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Updated: Mar 24, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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リバース・ウォーター・ガス・シフトまたはサバティアー・メタネーション (Ni{110})? 周囲の圧力下では安定した表面種

Matteo Roiaz1, Enrico Monachino1, Carlo Dri1,2

  • 1Physics Department, University of Trieste , via Valerio 2, I-34127 Trieste, Italy.

Journal of the American Chemical Society
|March 9, 2016
PubMed
まとめ

この研究は,高度なスペクトロスコーピーを用いて,ニッケル (110) の複雑な表面相互作用を明らかにしています. 重要な発見は,複数の一酸化炭素種と触媒に関連する反応性中間物質の特定です.

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