A defective MoS2 monolayer as an efficient electrocatalyst for the nitrogen reduction reaction: a combined theoretical and experimental study. Issue 9 (13th April 2021)

• Record Type: Journal Article
• Authors: Ma, Chaoqun; Yan, Xu; He, Hui; Liu, Bingping; Yan, Shihai
• Is Part Of: Sustainable energy & fuels. Volume 5:Issue 9(2021)
• Page Start: 2415
• Page End: 2418
• Publication Date: 2021-04-13
• Subjects: Renewable energy sources -- Periodicals; Fuel cells -- Periodicals; Electric batteries -- Periodicals; Electrochemistry -- Periodicals; 660.297
• DOI: 10.1039/d1se00346a
• Languages: English
• ISSNs: 2398-4902

Abstract

Abstract : The enzymatic mechanism dominates the NRR on S vacancy defective MoS2 (VS -MoS2 ). Experimentally, VS -MoS2 exhibits higher yield (29.55 μg h −1 mgcat. −1 ) and faradaic efficiency (4.58%) than other defective MoS2 catalysts. Abstract : The enzymatic mechanism dominates the NRR on S vacancy defective MoS2 (VS -MoS2 ) with a Δ G value of 0.48 eV for the potential-determining step (*N–NH → *NH–NH). Experimentally, VS -MoS2 exhibits higher yield (29.55 μg h −1 mgcat. −1 ) and faradaic efficiency (4.58%) than other defective MoS2 catalysts.