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Title: Size-controlled Intercalation to Conversion Transition in Lithiation of Transition-Metal Chalcogenides – NbSe3

Transition metal chalcogenides (TMCs) can either be used as intercalation cathodes or as conversion type anodes for lithium ion batteries, for which two distinctively different lithiation reaction mechanisms govern the electrochemical performance of TMCs. However, it remains elusive that what controls the transition of lithiation mechanisms. Herein, we investigated the lithiation process of NbSe3 ribbons using in situ transmission electron microscopy (TEM) and observed a size dependent transition from intercalation to conversion reaction. The large NbSe3 ribbons can accommodate high concentration of Li+ through intercalation by relaxing its internal spacing, while lithiation of small NbSe3 ribbons proceeds readily to full conversion reaction. We find that the size dependent variation of lithiation mechanism is attributed to the Li+ diffusion in NbSe3 and the accommodation of newly formed phases, i.e., insufficient Li+ diffusion and limited space for accommodating the volume expansion induced by forming new phases in large size ribbons both impede the intercalation-to-conversion transition. These results demonstrate the inherent structural instability of NbSe3 as an intercalation cathode and fast lithiation rate as a promising conversion type anode.
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Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 1936-0851; 48379; KP1704020
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: ACS Nano; Journal Volume: 10; Journal Issue: 1
American Chemical Society
Research Org:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org:
Country of Publication:
United States
Environmental Molecular Sciences Laboratory