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Abnormal Ionic Conductivities in Halide NaBi 3 O 4 Cl 2 Induced by Absorbing Water and a Derived Oxhydryl Group
Author(s) -
Sun Jianguo,
Sun Qiaomei,
Plewa Anna,
Wang Yumei,
He Linchun,
Zheng Feng,
Chen Chao,
Zajac Wojciech,
Molenda Janina,
Zeng Kaiyang,
Lu Li
Publication year - 2020
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201912145
Subject(s) - ionic conductivity , ionic bonding , halide , diffusion , electrolyte , fast ion conductor , conductivity , chemistry , vacancy defect , inorganic chemistry , ion , crystallography , thermodynamics , physics , electrode , organic chemistry
In hunting for safe and cost‐effective materials for post‐Li‐ion energy storage, the design and synthesis of high‐performance solid electrolytes (SEs) for all‐solid‐state batteries are bottlenecks. Many issues associated with chemical stability during processing and storage and use of the SEs in ambient conditions need to be addressed. Now, the effect of water as well as oxyhdryl group ( . OH) on NaBi 3 O 4 Cl 2 are investigated by evaluating ionic conductivity. The presence of water and . OH results in an increase in ionic conductivity of NaBi 3 O 4 Cl 2 owing to diffusion of H 2 O into NaBi 3 O 4 Cl 2 , partially forming binding . OH through oxygen vacancy repairing. Ab initio calculations reveal that the electrons significantly accumulate around . OH and induce a more negative charge center, which can promote Na + hopping. This finding is fundamental for understanding the essential role of H 2 O in halide‐based SEs and provides possible roles in designing water‐insensitive SEs through control of defects.