Exploring high-efficiency electrocatalysts of metal-doped two-dimensional C<sub>4</sub>N for oxygen reduction, oxygen evolution, and hydrogen evolution reactions by first-principles screening
Xin Chen, Qifang Liu, Hui Zhang, Xiuyun Zhao
Abstract
The HER/ORR/OER on 3d, 4d, and 5d transition metal doped C 4 N are studied using DFT methods.
Topics & Concepts
CatalysisBifunctionalOxygen evolutionChemistryTransition metalElectrocatalystMetalOxygenHydrogenWater splittingPhysical chemistryInorganic chemistryElectrochemistryElectrodeOrganic chemistryPhotocatalysisElectrocatalysts for Energy ConversionAdvanced Memory and Neural ComputingSemiconductor materials and devices