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在g-C3N4纳米管中的结构性,机械性和电子性之间的相互关系

Elise Y Li1, Chi-You Liu1,2

  • 1Department of Chemistry, National Taiwan Normal University, Taipei, Taiwan.

Journal of computational chemistry
|October 17, 2025
PubMed
概括

本研究使用密度函数理论探索管状石墨碳化物纳米管 (g-C3N4纳米管或CNNT). 结果显示可调节的机械和电子性能,为催化中先进的纳米材料设计提供了洞察力.

关键词:
在C3N4纳米管中.在 DFT 方面,它是最重要的.带间隙 带间隙 带间隙曲线的曲率是因为压力 压力 压力 压力这是Young的模块.

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