@article{08685997548d451ca7cfd9829c600e17,
title = "Synthesis and understanding of Na11Sn2PSe12 with enhanced ionic conductivity for all-solid-state Na-ion battery",
abstract = "All-solid-state Na-ion batteries (NIBs) that incorporate nonflammable solid-state electrolytes and an inexhaustible alkali metal offer a potential solution to the safety and cost concerns associated with conventional Li-ion batteries that use liquid electrolytes. Na-ion solid-state electrolytes (SSEs) with high ionic conductivity are the key to success for all-solid-state NIBs. Here, we report a new Na-ion SSE, Na11Sn2PSe12, with a superior grain conductivity of 3.04 mS cm−1 and a total ionic conductivity of 2.15 mS cm−1 at 25 °C. Single-crystal X-ray diffraction, first-principles phonon calculations, and the proposed bonding energy model indicate that its superior ionic conductivity stems from the presence of a high density of dispersive Na+ vacancies, three-dimensional Na-ion conduction pathways, and a low bonding energy of the Na+ ion with its neighboring atoms. Na11Sn2PSe12 is used for the first time as the electrolyte in all-solid-state Na-Sn/TiS2 battery cell, which shows excellent rate performance and delivers a high reversible capacity of 66.2 mAh (g of TiS2)−1 after 100 cycles with cycling retention of 88.3% at a rate of 0.1 C at room temperature.",
author = "Zhaoxin Yu and Shang, {Shun Li} and Daiwei Wang and Li, {Yuguang C.} and Yennawar, {Hemant P.} and Guoxing Li and Huang, {Haw Tyng} and Yue Gao and Mallouk, {Thomas E.} and Liu, {Zi Kui} and Donghai Wang",
note = "Funding Information: Dr. Zhaoxin Yu and Dr. Shun-li Shang contributed equally to this work. The authors acknowledge financial support from the National Science Foundation (NSF) under grant DMR-1610430, and the Penn State 2017 ICS Seed Grant. First-principles calculations were carried out in part on the ACI clusters at the Pennsylvania State University, and in part on the resources of NERSC supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231 , and in part on the resources of XSEDE supported by NSF under grant ACI-1053575 . Funding Information: Dr. Zhaoxin Yu and Dr. Shun-li Shang contributed equally to this work. The authors acknowledge financial support from the National Science Foundation (NSF) under grant DMR-1610430, and the Penn State 2017 ICS Seed Grant. First-principles calculations were carried out in part on the ACI clusters at the Pennsylvania State University, and in part on the resources of NERSC supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231, and in part on the resources of XSEDE supported by NSF under grant ACI-1053575. Publisher Copyright: {\textcopyright} 2018",
year = "2019",
month = feb,
doi = "10.1016/j.ensm.2018.11.027",
language = "English (US)",
volume = "17",
pages = "70--77",
journal = "Energy Storage Materials",
issn = "2405-8297",
publisher = "Elsevier BV",
}