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Atomistic Conversion Reaction Mechanism of WO 3 in Secondary Ion Batteries of Li, Na, and Ca
Author(s) -
He Yang,
Gu Meng,
Xiao Haiyan,
Luo Langli,
Shao Yuyan,
Gao Fei,
Du Yingge,
Mao Scott X.,
Wang Chongmin
Publication year - 2016
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.201601542
Subject(s) - intercalation (chemistry) , ion , materials science , high resolution transmission electron microscopy , atomic units , amorphous solid , electrochromic devices , chemical physics , chemical bond , electrochromism , electrode , nanotechnology , chemistry , crystallography , inorganic chemistry , physics , organic chemistry , quantum mechanics , transmission electron microscopy
Intercalation and conversion are two fundamental chemical processes for battery materials in response to ion insertion. The interplay between these two chemical processes has never been directly seen and understood at atomic scale. Here, using in situ HRTEM, we captured the atomistic conversion reaction processes during Li, Na, Ca insertion into a WO 3 single crystal model electrode. An intercalation step prior to conversion is explicitly revealed at atomic scale for the first time for Li, Na, Ca. Nanoscale diffraction and ab initio molecular dynamic simulations revealed that after intercalation, the inserted ion–oxygen bond formation destabilizes the transition‐metal framework which gradually shrinks, distorts and finally collapses to an amorphous W and M x O (M=Li, Na, Ca) composite structure. This study provides a full atomistic picture of the transition from intercalation to conversion, which is of essential importance for both secondary ion batteries and electrochromic devices.