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Updated: Aug 10, 2026

Synthesis and Functionalization of Nitrogen-doped Carbon Nanotube Cups with Gold Nanoparticles as Cork Stoppers
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机器学习辅助的DFT选氧化二原子烯催化剂,用于降解反应

Xiulin Wang1,2, Suofu Nie1,2, Huichao Yao1,2

  • 1CNOOC Key Laboratory of Liquefied Natural Gas and Low-Carbon Technology, Beijing 100028, China.

Molecules (Basel, Switzerland)
|October 29, 2025
PubMed
概括

机器学习和DFT计算确定了在化石墨烯上的双过渡金属催化剂,以实现高效的降解过程 (NRR). Ti-Co@N6G显示了自发氨合成潜力,加速了催化剂的发现.

关键词:
密度函数理论计算密度函数理论计算双原子催化剂的使用方法机器学习选 机器学习选降解反应是一种降解反应.用剂合的石墨烯.

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