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| Type |
Oral Presentation |
| Area |
Oral Presentation of Young Material Chemists |
| Room No. |
Room 405+406 |
| Time |
THU 10:12-10:24 |
| Code |
MAT.O-7 |
| Subject |
Phographene Nanosheet for High-Performance Lithium-Ion Battery Anode Applications |
| Authors |
Siby Thomas, Sang Uck Lee1,*
Department of Bio-Nano Engineering, Hanyang University, Ansan, Korea
1Department of Bio-Nano Engineering, Hanyang University, Korea
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| Abstract |
The progress of eco-friendly, clean, and sustainable energy resources always demands suitable anode material for batteries with high structural stability and superior storage capacity. Herein, based on first-principles density functional theory (DFT) predictions, we systematically investigated the potential applications of α- and β phographene (PhoG) nanosheet1 as anode material for future Lithium-ion batteries (LIBs). Our calculations show that the PhoG nanosheet possesses significant structural, electronic, and mechanical stability with high metallicity which provided enhanced conductivity for LIB application. Our results reveal that α-PhoG nanosheet show a higher theoretical specific capacity for Li atoms (Li1.8C6) compared to the LiC6 of graphite and other recently reported planar carbon allotropes.2-4 We also found that both the PhoG nanosheets show fast Li mobility with a low diffusion barrier for Li atoms (< 0.30 eV) as well as low average open circuit voltage (~ 0.25 V). In view of these excellent properties, our work predicts that both the α- and β PhoG can be promising anode materials for the development of future LIBs with low-cost and high-performance.
(1) Fan, X. Y.; Li, J.; Chen, G. RSC Adv 2017, 7 (28), 17417-17426.
(2) Li, X. Y.; Wang, Q.; Jena, P. J Phys Chem Lett 2017, 8 (14), 3234-3241.
(3) Ferguson, D.; Searles, D. J.; Hankel, M. ACS Appl Mater Inter 2017, 9 (24), 20577-20584.
(4) Thomas, S.; Nam, E. B.; Lee, S. U. ACS Appl Mater Inter 2018, 10 (42), 36240-36248.
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| E-mail |
sibythomas1989@gmail.com |
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123rd General Meeting of the KCS