Rational design of single transition-metal atoms anchored on a PtSe<sub>2</sub> monolayer as bifunctional OER/ORR electrocatalysts: a defect chemistry and machine learning study
S.L. Yue, Dongying Li, Aodi Zhang, Yu-Li Yan, Hongxia Yan, Zhenzhen Feng, Wentao Wang
Abstract
Design of low overpotential bifunctional OER/ORR electrocatalysts by adjusting the charge states of TM@PtSe 2 is a new effective method.
Topics & Concepts
BifunctionalOverpotentialTransition metalMonolayerCharge (physics)Rational designNanotechnologyMaterials scienceChemistryElectrochemistryPhysical chemistryCatalysisElectrodePhysicsOrganic chemistryQuantum mechanicsElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceFuel Cells and Related Materials