Metal Doped Nanocages and Metal Doped Nanotubes as Effective Catalysts for ORR and OER

期刊论文
发表日期：

2024年8月16日

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Mohamed J. Saadh,
Mohammed Ahmed Mustafa,
Qusay Husam Aziz,
Anupam Yadav,
Mandeep Kaur,
Khalid Mujasam Batoo,
Muhammad Farzik Ijaz,
Salim B. Alsaadi,
Eftikhaar Hasan Kadhum,
Ahmed Read Al-Tameemi,
Khaldoon T. Falih,
Laith H. Alzubaidi,
Irfan Ahmad

摘要

Here, the abilities of Fe-Si₄₂, Fe-Al₂₁N₂₁, Cu-C₆₀, Cu-B₃₀P₃₀, Fe-SiNT(9, 0), Fe-AlNNT(9, 0), Cu-CNT(6, 0) and Cu-BPNT(6, 0) as nano-catalysts of OER and ORR processes are investigated in alkaline environment. The calculated formation energy of Fe- and Cu-doped nanocages and Fe- and Cu-doped nanotubes (Fe-Si₄₂, Fe-Al₂₁N₂₁, Fe and Cu doped nanotubes) are acceptable values and these structures are stable. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) have higher capacity for adsorption of OER/ORR species than other studied catalysts. The *OH removal and *OOH formation on Fe-Si₄₂, Fe-Al₂₁N₂₁, Fe and Cu doped nanotubes are potential-determining steps for OER/ORR processes in alkaline environment. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) catalysts for OER/ORR processes have lower over-potential than other studied catalysts. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) as effective catalysts are suggested to catalyze the OER/ORR processes in alkaline environment.