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Updated: May 27, 2025

Engineering Molecular Recognition with Bio-mimetic Polymers on Single Walled Carbon Nanotubes
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機械学習の力場による単面カーボンナノチューブのキネティクス

Sida Sun1,2, Shigeo Maruyama3, Yan Li1,2

  • 1Beijing National Laboratory for Molecular Science, Key Laboratory for the Physics and Chemistry of Nanodevices, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China; Institute of Carbon-Based Thin Film Electronics, Peking University, Shanxi, Taiyuan 030012, China.

Journal of the American Chemical Society
|February 15, 2025
PubMed
まとめ

機械学習のシミュレーションにより,単一壁の炭素ナノチューブ (SWCNT) のキラリティがどのように発生するのかが明らかになった. コバルト触媒での成長中の欠陥ダイナミクスは, (6,5) のような特定のタイプを好んで,最終的なSWCNTのキラリティ分布を著しく影響し,決定します.

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