Sulfur and nitrogen dual-doped graphdiyne(NSGD)has been found to be a promising catalyst for oxygen reduction reaction(ORR)through a combination of density functional theory(DFT)calculation and the application of oxyg...Sulfur and nitrogen dual-doped graphdiyne(NSGD)has been found to be a promising catalyst for oxygen reduction reaction(ORR)through a combination of density functional theory(DFT)calculation and the application of oxygen evolution reaction(OER)experiments.The DFT analysis suggests that adsorption characteristics are significantly altered by resulting nitrogen and sulfur doping,which in turn affect the ORR activity.In particular,the NSGD-800 catalyst exhibits an increased ORR half-wave potential of 0.754 V,with enhanced stability due to the synergy effect of N and S.Meanwhile,thanks to the unique acetylene-rich structure of graphdiyne to anchor metal oxides with strong d-πinteractions,the activity and stability of com-RuO2 for OER were significantly enhanced by mixing with NSGD-800.The zinc-air battery(ZAB)with NSGD shows a much higher peak power density(87.3 mW cm^(−2))and longer charge-discharge cycle stability compared with the ZAB with Pt/C,making it an excellent candidate air electrode for ZAB and other energy storage and conversion devices.展开更多
基金supported by the National Natural Science Foundation of China(22202037 and 22102105)the Fundamental Research Funds for the Central Universities(2412023QD019 and 2412024QD014)+1 种基金the support from grants under the Science and Technology Development Plan Project of Jilin Province,China(20240101192JC)seventh batch of the Jilin Province Youth Science and Technology Talent Lifting Project(QT202305)。
文摘Sulfur and nitrogen dual-doped graphdiyne(NSGD)has been found to be a promising catalyst for oxygen reduction reaction(ORR)through a combination of density functional theory(DFT)calculation and the application of oxygen evolution reaction(OER)experiments.The DFT analysis suggests that adsorption characteristics are significantly altered by resulting nitrogen and sulfur doping,which in turn affect the ORR activity.In particular,the NSGD-800 catalyst exhibits an increased ORR half-wave potential of 0.754 V,with enhanced stability due to the synergy effect of N and S.Meanwhile,thanks to the unique acetylene-rich structure of graphdiyne to anchor metal oxides with strong d-πinteractions,the activity and stability of com-RuO2 for OER were significantly enhanced by mixing with NSGD-800.The zinc-air battery(ZAB)with NSGD shows a much higher peak power density(87.3 mW cm^(−2))and longer charge-discharge cycle stability compared with the ZAB with Pt/C,making it an excellent candidate air electrode for ZAB and other energy storage and conversion devices.
