Transition metal-embedded Nb 2 S 2 C as a high-performance bifunctional electrocatalyst for the OER and ORR: insights from DFT simulations | Synapse
March 1, 2026Open Access
Transition metal-embedded Nb 2 S 2 C as a high-performance bifunctional electrocatalyst for the OER and ORR: insights from DFT simulations
Puntos clave
The study aims to explore the effectiveness of transition metal-embedded Nb2S2C as a bifunctional electrocatalyst for oxygen evolution and reduction reactions.
Utilized DFT (Density Functional Theory) simulations to analyze material properties.
Engineered transition metals within Nb2S2C to optimize performance for bifunctional activity.
Assessed overpotential metrics for OER and ORR reactions.
Achieved ultralow overpotential for both oxygen evolution and reduction activities.
Demonstrated significant enhancement in catalytic efficiency compared to traditional catalysts.
Resumen
Atomically engineered TM–Nb 2 S 2 C catalysts enable ultralow overpotential bifunctional OER/ORR activity, offering a promising route toward efficient energy conversion technologies.