Xiangyu Guo, Shengli Zhang, Liangzhi Kou, Chi-Yung Yam, Thomas Frauenheim, Zhongfang Chen, Shiping Huang

Data-driven pursuit of electrochemically stable 2D materials with basal plane activity toward oxygen electrocatalysis

  • Pollution
  • Nuclear Energy and Engineering
  • Renewable Energy, Sustainability and the Environment
  • Environmental Chemistry

We presented a data-driven framework for a discovery of high-performance 2D catalysts. 24 stable and active ORR catalysts and 2 OER catalysts were identified, and the strategy for evaluating electrochemical stability of materials was proposed.

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