Single-atom cobalt encapsulated in carbon nanotubes as an effective catalyst for enhancing sulfur conversion in lithium-sulfur batteries
The application of single-atom catalysts offers an auspicious resolution to the obstacles introduced by the polysulfide shuttle phenomenon and the sluggish sulfur conversion kinetics in lithium–sulfur batteries (LSBs). This research presents results regarding a sulfur host that demonstrates redox ac...
| Main Authors: | , , , , , , , |
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| Format: | Article |
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Royal Society of Chemistry
2024
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| Online Access: | http://psasir.upm.edu.my/id/eprint/119900/ |
| _version_ | 1848868077317390336 |
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| author | Abd Malek, Emilia Abdulkareem-Alsultan, G. Nassar, Nassar Maadh Fawzi Samawi, Khalida Abaid Salman, Ekhlas Abd-alkuder Hasan, Hiba Ali Mahmoud, Hassaballa M. A. Mohealdeen, Sura Mohammad |
| author_facet | Abd Malek, Emilia Abdulkareem-Alsultan, G. Nassar, Nassar Maadh Fawzi Samawi, Khalida Abaid Salman, Ekhlas Abd-alkuder Hasan, Hiba Ali Mahmoud, Hassaballa M. A. Mohealdeen, Sura Mohammad |
| author_sort | Abd Malek, Emilia |
| building | UPM Institutional Repository |
| collection | Online Access |
| description | The application of single-atom catalysts offers an auspicious resolution to the obstacles introduced by the polysulfide shuttle phenomenon and the sluggish sulfur conversion kinetics in lithium–sulfur batteries (LSBs). This research presents results regarding a sulfur host that demonstrates redox activity and resistance to polymeric sulfur species (PSS). High-curvature carbon nanotubes are utilized in the construction of a single atom CoN4 catalyst through a series of steps including pyrolysis, surface processing, electrostatic adsorption, and polymerization. Undoubtedly, the presence of cobalt (Co) atoms as discrete entities was revealed by X-ray absorption spectroscopy and transmission electron microscopy, as these atoms showed dimensions consistent with the sulfur components on the cathode side. This configuration enables catalytic activity with a remarkable 100% atomic utilization functionality. Furthermore, the DFT calculation of free energy values indicates that the reduction of LiPSs on the carbon nanotube with surface curvature is more advantageous compared to the planar carbon surface. The obtained data suggest that the sulfur cathode, which was fabricated utilizing CoSAC/CNT, demonstrates electrocatalytic capability in the transformation of soluble polysulfides to insoluble Li2S. As a consequence, the detrimental effects of the polysulfide shuttle effect are mitigated. The recently introduced sulfur host in the LSB exhibits consistent performance over 1000 cycles. It sustains a capacity of 990 mA h g−1 at a rate of 1C, with a sulfur loading of 2.0 mg cm−2. An impressive area-specific power of 4.1 mA h cm−2 is achieved with a considerable sulfur loading of 7 mg cm−2. This single-atom cobalt catalyst shows significant potential as a next-generation cathode material for LSBs. |
| first_indexed | 2025-11-15T14:46:39Z |
| format | Article |
| id | upm-119900 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-15T14:46:39Z |
| publishDate | 2024 |
| publisher | Royal Society of Chemistry |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-1199002025-10-29T03:39:25Z http://psasir.upm.edu.my/id/eprint/119900/ Single-atom cobalt encapsulated in carbon nanotubes as an effective catalyst for enhancing sulfur conversion in lithium-sulfur batteries Abd Malek, Emilia Abdulkareem-Alsultan, G. Nassar, Nassar Maadh Fawzi Samawi, Khalida Abaid Salman, Ekhlas Abd-alkuder Hasan, Hiba Ali Mahmoud, Hassaballa M. A. Mohealdeen, Sura Mohammad The application of single-atom catalysts offers an auspicious resolution to the obstacles introduced by the polysulfide shuttle phenomenon and the sluggish sulfur conversion kinetics in lithium–sulfur batteries (LSBs). This research presents results regarding a sulfur host that demonstrates redox activity and resistance to polymeric sulfur species (PSS). High-curvature carbon nanotubes are utilized in the construction of a single atom CoN4 catalyst through a series of steps including pyrolysis, surface processing, electrostatic adsorption, and polymerization. Undoubtedly, the presence of cobalt (Co) atoms as discrete entities was revealed by X-ray absorption spectroscopy and transmission electron microscopy, as these atoms showed dimensions consistent with the sulfur components on the cathode side. This configuration enables catalytic activity with a remarkable 100% atomic utilization functionality. Furthermore, the DFT calculation of free energy values indicates that the reduction of LiPSs on the carbon nanotube with surface curvature is more advantageous compared to the planar carbon surface. The obtained data suggest that the sulfur cathode, which was fabricated utilizing CoSAC/CNT, demonstrates electrocatalytic capability in the transformation of soluble polysulfides to insoluble Li2S. As a consequence, the detrimental effects of the polysulfide shuttle effect are mitigated. The recently introduced sulfur host in the LSB exhibits consistent performance over 1000 cycles. It sustains a capacity of 990 mA h g−1 at a rate of 1C, with a sulfur loading of 2.0 mg cm−2. An impressive area-specific power of 4.1 mA h cm−2 is achieved with a considerable sulfur loading of 7 mg cm−2. This single-atom cobalt catalyst shows significant potential as a next-generation cathode material for LSBs. Royal Society of Chemistry 2024-01 Article PeerReviewed Abd Malek, Emilia and Abdulkareem-Alsultan, G. and Nassar, Nassar Maadh Fawzi and Samawi, Khalida Abaid and Salman, Ekhlas Abd-alkuder and Hasan, Hiba Ali and Mahmoud, Hassaballa M. A. and Mohealdeen, Sura Mohammad (2024) Single-atom cobalt encapsulated in carbon nanotubes as an effective catalyst for enhancing sulfur conversion in lithium-sulfur batteries. Molecular Systems Design & Engineering, 9 (5). pp. 464-476. ISSN 2058-9689 https://doi.org/10.1039/D3ME00191A 10.1039/d3me00191a |
| spellingShingle | Abd Malek, Emilia Abdulkareem-Alsultan, G. Nassar, Nassar Maadh Fawzi Samawi, Khalida Abaid Salman, Ekhlas Abd-alkuder Hasan, Hiba Ali Mahmoud, Hassaballa M. A. Mohealdeen, Sura Mohammad Single-atom cobalt encapsulated in carbon nanotubes as an effective catalyst for enhancing sulfur conversion in lithium-sulfur batteries |
| title | Single-atom cobalt encapsulated in carbon nanotubes as an effective catalyst for enhancing sulfur conversion in lithium-sulfur batteries |
| title_full | Single-atom cobalt encapsulated in carbon nanotubes as an effective catalyst for enhancing sulfur conversion in lithium-sulfur batteries |
| title_fullStr | Single-atom cobalt encapsulated in carbon nanotubes as an effective catalyst for enhancing sulfur conversion in lithium-sulfur batteries |
| title_full_unstemmed | Single-atom cobalt encapsulated in carbon nanotubes as an effective catalyst for enhancing sulfur conversion in lithium-sulfur batteries |
| title_short | Single-atom cobalt encapsulated in carbon nanotubes as an effective catalyst for enhancing sulfur conversion in lithium-sulfur batteries |
| title_sort | single-atom cobalt encapsulated in carbon nanotubes as an effective catalyst for enhancing sulfur conversion in lithium-sulfur batteries |
| url | http://psasir.upm.edu.my/id/eprint/119900/ http://psasir.upm.edu.my/id/eprint/119900/ http://psasir.upm.edu.my/id/eprint/119900/ |