Shuyue Wang1,2, Chao Qian1,2, Shaodong Zhou1,2

  • 1College of Chemical and Biological Engineering, Zhejiang Provincial Key Laboratory of Advanced Chemical Engineering Manufacture Technology, Zhejiang University, Hangzhou 310027, P. R. China.

概括

机器学习和第一原理计算加快了降解反应 (NRR) 单原子催化剂的设计. 这种强大的策略准确地预测了催化剂的性能,有助于开发高效的基催化剂.

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