کنفرانس مهندسی برق ایران

صفحه اصلی / سی و چهارمین کنفرانس بین المللی مهندسی برق

Suppressing the shuttle effect through Fe,Mn Dual atom Catalyst in Li-S Battery

نویسندگان :

Leila Sadeghbeigy¹ Donna Rashidi² Ebrahim Nadimi³

1- دانشگاه خواجه نصیر الدین طوسی 2- دانشگاه خواجه نصیر الدین طوسی 3- دانشگاه خواجه نصیر الدین طوسی

کلمات کلیدی :

battery،adsorption،LiPSs،shuttle،dual catalyst،single catalyst

چکیده :

Understanding and optimizing the adsorption and conversion processes of lithium polysulfides is crucial for reducing shuttle effects and slow redox kinetics in lithium-sulfur batteries. Here, we investigated the adsorption and energetic configurations of a pristine graphene, single-atom catalysts Fe, Mn(M-N4-Gr), Dual-atom catalysts Fe-Mn(Fe-Mn-N6-Gr) using density functional theory (DFT). Our results show that compared to single-atom catalysts, Fe-Mn exhibits improved lithium polysulfides adsorption and redox conversion through shared metal-sulfur interactions and electronic coupling between adjacent metal centers. This result was confirmed by charge analysis. The cumulative conversion energy (CCE) parameter was used to compare the reaction kinetics of single and dual catalysts.