooper, Alexie M. Kolpak, Andrew M. Rappe

Proceedings Volume 5223, Physical Chemistry of Interfaces and Nanomaterials II; (2003) https://doi.org/10.1117/12.508615
Event: Optical Science and Technology, SPIE's 48th Annual Meeting, 2003, San Diego, California, United States

Abstract

The study of the adsorption and growth of metals on ceramics is a rapidly growing area, as these interactions are key to understanding many materials and processes used in modern technology. In particular, oxide-supported catalysts have been extensively studied, due to their widespread industrial applications. Knowledge of the role played by the underlying metal oxide in the reactivity of the metal catalyst can give insights into the design of more effective catalysts. Here, we use density functional theory (DFT) to investigate the adsorption of CO onto 1) bulk Pt, 2) Pt thin layers supported on an alpha-alumina surface and 3) Pt nanoparticles on alpha-alumina. Our results show strong binding for CO molecules on the surfaces of both the thin Pt layers and the 3-atom nanoparticles supported on alumina substrates. This enhanced binding can possibly lead to more reactive catalysts. Further calculations on reaction products are needed to determine the effectiveness of these new systems.

Citation Download Citation

Yashar Yourdshahyan, Valentino R. Cooper, Alexie M. Kolpak, and Andrew M. Rappe "Catalytic behavior at the nanoscale: CO adsorption on Al₂O₃-supported Pt clusters", Proc. SPIE 5223, Physical Chemistry of Interfaces and Nanomaterials II, (4 December 2003); https://doi.org/10.1117/12.508615

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