Screening MXene-based single-atom catalysts for selective nitrate-to-ammonia electroreduction
Mengting Wang, Tao Hu, Changhong Wang, Feng Du, Hongbin Yang, Wei Sun, Chunxian Guo, Chang Ming Li
Topics & Concepts
CatalysisMaterials scienceTransition metalDissolutionDeoxygenationDensity functional theoryAmmoniaMetalSelectivityAtomic orbitalNitrogenInorganic chemistryPhysical chemistryComputational chemistryChemistryOrganic chemistryMetallurgyElectronQuantum mechanicsPhysicsAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesMXene and MAX Phase Materials