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SCI-E Article

Rational design of a PC3 monolayer: A high-capacity, rapidly charging anode material for sodium-ion batteries
성명 이상욱 ()
소속 대학원 바이오나노학과
캠퍼스
우수선정주 2020년 01월 1째주
Author Lee, Chi Ho (Dept Bionano Technol); Jun, Byeongsun (Dept Bionano Technol); 이상욱 (Dept Bionano Technol) corresponding author; Lee, Sang Uck (Dept Chem & Mol Engn);
Corresponding Author Info Jana, S (reprint author), Univ Liverpool, Dept Chem, Crown St, Liverpool L69 7ZD, Merseyside, England.; Lee, SU (reprint author), Hanyang Univ, Dept Bionano Technol, Ansan 15588, South Korea.
E-mail 이메일sulee@hanyang.ac.kr
Document Type Article
Source CARBON Volume:157 Issue: Pages:420-426 Published:2020
Times Cited 0
External Information http://dx.doi.org/10.1016/j.carbon.2019.10.086
Abstract Sodium-ion batteries (SIBs) have received a great deal of attention as an alternative to lithium-ion batteries due to their intrinsic safety and sodium's earth abundance. The major scientific challenge for a competitive sodium-ion battery technology is development of highly efficient anode materials. The stability of carbon materials and high specific capacity of phosphorus materials motivate us to examine carbon-phosphorus solid solutions as anode materials. Here, we rationally designed a puckered honeycomb structure of an ideal anode material, PC3 monolayer. According to first-principles calculations, this material has not only a high storage capacity of 1200 mA h g(-1), but also an ultra-low sodium diffusion energy barrier (E-a = 0.05 eV) and open-circuit voltage (0.41 V). The unique spatial arrangement of the hexagon rings (C-6, P2C4) makes PC3 monolayer a very promising anode material for SIBs. (C) 2019 Elsevier Ltd. All rights reserved.
Web of Science Categories Chemistry, Physical; Materials Science, Multidisciplinary
Funding Basic Science Research Program through the National Research Foundation of Korea (NRF) - Ministry of Science, ICT, and Future Planning [NRF-2018R1A2B6006320]; Creative Materials Discovery Program on Creative Multilevel Research Center [2018M3D1A1057844]
Language English
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