Enhancing Chemical Interaction of Polysulfide and Carbon through Synergetic Nitrogen and Phosphorus Doping

Song, Junhua; Zheng, Jianming; Zhang, Renqin; Fu, Shaofang; Zhu, Chengzhou; Feng, Shuo; McEwen, Jean-Sabin; Du, Dan; Li, Xiaolin; Lin, Yuehe

doi:10.1021/acssuschemeng.9b04719

Title: Enhancing Chemical Interaction of Polysulfide and Carbon through Synergetic Nitrogen and Phosphorus Doping

Journal Article · Thu Dec 12 00:00:00 EST 2019 · ACS Sustainable Chemistry & Engineering

DOI:https://doi.org/10.1021/acssuschemeng.9b04719· OSTI ID:1772336

Song, Junhua ^[1]; Zheng, Jianming ^[2];

^[1]; Fu, Shaofang ^[1]; Zhu, Chengzhou ^[1]; Feng, Shuo ^[1];

^[3];

^[1]; Li, Xiaolin ^[2];

^[1]

Washington State Univ., Pullman, WA (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Washington State Univ., Pullman, WA (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

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. In conclusion, 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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Research Organization:: Washington State Univ., Pullman, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: SC0014560

OSTI ID:: 1772336

Journal Information:: ACS Sustainable Chemistry & Engineering, Vol. 8, Issue 2; ISSN 2168-0485

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Enhancing Chemical Interaction of Polysulfide and Carbon through Synergetic Nitrogen and Phosphorus Doping

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