Truong, Quang DucQuang DucTruongYin, LichangLichangYinTUAN HUNG NGUYENNguyen, Duc N.Duc N.NguyenGambe, YoshiyukiYoshiyukiGambeNayuki, KeiichiroKeiichiroNayukiSasaki, YoshikazuYoshikazuSasakiKobayashi, HiroakiHiroakiKobayashiSaito, RiichiroRiichiroSaitoTran, Phong DinhPhong DinhTran2025-09-242025-09-242020https://www.scopus.com/inward/record.uri?eid=2-s2.0-85076699608&doi=10.1016%2Fj.electacta.2019.135218&partnerID=40&md5=7d709b219606cb465dd4a51cf97fb060https://scholars.lib.ntu.edu.tw/handle/123456789/732316Lithium-ion battery that consists of a cathode made of (Mo<inf>3</inf>S<inf>11</inf>)<inf>n</inf> polymer and an anode of Li metal exhibits a high gravimetric-capacity, 673.3 mAh g?1. A flexible structure of the (Mo<inf>3</inf>S<inf>11</inf>) <inf>n</inf> polymer enables consecutive redox reactions of the S<inf>2</inf> 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 S<inf>2</inf> 2? dimer that is redoxed by the reaction of S<inf>2</inf> 2? + 2e? → 2S2? forms Li–S–Li bonds, which is an origin of the high capacity of the battery. The redox reactions in the (Li<inf>x</inf>Mo<inf>3</inf>S<inf>11</inf>)<inf>n</inf> polymer cathode is theoretically confirmed by first principles calculation.Amorphous Metal-polysulfidesAnionic RedoxFirst Principles CalculationLithium Ion BatteryBond Strength (chemical)CalculationsCathodesDimersFlexible StructuresIonsRedox ReactionsSolid ElectrolytesSolid-state BatteriesX Ray AbsorptionX Ray Photoelectron SpectroscopyAmorphous MetalsAnionic RedoxFirst-principles CalculationGravimetric CapacityPolymer CathodesSolid-state ElectrolyteX-ray Absorption Near Edge SpectroscopyX-ray PhotoelectronsLithium-ion Batteries[SDGs]SDG7journal article10.1016/j.electacta.2019.1352182-s2.0-85076699608