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Updated: Jul 3, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Znは,メタノールとホルムアルデヒドに対するPd(111) の反応性の変更である

Eseoghene Jeroro1, John M Vohs

  • 1Department of Chemical and Bimolecular Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6363, USA.

Journal of the American Chemical Society
|July 11, 2008
PubMed
まとめ

パラジウムベースの触媒に含まれる亜鉛は,メタノールの脱水化を大幅に減らし,中間結合を変化させます. この研究は,メタノールの蒸気リフォームのためのパラジウム/亜鉛酸化物触媒における亜鉛の役割を明らかにしています.

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