Ashraf, Muhammad Aqeel and Liu, Zhenling and Zhang, Dangquan and Najafi, Meysam (2020) Aluminum-doped silicon nanocage and boron-doped carbon nanocage as catalysts to oxygen reduction reaction (ORR): a computational investigation. Ionics, 26 (6). pp. 3085-3090. ISSN 0947-7047, DOI https://doi.org/10.1007/s11581-020-03450-7.
Full text not available from this repository.Abstract
The catalytic activity of Al-Si-78 and B-C-60 for ORR in acidic situation is investigated. The possible paths of studied mechanism on Al-Si-78 and B-C-60 are examined and the optimal reaction pathways are proposed. The Al-Si-78 and B-C-60 are catalyzed the ORR through three possible pathways. The obtained over potential on Al-Si-78 and B-C-60 as catalyst are lower than Pt-catalysts. The Al-Surface-*OH and B-Surface-*OH creations are rate-determining steps on surfaces of catalysts and their increment E-a are 29.0 kJ/mol and 30.9 kJ/mol. Finally, Al-Si-78 and B-C-60 can be considered as efficient catalysts for ORR.
| Item Type: | Article |
|---|---|
| Funders: | UNSPECIFIED |
| Uncontrolled Keywords: | ORR; Nanocage; DFT; Fullerene; Aluminum; Surface |
| Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
| Divisions: | Faculty of Science > Department of Geology |
| Depositing User: | Ms Zaharah Ramly |
| Date Deposited: | 26 Jun 2024 01:47 |
| Last Modified: | 26 Jun 2024 01:47 |
| URI: | http://eprints.um.edu.my/id/eprint/36630 |
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