Transition metal single atom embedded GaN monolayer surface for efficient and selective CO<sub>2</sub> electroreduction
Muhammad Umer, Sohaib Umer, Rohit Anand, Jinhong Mun, Mohammad Zafari, Geunsik Lee, Kwang S. Kim
Abstract
A descriptor-based screening approach is adopted to identify stable, efficient and highly selective CO 2 RR electrocatalysts. DFT based mechanistic analysis highlighted the potential reduction route towards different C1 products.
Topics & Concepts
MonolayerTransition metalAtom (system on chip)Materials scienceReduction (mathematics)MetalNanotechnologyChemistryCatalysisComputer scienceMetallurgyMathematicsEmbedded systemBiochemistryGeometryCO2 Reduction Techniques and CatalystsAmmonia Synthesis and Nitrogen ReductionElectrocatalysts for Energy Conversion