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9. Insights into (Mn/Fe/Co)M–N–C dual-atom catalysts for the oxygen reduction reaction: the critical role of structural evolution.

Author

Zhang, Xiaoming, Wang, Suli, Xia, Zhangxun, Li, Huanqiao, Yu, Shansheng, and Sun, Gongquan

Subjects
MOLECULAR dynamics, COPPER, OXYGEN reduction, DYNAMIC stability, ELECTROCATALYSTS, TRANSITION metals
Abstract

Single-atom catalysts (SACs) based on metal–nitrogen–carbon (M–N–C) compounds have been identified as a potential substitute for Pt-based oxygen reduction reaction (ORR) catalysts due to their facile availability and low cost. M1M2–N–C based dual-atom catalysts (DACs) may be utilised to regulate the active site and optimise their ORR activity. Accordingly, M1M2–N6–C14 (M1 = Mn, Fe, Co; M2 = late transition metals) DACs were constructed within a graphene slab. M1M2–N–C is more stable than the corresponding M1–N–C and M2–N–C due to the affinity between M1 and M2. Furthermore, the ORR activity of FeM–N–C (M = late transition metals), MnM–N–C (Co, Ru, Rh, Os, Ir, and Re) and CoM–N–C (M = Cu, Zn, Pd, and Pt) is enhanced in comparison to that of Fe–N–C, due to the modified electronic properties. In comparison to other active ORR electrocatalysts, FeCu–N–C is positioned at a relatively high level on the volcano plot. To gain further insight into the dynamic stability of FeCu–N–C under working conditions (*OOH, 80 °C), an ab initio molecular dynamics simulation was employed. The accelerated structural evolution of the FeCu–N–C electrocatalyst resulted in the Cu atom being pulled out of the N–C substrate plane. Nevertheless, the resulting Fe(vacancy)–N–C and Fe(vacancy)–NH–C electrocatalysts have been observed to retain high ORR activity and stability. The findings of this study have significant implications for the design of DACs. [ABSTRACT FROM AUTHOR]

Published
2024
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10. A Shared Anode Flow Field for Direct Methanol Fuel Cell with Enhanced Performance and Decreased Volume.

Author

Liu, Yang, Gan, Haibo, Qin, Bin, Sun, Hai, and Sun, Gongquan

Subjects
POWER density, MASS transfer, DIRECT methanol fuel cells, ANODES
Abstract

Low‐volume power density remains a significant barrier to the portable application of direct methanol fuel cell (DMFC). Herein, a shared anode flow field (SAFF) structure is introduced in an active DMFC to reduce stack volume and improve discharge performance. The differences in discharge performance between the bi‐cell with SAFF and the bi‐cell with traditional anode flow field (TAFF), coupled with the effect of operating conditions on performance, are investigated by polarization curve, electrochemical impedance spectra, and voltage versus time curves. The results show that the SAFF structure enhances anode mass transfer, resulting in an improvement in peak power density and voltage stability of the bi‐cell compared to the TAFF structure. In addition, the bi‐cell with SAFF achieves its highest peak power density at a lower methanol concentration, alleviating the methanol crossover caused by high concentration. The SAFF structure is an attractive choice for DMFC portable applications. [ABSTRACT FROM AUTHOR]

Published
2024
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