| Abstract Scope |
The future of our planet relies heavily on Li-ion batteries. They provide a sustainable alternative to burning fossil fuels. However, a major challenge in battery manufacturing is the shortage of natural graphite, which serves as the key ingredient for the anode material. In this work, we address the physical questions surrounding this dilemma. We have expanded our existing protocol for simulating layered carbon structures, such as amorphous graphite, nanotubes, and fullerenes [1-3], to include non-carbon elements like oxygen, nitrogen, and sulfur. We study the bonding and layering mechanism of these foreign elements in the carbon matrix. This work contributes significantly to the development of sustainable battery technologies.
References:
[1] R. Thapa et. al. Phys Rev Lett 128 236402 (2022).
[2] C. Ugwumadu et. al. Carbon Trends 10 (2023)
[3] C. Ugwumadu et. al. Phys. Status Solidi B, 260: 2200527 (2023) |