About this Abstract |
| Meeting |
MS&T24: Materials Science & Technology
|
| Symposium
|
Mesoscale Phenomena in Functional Polycrystals and Nanostructures
|
| Presentation Title |
Carbon, Coal and Graphite: A Simulation Approach |
| Author(s) |
Chinonso Ugwumadu, David A. Drabold |
| On-Site Speaker (Planned) |
Chinonso Ugwumadu |
| Abstract Scope |
The future sustainability of our planet hinges on Li-ion batteries as a viable alternative to fossil fuels. However, a critical challenge in battery production is the scarcity of natural graphite, essential for anode materials. One potential remedy involves heating bituminous coal at high temperatures to eliminate non-carbon elements and produce graphite substitutes. Yet, these materials have proven ineffective for batteries. In our study, we tackle this issue by expanding our simulation protocol to include non-carbon elements like oxygen, nitrogen, and sulfur in layered carbon structures. We investigate the bonding and layering mechanisms of these elements within the carbon matrix. This research aims to devise effective procedures for achieving optimal graphite structures, crucial for advancing sustainable battery technologies. |