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Ionic Crystal Structures

Ionic Crystal Structures

Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...

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$In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries$

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Lithium-ion storage in molybdenum phosphides with different crystal structures.

Xiaozhe Jin¹, Ruixue Tian, Aimin Wu

¹Key Laboratory of Energy Materials and Devices (Liaoning Province), School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, Liaoning Province, China. huanghao@dlut.edu.cn.

Dalton Transactions (Cambridge, England : 2003)

|February 1, 2020

Summary

Molybdenum phosphide (MoP2) nanoparticles exhibit superior performance as anode materials for lithium-ion batteries, offering high capacity and stability. This research highlights MoP2

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Area of Science:

Materials Science
Electrochemistry
Nanotechnology

Background:

Transition metal phosphides are promising anode materials for lithium-ion batteries.
They offer high theoretical capacity and low polarization.

Purpose of the Study:

To synthesize and evaluate molybdenum phosphide (MoP and MoP2) nanoparticles as anode materials for lithium-ion batteries.
To investigate the electrochemical storage mechanisms of these materials.

Main Methods:

Synthesis of MoP and MoP2 nanoparticles via phosphorization of Mo nanospheres.
Electrochemical testing of anode materials in lithium-ion batteries.
First-principles calculations to understand lithiation mechanisms.
Ex situ XRD and HRTEM for post-cycling analysis.

Main Results:

MoP2 nanoparticles delivered a stable capacity of 676.60 mA h g-1 after 300 cycles at 0.1 A g-1.
Hexagonal MoP nanoparticles showed a capacity of 312.38 mA h g-1.
First-principles calculations revealed different lithiation pathways for MoP2 (forming Li3P) and MoP (forming LixMoP).
Ex situ analyses confirmed conversion reactions in MoP2 electrodes.

Conclusions:

MoP2 nanoparticles are superior anode materials for lithium-ion batteries compared to MoP.
The enhanced performance of MoP2 is attributed to its crystal structure and favorable lithiation mechanism.
Understanding conversion reactions is key to designing high-performance battery anodes.