2019
DOI: 10.1021/acsaem.9b00861
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Lithium Ion Conductivity in Double Antiperovskite Li6.5OS1.5I1.5: Alloying and Boundary Effects

Abstract: Solid electrolytes based on theoretically identified double antiperovskite phases Li 6 OSI 2 were successfully synthesized. Experimental characterization supported the theoretical prediction that S substitution of O leads to stabilization of the double antiperovskite structure and lattice softening to significantly enhance ionic conductivity, so that the total Li + conductivity in Li 6.5 OS 1.5 I 1.5 was two to three orders better than that of the best stoichiometric antiperovskite phase Li 3 OCl. However, bot… Show more

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Cited by 45 publications
(33 citation statements)
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“…Thus, the present Li + transport mechanism of highly conductive Li 3 OX and "Li 3 OCl glass" needs to be confirmed. Moreover, the lithium oxyhalide SSEs with derived structures from antiperovskite, for example, layered antiperovskite Li 7 O 2 Br 3 , antispinel Li 3 OBr, 43 double antiperovskite Li 6 OSI 2 , 44,45 and low-dimensional networked antiperovskite 46 are all predicted with high ionic conductivity, and also need to be experimentally verified. Although the crystal structures of lithium halide hydroxides possess more Li vacancies than lithium oxyhalides, the Li + conductivity of the lithium halide hydroxide (10 À8 -10 À5 S cm À1 ) is generally lower than that of lithium oxyhalide (10 À6 -10 À2 S cm À1 ) due to the repulsive force of the frozen H hindered Li + transport.…”
Section: Oxyhalide Antiperovskitesmentioning
confidence: 99%
“…Thus, the present Li + transport mechanism of highly conductive Li 3 OX and "Li 3 OCl glass" needs to be confirmed. Moreover, the lithium oxyhalide SSEs with derived structures from antiperovskite, for example, layered antiperovskite Li 7 O 2 Br 3 , antispinel Li 3 OBr, 43 double antiperovskite Li 6 OSI 2 , 44,45 and low-dimensional networked antiperovskite 46 are all predicted with high ionic conductivity, and also need to be experimentally verified. Although the crystal structures of lithium halide hydroxides possess more Li vacancies than lithium oxyhalides, the Li + conductivity of the lithium halide hydroxide (10 À8 -10 À5 S cm À1 ) is generally lower than that of lithium oxyhalide (10 À6 -10 À2 S cm À1 ) due to the repulsive force of the frozen H hindered Li + transport.…”
Section: Oxyhalide Antiperovskitesmentioning
confidence: 99%
“…It was noted that serious particle boundary issues were experienced in cold‐processing their lithium ion counterparts (Li‐APs), due to their brittleness and thus poor deformability. Recently, some practical strategies, such as amorphization [53,54] or mixing/wetting with liquid organic electrolyte, [55] have been demonstrated to help reduce the boundary problems in anti‐perovskite Li‐APs.…”
Section: Introductionmentioning
confidence: 99%
“…Using solid electrolyte to replace the flammable liquid electrolyte can largely relieve the thermal runaway risk of the conventional Li ion batteries (Janek and Zeier, 2016;Xia et al, 2019;Chen et al, 2020a;Gao et al, 2020). Currently, solidstate electrolytes (SSEs) include argyrodite (e.g., Li 6 PS 5 Cl) (Deiseroth et al, 2008), sulfides (e.g., Li 9.54 Si 1.74 P 1.44 S 11.7 Cl 0.3 ) (Kato et al, 2016;Xiao et al, 2021), LISICON (e.g., Li 2+x Zn 1-x GeO 4 ) (Adachi et al, 1996), NASICON (e.g., Li 1.3 Al 0.3 Ti 1.7 (PO 4 ) 3 ) (Deng et al, 2015), garnet (e.g., Li 7 La 3 Z r2 O 12 ) (Murugan et al, 2007;Huang et al, 2020;Huo et al, 2020), perovskite (e.g., Li 0.5 La 0.5 TiO 3 ) (Conductor et al, 2000), and Li rich anti-perovskite (LiRAP, e.g., Li 3 OCl 0.5 Br 0.5 ) (Zhao and Daemen, 2012;Emly et al, 2013;Li et al, 2016a;Hood et al, 2016;Zhu et al, 2016;Xu et al, 2019;Yin et al, 2020) have been widely investigated. Their Li ion conductivities are in the levels of 10 -6 ∼ 10 -2 S cm −1 with the activation energy being in the range of 0.2-0.6 eV.…”
Section: Introductionmentioning
confidence: 99%