In this project, an investigation on the effect of changing the elemental ratio (Si:B:O:C) on electrochemical behavior was performed. The elemental composition of SiBOC was optimized for achieving better energy storage characteristics. A correlation between the elemental composition /structure of the ceramic /distribution of carbon with its thermal conductivity and lithium storage capacity was established. The effect of free carbon and boron content on the electrochemical properties of SiBOC ceramics was studied at atom level. The properties such as diffusion of Li, formation energy, specific capacity, reversible capacity, porosity and volume expansion of SiBOC ceramics was predicted. The investigation results has supplemented the present ongoing investigation of the siliconboronoxycarbide (SiBOC) system in predicting the electrochemical behavior such as specific capacity, cyclic stability, and irreversible capacity.
National Institute of Technology (NIT) Jalandhar, Punjab
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