Data-driven pursuit of electrochemically stable 2D materials with basal plane activity toward oxygen electrocatalysis
Xiangyu Guo, Shengli Zhang, Liangzhi Kou, ChiYung Yam, Thomas Frauenheim, Zhongfang Chen, Shiping Huang
Abstract
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.
Topics & Concepts
ElectrocatalystBasal planeCatalysisElectrochemistryMaterials scienceOxygen evolutionNanotechnologyChemical engineeringChemistryElectrodeEngineeringOrganic chemistryPhysical chemistryCrystallographyElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceAdvanced Memory and Neural Computing