First-Principles Study on the Mechanical Properties of Lithiated Sn Anode Materials for Li-Ion Batteries

To deeply understand macroscopic failure behaviour of Sn anode materials for Li-ion batteries and make an optimization to electrode materials, based on first-principles calculation, this thesis systematically investigates evolution of mechanical properties of active materials and interfacial mechani...

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Bibliographic Details
Main Author: Zhang, Panpan
Format: Thesis
Published: Curtin University 2019
Online Access:http://hdl.handle.net/20.500.11937/76114
Description
Summary:To deeply understand macroscopic failure behaviour of Sn anode materials for Li-ion batteries and make an optimization to electrode materials, based on first-principles calculation, this thesis systematically investigates evolution of mechanical properties of active materials and interfacial mechanical properties of electrode-collector interfaces during lithiation processes. The micromechanical failure mechanism of Sn anodes is given. Based on obtained interface failure mechanism, an optimization to interface properties of electrode-collector interface is further conducted by using dopants.