@article{52aa9a140e8740b18529ac627505398f,
title = "Anionic redox in a-(Mo3S11)n polymer cathode for all-solid-state Li-ion battery",
abstract = "Lithium-ion battery that consists of a cathode made of (Mo3S11)n polymer and an anode of Li metal exhibits a high gravimetric-capacity, 673.3 mAh g−1. A flexible structure of the (Mo3S11) n polymer enables consecutive redox reactions of the S2 2− dimer and the Mo atoms. According to X-ray absorption near-edge spectroscopy, X-ray photoelectron spectroscopy and Raman spectroscopy, the chemical bonds of Mo–S and S–S in the polymer elongate by accepting electrons up to 16, while the Mo–Mo bond does not change much during the redox reactions. Although the polymer cathode is put in a solid-state electrolyte, the S2 2− dimer that is redoxed by the reaction of S2 2− + 2e− → 2S2− forms Li–S–Li bonds, which is an origin of the high capacity of the battery. The redox reactions in the (LixMo3S11)n polymer cathode is theoretically confirmed by first principles calculation.",
keywords = "Amorphous metal-polysulfides, Anionic redox, First principles calculation, Lithium ion battery",
author = "Truong, {Quang Duc} and Yin, {Li Chang} and Hung, {Nguyen T.} and Nguyen, {Duc N.} and Yoshiyuki Gambe and Keiichiro Nayuki and Yoshikazu Sasaki and Hiroaki Kobayashi and Riichiro Saito and Tran, {Phong D.} and Itaru Honma",
note = "Funding Information: This research work was financially supported by Japan Society for Promotion of Science ( JSPS , Grant No. PU15903 ), Japan, and ALCA-SPRING (ALCA-Specially Promoted Research for Innovative Next Generation Batteries) from Japan Science and Technology Agency (JST). R. S. acknowledges JSPS KAKENHI Grants No. JP18H01810 . The theoretical calculations are performed on TianHe-1(A) at National Supercomputer Center in Tianjing and Tianhe-2 at National Supercomputer Center in Guangzhou. This work was partly supported by National Science Fund of China (No. 51472249 ). L.C.Y. is also grateful for the help from the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (second phase) under Grant No. U1501501 . P. D. Tran acknowledges the National Foundation for Science and Technology Development (NAFOSTED) for funding support through the project code 103.99–2015.46. Appendix A Funding Information: This research work was financially supported by Japan Society for Promotion of Science (JSPS, Grant No. PU15903), Japan, and ALCA-SPRING (ALCA-Specially Promoted Research for Innovative Next Generation Batteries) from Japan Science and Technology Agency (JST). R. S. acknowledges JSPS KAKENHI Grants No. JP18H01810. The theoretical calculations are performed on TianHe-1(A) at National Supercomputer Center in Tianjing and Tianhe-2 at National Supercomputer Center in Guangzhou. This work was partly supported by National Science Fund of China (No. 51472249). L.C.Y. is also grateful for the help from the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (second phase) under Grant No. U1501501. P. D. Tran acknowledges the National Foundation for Science and Technology Development (NAFOSTED) for funding support through the project code 103.99?2015.46. Publisher Copyright: {\textcopyright} 2019",
year = "2020",
month = feb,
day = "1",
doi = "10.1016/j.electacta.2019.135218",
language = "English",
volume = "332",
journal = "Electrochimica Acta",
issn = "0013-4686",
publisher = "Elsevier Limited",
}
