Single B-vacancy enriched α<sub>1</sub>-borophene sheet: an efficient metal-free electrocatalyst for CO<sub>2</sub> reduction
Prodyut Roy, Sourav Ghoshal, Anup Pramanik, Pranab Sarkar
Abstract
First principles calculations are performed to see the efficacy of pristine (α 1 ) and different defective (α 1− t 1 , α 1− t 2 ) borophene sheets as metal-free electrocatalysts for the CO 2 reduction reaction.
Topics & Concepts
BoropheneElectrocatalystVacancy defectChemistryBoronMetalAtom (system on chip)Electron transferChemical physicsMaterials scienceCrystallographyPhotochemistryPhysical chemistryElectrochemistryOrganic chemistryElectrodeComputer scienceEmbedded systemCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionAmmonia Synthesis and Nitrogen Reduction