CO<sub>2</sub>electroreduction performance of PtS<sub>2</sub>supported single transition metal atoms: a theoretical study
Yu-wang Sun, Jing‐yao Liu
Abstract
The potential of PtS 2 with single S-vacancy supported single-atom catalysts as electrocatalysts for CO 2 reduction was explored. DFT calculations show that five TM-PtS 2 (TM = Sc, V, Fe, Co and Cu) show high catalytic performance.
Topics & Concepts
Transition metalVacancy defectCatalysisAtom (system on chip)Materials scienceMetalPhysical chemistryChemistryCrystallographyAtomic physicsPhysicsMetallurgyComputer scienceEmbedded systemBiochemistryCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionCatalytic Processes in Materials Science