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• W4293532118 abstract "N-doped carbon-supported titanium nitride (TiN/NC) is considered promising for its application in Zn-air batteries. However, the performance of TiN/NC cannot meet the practical application. To solve this problem, the catalytic activity and stability of the catalyst can be improved by introducing the second metal element V. In this paper, a high-performance catalyst (Ti x V 1-x N/NC/C) was prepared by supporting titanium-vanadium binary transition metal nitride nanoparticles on nitrogen-doped carbon. The experimental results and density functional theory (DFT) calculations confirm that the electronic, atomic and microstructure of titanium nitride nanoparticles can be properly tuned by introducing V ions, which is beneficial to tune the adsorption/adsorption of oxygen intermediates on titanium nitride nanoparticles and decreasing the potential of the rate determining step, thereby increasing the catalytic activity. The Ti x V 1-x N/NC/C composite exhibits excellent ORR performance with an onset potential (E onset ) and limiting current density of 0.91 V (vs. RHE) and 4.90 mA∙cm -2 , respectively. The Ti 0.85 V 0.15 N/NC/C-based Zn-air battery exhibits the power density of 124.78 mW·cm -2 , open circuit voltage of 1.34 V and high specific capacity of 731.38 mAh·g -1 . More importantly, this work has deepened the understanding of the TMN-based catalytic mechanism and paved the way for enhancing the catalytic performance of TMN-based catalysts. The Ti x V 1-x N/NC composite exhibits superior ORR performance with a positive half-wave potential, a high limiting current density and excellent durability. The DFT calculations revealed that the enhanced ORR performance originates from its special atomic, micro, and electronic structures of titanium nitride nanoparticles can be properly modulated by introducing V ions, then optimizing the adsorption/desorption of ORR intermediates and reducing the potential of the decision step. • Dicyandiamide instead of ammonia was used skillfully to fabricate a novel high-performance Ti x V 1-x N/NC composite materials. • The Ti x V 1-x N/NC composite exhibits positive half-wave potential, high limiting current density, and excellent durability. • The Ti 0.85 V 0.15 N/NC-based Zn-air battery exhibits the highest power density, open circuit voltage and high specific capacity. • DFT calculations show that the adsorption/desorption of ORR intermediates can be optimized by introducing V ions, thereby reducing the potential for decision-making steps." @default.
• W4293532118 created "2022-08-30" @default.
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• W4293532118 date "2022-12-01" @default.
• W4293532118 modified "2023-09-26" @default.
• W4293532118 title "Investigate the role of V in the Nitrogen-doped hierarchical porous carbon-supported binary transition metal nitrides catalyst for oxygen reduction reactions" @default.
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• W4293532118 doi "https://doi.org/10.1016/j.jallcom.2022.166993" @default.
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