期刊
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
卷 8, 期 2, 页码 806-813出版社
AMER CHEMICAL SOC
DOI: 10.1021/acssuschemeng.9b04719
关键词
Carbon nanotube aerogel; Li-S battery; Polysulfide; Nitrogen and phosphorus doping; Chemical interaction
资金
- U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences [DE-5C0014560]
The shuttling effect of the polysulfide (PS) is the most detrimental factor that causes capacity fading of Li- S batteries. By substituting carbon atoms with heteroatoms, the host materials can provide a chemical interaction with PS to trap it within the electrochemically active range of the cathode. In this study, first-principles-based calculations identify the most stable nitrogen (N) and phosphorus (P) codoped atomic structures and their corresponding adsorption energy toward different PS species. Based on the simulated predictions, we introduce a glucosamine-derived carbon nanotube aerogel (CNA) with a secondary dopant of P during the synergetic polymerization and carbonization process. The N-P codoped CNA and S composite (NPCNA-S) renders a highly stable performance even at a sulfur loading of 3.5 mg cm(-2). The specific capacity is >900 mAh g(-1) and the stabilized capacity retention is >70% over 450 cycles at 0.2 C rate (1 C = 1675 mA g(-1)).
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