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OptiCarb focuses on understanding sodium-ion interactions in hard carbon anodes to enhance sodium storage capacity. By using molecular dynamics simulations, the project aims to create realistic models of hard carbon structures, facilitating the optimization of sodium-ion batteries for improved performance and efficienc…
OptiCarb overall aim is to understand the fundamental mechanisms of sodium-ion intercalation/adsorption in hard carbon anodes and find the optimum carbon atomic configuration that maximises the sodium storage capacity.
Experimentally it is difficult to unravel the mechanistic nature of sodium-carbon interactions, due to the complex atomic structure of hard carbons.
Therefore, theoretical studies based on molecular simulations are crucial, as they can achieve atomistic resolution.
However, up to…
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