Density functional theory study of nickel and copper single-atom catalysts on graphitic carbon nitride for benzene to phenol oxidation
Abstract During the present study, single-atom catalysts (SACs) were designed by decorating graphitic carbon nitride with copper (I) and nickel (I) ions. The designed catalysts were employed for studying the possible reaction pathways for benzene to phenol oxidation. The calculations were carried ou...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-04-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-025-95763-8 |
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