| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advanced Materials for Energy Conversion and Storage 2024
|
| Presentation Title |
Synthesis and Design of Intercalation Electrodes through Data-enabled Workflows |
| Author(s) |
Rachel Davidson, Justin Andrews, Mark Pankow, Paige Pearson, Sarbajit Banerjee |
| On-Site Speaker (Planned) |
Rachel Davidson |
| Abstract Scope |
We have strategically explored a generalized hydrothermal route to formation of binary vanadium oxides by integrating data-enabled approaches into a traditional workflow for materials synthesis. Vanadium oxides demonstrate reversible intercalation of lithium and multivalent ions and have classically been studied to understand mechanisms of intercalation. A wide range of structurally diverse metastable VO compounds can be isolated due in large part to the range of relatively accessible and stable oxidation states of vanadium. Subtle shifts in synthetic parameters can often significantly alter the lattice connectivity, the redox state of metals within the lattice, the crystal growth direction, and particle morphology. Coupling design of experiment sampling methods with data-driven modeling and sequential learning has been effective in enabling strategic navigation of this potentially vast synthetic design space, resulting in isolation of seven distinct phases of VO and identification of key feature interactions. This approach represents a generalizable methodology to provide deterministic pathways towards design and discovery of intercalation electrode materials. |
| Proceedings Inclusion? |
Planned: |