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Updated: May 25, 2025

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描述CO2在单原子合金上的激活规则DFT-Meta-GGA计算和人工智能

Herzain I Rivera-Arrieta1, Lucas Foppa1

  • 1The NOMAD Laboratory at the Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, Berlin D-14195, Germany.

ACS catalysis
|February 27, 2025
PubMed
概括

人工智能确定了在单原子合金 (SAA) 上有效激活二氧化碳的关键规则. 这些规则指导了二氧化碳化有效催化剂的设计,加速了材料的发现.

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