The sustainable storage of energy in renewable and environmental friendly batteries represent a central challenge. This thesis inspect the properties of a promising material, the NaNiO2, that can be used in future for assembly a Na - base battery. The thesis involve computational simulations, the usage of CP2K for the estimation of the Na diffusion energy barrier and the CRYSTAL program for the reconstruction of the Na diffusion Path and the compatibility estimations with solid state electrolytes.
The sustainable storage of energy in renewable and environmental friendly batteries represent a central challenge. This thesis inspect the properties of a promising material, the NaNiO2, that can be used in future for assembly a Na - base battery. The thesis involve computational simulations, the usage of CP2K for the estimation of the Na diffusion energy barrier and the CRYSTAL program for the reconstruction of the Na diffusion Path and the compatibility estimations with solid state electrolytes.
Ab-initio computational investigation of NaNiO2 for Na-batteries
RICOTTO, LUCA
2023/2024
Abstract
The sustainable storage of energy in renewable and environmental friendly batteries represent a central challenge. This thesis inspect the properties of a promising material, the NaNiO2, that can be used in future for assembly a Na - base battery. The thesis involve computational simulations, the usage of CP2K for the estimation of the Na diffusion energy barrier and the CRYSTAL program for the reconstruction of the Na diffusion Path and the compatibility estimations with solid state electrolytes.| File | Dimensione | Formato | |
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Master_Thesis_final_version.pdf
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https://hdl.handle.net/20.500.14240/8652