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Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques

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Lithium cobalt(II) pyrophosphate, Li(1.86)CoP(2)O(7), from synchrotron X-ray powder data.

Hui Zhou¹, Shailesh Upreti, Natasha A Chernova

¹Chemistry and Materials, SUNY Binghamton, Binghamton, NY, USA.

Acta Crystallographica. Section E, Structure Reports Online

|November 9, 2011

Summary

This study reveals the crystal structure of Li(1.865)CoP(2)O(7), highlighting its potential for lithium ion battery applications due to its unique 3D framework and cation disorder.

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Area of Science:

Materials Science
Solid-State Chemistry
Crystallography

Background:

Lithium cobalt pyrophosphates are promising materials for energy storage.
Understanding the precise crystal structure is crucial for optimizing material properties.

Purpose of the Study:

To refine the crystal structure of Li(1.865)CoP(2)O(7) using X-ray diffraction.
To investigate the coordination environments of cobalt and lithium ions.
To explore the structural implications for lithium ion battery applications.

Main Methods:

High-resolution X-ray powder diffraction
Inductively Coupled Plasma (ICP) measurements
Structural refinement
Magnetic susceptibility measurements

Main Results:

The composition was determined as Li(1.865)CoP(2)O(7).
Two distinct cobalt sites (CoO5 square pyramid and CoO6 octahedron) were identified, forming a 3D framework with intersecting tunnels.
Cation disorder was observed, with 13.5% cobalt occupying the lithium (Li1) site.
The average cobalt oxidation state was calculated as 2.135, consistent with magnetic susceptibility data.

Conclusions:

The determined crystal structure provides a basis for understanding the electrochemical properties of Li(1.865)CoP(2)O(7).
The 3D framework with tunnels and cation disorder suggests potential for lithium-ion transport, relevant for battery chemistry.
Further research into its electrochemical performance is warranted.