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Updated: Feb 22, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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オペランド・フォノン 高活性水素進化反応ペントランドイト触媒におけるプロトネーションメカニズムの研究

Ioannis Zegkinoglou1, Ali Zendegani2, Ilya Sinev1

  • 1Department of Physics, Ruhr-University Bochum , 44780 Bochum, Germany.

Journal of the American Chemical Society
|September 23, 2017
PubMed
まとめ

合成ペントランドイトは,最初の水素吸収のために硫黄の空白を利用することによって水素の進化を高めます. このメカニズムは,オペランドX線散乱によって明らかにされ,電触媒の性能と反応運動を最適化します.

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Catalysis02:50

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Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
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