Doped MXene combinations as highly efficient bifunctional and multifunctional catalysts for water splitting and metal–air batteries
Rohit Anand, Babu Ram, Muhammad Umer, Mohammad Zafari, Sohaib Umer, Geunsik Lee, Kwang S. Kim
Abstract
First principles calculations are used to systematically screen promising catalysts for water splitting and metal–air batteries. We find that a single atom (Ni/Fe/Cu) embedding into MXenes is able to promote HER, OER, and ORR.
Topics & Concepts
BifunctionalMXenesWater splittingCatalysisDopingMetalMaterials scienceEmbeddingAtom (system on chip)NanotechnologyInorganic chemistryChemical engineeringChemistryOptoelectronicsComputer scienceMetallurgyEngineeringOrganic chemistryPhotocatalysisEmbedded systemArtificial intelligenceMXene and MAX Phase MaterialsAdvanced Photocatalysis TechniquesElectrocatalysts for Energy Conversion