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Updated: Jul 13, 2026

Catalytic Reactions at Amine-Stabilized and Ligand-Free Platinum Nanoparticles Supported on Titania During Hydrogenation of Alkenes and Aldehydes
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Catalytic Reactions at Amine-Stabilized and Ligand-Free Platinum Nanoparticles Supported on Titania During Hydrogenation of Alkenes and Aldehydes

Published on: June 24, 2022

プラチナおよびプラチナ・ルテニウム表面におけるCOの吸収部位の振動認識

Ismaila Dabo1, Andrzej Wieckowski, Nicola Marzari

  • 1Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA. dabo_is@mit.edu

Journal of the American Chemical Society
|August 21, 2007
PubMed
まとめ

密度関数理論は,プラチナおよびプラチナ-ルテニウム表面の一酸化炭素 (CO) 振動周波数を正確に予測します. この方法は,他の方法が吸附部位の安定性に失敗しても,ルテニウムによる周波数シフトを正しくモデル化します.

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