School of Rare Earths of Science and Technology of China 230026;
Key Laboratory of Rare Earths Innovation Academy Academy of Sciences 341000;
Center for Computational Chemistry of Chemistry and Chemical Engineering Textile University 430200;
Institute of Process Engineering Academy of Sciences 100190;
Langfang Technological Service Centre of Green Industry 065001;
Density functional theory(DFT); calculations; Pt-based electrocatalysts; Oxygen reduction reaction;