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High-performing nanocatalyst screened via machine learning and confirmed experimentally
Chem Catalysis ( IF 11.5 ) Pub Date : 2021-09-16 , DOI: 10.1016/j.checat.2021.06.018
Qionghua Zhou 1 , Qiang Li 1 , Jinlan Wang 1
Affiliation  

In this issue of Chem Catalysis, Han and co-workers combine first-principles calculations with a machine-learning technique to search ternary electrocatalyst for oxygen reduction reaction. The predicted promising PtFeCu nanoparticles were validated by experimental tests, showing both higher activity and more durable stability than commercial Pt/C.



中文翻译:

通过机器学习筛选和实验证实的高性能纳米催化剂

在本期Chem Catalysis 中,Han 和同事将第一性原理计算与机器学习技术相结合,寻找用于氧还原反应的三元电催化剂。预测的有前途的 PtFeCu 纳米粒子通过实验测试得到验证,显示出比商业 Pt/C 更高的活性和更持久的稳定性。

更新日期:2021-09-16
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