Synthesis and Characterization of a Molecularly Designed High-Performance Organodisulfide as Cathode Material for Lithium Batteries

Zulipiya Shadike; Hung Sui Lee; Chuanjin Tian; Ke Sun; Liang Song; Enyuan Hu; Iradwikanari Waluyo; Adrian Hunt; Sanjit Ghose; Yongfeng Hu; Jigang Zhou; Jian Wang; Paul Northrup; Seong Min Bak; Xiao Qing Yang

doi:10.1002/aenm.201900705

Synthesis and Characterization of a Molecularly Designed High-Performance Organodisulfide as Cathode Material for Lithium Batteries

Zulipiya Shadike, Hung Sui Lee, Chuanjin Tian, Ke Sun, Liang Song, Enyuan Hu, Iradwikanari Waluyo, Adrian Hunt, Sanjit Ghose, Yongfeng Hu, Jigang Zhou, Jian Wang, Paul Northrup, Seong Min Bak, Xiao Qing Yang

Department of Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

Abstract

An innovative organodisulfide compound, 2,3,4,6,8,9,10,12-Octathia biscyclopenta[b,c]-5,11-anthraquinone-1,7-dithione (TPQD), has been successfully designed, synthesized, and characterized as a cathode material for lithium batteries. A benzoquinone is introduced to coordinate with dithiolane through 1,4-dithianes. The molecular structure, electrochemical performances, and the lithiation/delithiation mechanism of the TPQD cathode have been systematically investigated. TPQD can deliver an initial capacity of 251.7 mAh g⁻¹ at a rate of C/10, which corresponds to the transfer of 4.7 electrons per formula. Highly reversible capacities and stable cyclic performances can be achieved at rates from C/10 to 5 C. Very interestingly, TPQD can retain a capacity of 120 mAh g⁻¹ after 200 cycles at the 5 C rate, which is quite impressive for organodisulfide compounds. X-ray absorption spectroscopy measurements and density functional theory calculation results suggest that such a high capacity is contributed by both O redox of the quinone group and the cleavage and recombination of the disulfide bond. Moreover, the extended π-conjugation structure of the material, introduced by benzoquinone and dithiane, is beneficial for improving the high rate capability and cyclic stability. This study illustrates an innovative approach in designing new organodisulfide compounds with improved cyclability and rate capability as cathode materials for high performance lithium batteries.

Original language	English
Article number	1900705
Journal	Advanced Energy Materials
Volume	9
Issue number	21
DOIs	https://doi.org/10.1002/aenm.201900705
Publication status	Published - 2019 Jun 5

Bibliographical note

Funding Information:
Z.S. and H.-S.L. contributed equally to this work. This work at Brookhaven National Laboratory was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Vehicle Technology Office of the U.S. Department of Energy through the Advanced Battery Materials Research (BMR) Program, including Battery500 Consortium under contract DESC0012704. This research used resources at beamlines 8-BM (TES), 28-ID-2 (XPD), and 23-ID-2 (IOS) of the National Synchrotron Light Source II, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. C.T. was supported by the Natural Science Foundation of Jiangxi Province of China (20142BAB212006). Work at the Canadian Light Source was supported by the CFI, the NSERC, the University of Saskatchewan, the Government of Saskatchewan, Western Economic Diversification Canada, the National Research Council Canada, and the Canadian Institutes of Health Research.

Publisher Copyright:
© 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

All Science Journal Classification (ASJC) codes

Renewable Energy, Sustainability and the Environment
Materials Science(all)

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1002/aenm.201900705

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Shadike, Z., Lee, H. S., Tian, C., Sun, K., Song, L., Hu, E., Waluyo, I., Hunt, A., Ghose, S., Hu, Y., Zhou, J., Wang, J., Northrup, P., Bak, S. M., & Yang, X. Q. (2019). Synthesis and Characterization of a Molecularly Designed High-Performance Organodisulfide as Cathode Material for Lithium Batteries. Advanced Energy Materials, 9(21), [1900705]. https://doi.org/10.1002/aenm.201900705

@article{d0105acd6a57443bb37c4b84bbfdc035,

title = "Synthesis and Characterization of a Molecularly Designed High-Performance Organodisulfide as Cathode Material for Lithium Batteries",

abstract = "An innovative organodisulfide compound, 2,3,4,6,8,9,10,12-Octathia biscyclopenta[b,c]-5,11-anthraquinone-1,7-dithione (TPQD), has been successfully designed, synthesized, and characterized as a cathode material for lithium batteries. A benzoquinone is introduced to coordinate with dithiolane through 1,4-dithianes. The molecular structure, electrochemical performances, and the lithiation/delithiation mechanism of the TPQD cathode have been systematically investigated. TPQD can deliver an initial capacity of 251.7 mAh g−1 at a rate of C/10, which corresponds to the transfer of 4.7 electrons per formula. Highly reversible capacities and stable cyclic performances can be achieved at rates from C/10 to 5 C. Very interestingly, TPQD can retain a capacity of 120 mAh g−1 after 200 cycles at the 5 C rate, which is quite impressive for organodisulfide compounds. X-ray absorption spectroscopy measurements and density functional theory calculation results suggest that such a high capacity is contributed by both O redox of the quinone group and the cleavage and recombination of the disulfide bond. Moreover, the extended π-conjugation structure of the material, introduced by benzoquinone and dithiane, is beneficial for improving the high rate capability and cyclic stability. This study illustrates an innovative approach in designing new organodisulfide compounds with improved cyclability and rate capability as cathode materials for high performance lithium batteries.",

author = "Zulipiya Shadike and Lee, {Hung Sui} and Chuanjin Tian and Ke Sun and Liang Song and Enyuan Hu and Iradwikanari Waluyo and Adrian Hunt and Sanjit Ghose and Yongfeng Hu and Jigang Zhou and Jian Wang and Paul Northrup and Bak, {Seong Min} and Yang, {Xiao Qing}",

note = "Funding Information: Z.S. and H.-S.L. contributed equally to this work. This work at Brookhaven National Laboratory was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Vehicle Technology Office of the U.S. Department of Energy through the Advanced Battery Materials Research (BMR) Program, including Battery500 Consortium under contract DESC0012704. This research used resources at beamlines 8-BM (TES), 28-ID-2 (XPD), and 23-ID-2 (IOS) of the National Synchrotron Light Source II, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. C.T. was supported by the Natural Science Foundation of Jiangxi Province of China (20142BAB212006). Work at the Canadian Light Source was supported by the CFI, the NSERC, the University of Saskatchewan, the Government of Saskatchewan, Western Economic Diversification Canada, the National Research Council Canada, and the Canadian Institutes of Health Research. Publisher Copyright: {\textcopyright} 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim",

year = "2019",

month = jun,

day = "5",

doi = "10.1002/aenm.201900705",

language = "English",

volume = "9",

journal = "Advanced Energy Materials",

issn = "1614-6832",

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Shadike, Z, Lee, HS, Tian, C, Sun, K, Song, L, Hu, E, Waluyo, I, Hunt, A, Ghose, S, Hu, Y, Zhou, J, Wang, J, Northrup, P, Bak, SM & Yang, XQ 2019, 'Synthesis and Characterization of a Molecularly Designed High-Performance Organodisulfide as Cathode Material for Lithium Batteries', Advanced Energy Materials, vol. 9, no. 21, 1900705. https://doi.org/10.1002/aenm.201900705

TY - JOUR

T1 - Synthesis and Characterization of a Molecularly Designed High-Performance Organodisulfide as Cathode Material for Lithium Batteries

AU - Shadike, Zulipiya

AU - Lee, Hung Sui

AU - Tian, Chuanjin

AU - Sun, Ke

AU - Song, Liang

AU - Hu, Enyuan

AU - Waluyo, Iradwikanari

AU - Hunt, Adrian

AU - Ghose, Sanjit

AU - Hu, Yongfeng

AU - Zhou, Jigang

AU - Wang, Jian

AU - Northrup, Paul

AU - Bak, Seong Min

AU - Yang, Xiao Qing

N1 - Funding Information: Z.S. and H.-S.L. contributed equally to this work. This work at Brookhaven National Laboratory was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Vehicle Technology Office of the U.S. Department of Energy through the Advanced Battery Materials Research (BMR) Program, including Battery500 Consortium under contract DESC0012704. This research used resources at beamlines 8-BM (TES), 28-ID-2 (XPD), and 23-ID-2 (IOS) of the National Synchrotron Light Source II, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. C.T. was supported by the Natural Science Foundation of Jiangxi Province of China (20142BAB212006). Work at the Canadian Light Source was supported by the CFI, the NSERC, the University of Saskatchewan, the Government of Saskatchewan, Western Economic Diversification Canada, the National Research Council Canada, and the Canadian Institutes of Health Research. Publisher Copyright: © 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

PY - 2019/6/5

Y1 - 2019/6/5

N2 - An innovative organodisulfide compound, 2,3,4,6,8,9,10,12-Octathia biscyclopenta[b,c]-5,11-anthraquinone-1,7-dithione (TPQD), has been successfully designed, synthesized, and characterized as a cathode material for lithium batteries. A benzoquinone is introduced to coordinate with dithiolane through 1,4-dithianes. The molecular structure, electrochemical performances, and the lithiation/delithiation mechanism of the TPQD cathode have been systematically investigated. TPQD can deliver an initial capacity of 251.7 mAh g−1 at a rate of C/10, which corresponds to the transfer of 4.7 electrons per formula. Highly reversible capacities and stable cyclic performances can be achieved at rates from C/10 to 5 C. Very interestingly, TPQD can retain a capacity of 120 mAh g−1 after 200 cycles at the 5 C rate, which is quite impressive for organodisulfide compounds. X-ray absorption spectroscopy measurements and density functional theory calculation results suggest that such a high capacity is contributed by both O redox of the quinone group and the cleavage and recombination of the disulfide bond. Moreover, the extended π-conjugation structure of the material, introduced by benzoquinone and dithiane, is beneficial for improving the high rate capability and cyclic stability. This study illustrates an innovative approach in designing new organodisulfide compounds with improved cyclability and rate capability as cathode materials for high performance lithium batteries.

AB - An innovative organodisulfide compound, 2,3,4,6,8,9,10,12-Octathia biscyclopenta[b,c]-5,11-anthraquinone-1,7-dithione (TPQD), has been successfully designed, synthesized, and characterized as a cathode material for lithium batteries. A benzoquinone is introduced to coordinate with dithiolane through 1,4-dithianes. The molecular structure, electrochemical performances, and the lithiation/delithiation mechanism of the TPQD cathode have been systematically investigated. TPQD can deliver an initial capacity of 251.7 mAh g−1 at a rate of C/10, which corresponds to the transfer of 4.7 electrons per formula. Highly reversible capacities and stable cyclic performances can be achieved at rates from C/10 to 5 C. Very interestingly, TPQD can retain a capacity of 120 mAh g−1 after 200 cycles at the 5 C rate, which is quite impressive for organodisulfide compounds. X-ray absorption spectroscopy measurements and density functional theory calculation results suggest that such a high capacity is contributed by both O redox of the quinone group and the cleavage and recombination of the disulfide bond. Moreover, the extended π-conjugation structure of the material, introduced by benzoquinone and dithiane, is beneficial for improving the high rate capability and cyclic stability. This study illustrates an innovative approach in designing new organodisulfide compounds with improved cyclability and rate capability as cathode materials for high performance lithium batteries.

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DO - 10.1002/aenm.201900705

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VL - 9

JO - Advanced Energy Materials

JF - Advanced Energy Materials

IS - 21

M1 - 1900705

ER -

Synthesis and Characterization of a Molecularly Designed High-Performance Organodisulfide as Cathode Material for Lithium Batteries

Abstract

Bibliographical note

All Science Journal Classification (ASJC) codes

UN SDGs

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