Boosting of overall water splitting activity by regulating the electron distribution over the active sites of Ce doped NiCo–LDH and atomic level understanding of the catalyst by DFT study
Hariharan N. Dhandapani, D. Mahendiran, Arun Karmakar, Pandiarajan Devi, Sreenivasan Nagappan, Ragunath Madhu, Krishnendu Bera, P. Murugan, B. Ramesh Babu, Subrata Kundu
Abstract
Ce 3+ ion doped NiCoLDHs have applied as a promising electrocatalysts for water splitting. 9.715 times high TOF has observed as a result of Ce doping. DFT study shows that Co-3d states are highly responsible for catalytic activity of the catalyst.
Topics & Concepts
CatalysisDopingWater splittingBoosting (machine learning)IonMaterials scienceActive siteInorganic chemistryChemistryOptoelectronicsPhotocatalysisComputer scienceOrganic chemistryMachine learningElectrocatalysts for Energy ConversionAmmonia Synthesis and Nitrogen ReductionAdvanced battery technologies research