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

IF 2.8 3区材料科学 Q3 CHEMISTRY, PHYSICAL Silicon Pub Date : 2024-08-16 DOI:10.1007/s12633-024-03101-w

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

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Abstract

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.

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掺金属纳米笼和掺金属纳米管作为 ORR 和 OER 的有效催化剂

本文研究了 Fe-Si42、Fe-Al21N21、Cu-C60、Cu-B30P30、Fe-SiNT(9, 0)、Fe-AlNT(9, 0)、Cu-CNT(6, 0) 和 Cu-BPNT(6, 0) 在碱性环境中作为 OER 和 ORR 过程的纳米催化剂的能力。计算得出的掺铁和掺铜纳米笼以及掺铁和掺铜纳米管（Fe-Si42、Fe-Al21N21、掺铁和掺铜纳米管）的形成能都是可接受的值，而且这些结构是稳定的。与其他研究的催化剂相比，Fe-AlNNT（9，0）和 Cu-BPNT（6，0）对 OER/ORR 物种的吸附能力更高。Fe-Si42、Fe-Al21N21、Fe 和 Cu 掺杂纳米管上*OH 的去除和*OOH 的形成是碱性环境中 OER/ORR 过程的潜在决定性步骤。用于 OER/ORR 过程的 Fe-AlNNT(9, 0) 和 Cu-BPNT(6, 0) 催化剂的过电位低于其他已研究过的催化剂。建议将 Fe-AlNNT(9, 0) 和 Cu-BPNT(6, 0) 作为有效催化剂，用于催化碱性环境中的 OER/ORR 过程。

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来源期刊

Silicon CHEMISTRY, PHYSICAL-MATERIALS SCIENCE, MULTIDISCIPLINARY

CiteScore

5.90

自引率

20.60%

发文量

685

审稿时长

>12 weeks

期刊介绍： The journal Silicon is intended to serve all those involved in studying the role of silicon as an enabling element in materials science. There are no restrictions on disciplinary boundaries provided the focus is on silicon-based materials or adds significantly to the understanding of such materials. Accordingly, such contributions are welcome in the areas of inorganic and organic chemistry, physics, biology, engineering, nanoscience, environmental science, electronics and optoelectronics, and modeling and theory. Relevant silicon-based materials include, but are not limited to, semiconductors, polymers, composites, ceramics, glasses, coatings, resins, composites, small molecules, and thin films.