We gratefully acknowledge support from
the Simons Foundation and member institutions.
Full-text links:

Download:

Current browse context:

cond-mat.mtrl-sci

Change to browse by:

References & Citations

Bookmark

(what is this?)
CiteULike logo BibSonomy logo Mendeley logo del.icio.us logo Digg logo Reddit logo

Condensed Matter > Materials Science

Title: Deep learning of experimental electrochemistry for battery cathodes across diverse compositions

Abstract: Artificial intelligence (AI) has emerged as a tool for discovering and optimizing novel battery materials. However, the adoption of AI in battery cathode representation and discovery is still limited due to the complexity of optimizing multiple performance properties and the scarcity of high-fidelity data. In this study, we present a machine-learning model (DRXNet) for battery informatics and demonstrate the application in the discovery and optimization of disordered rocksalt (DRX) cathode materials. We have compiled the electrochemistry data of DRX cathodes over the past five years, resulting in a dataset of more than 19,000 discharge voltage profiles on diverse chemistries spanning 14 different metal species. Learning from this extensive dataset, our DRXNet model can automatically capture critical features in the cycling curves of DRX cathodes under various conditions. Illustratively, the model gives rational predictions of the discharge capacity for diverse compositions in the Li--Mn--O--F chemical space as well as for high-entropy systems. As a universal model trained on diverse chemistries, our approach offers a data-driven solution to facilitate the rapid identification of novel cathode materials, accelerating the development of next-generation batteries for carbon neutralization.
Subjects: Materials Science (cond-mat.mtrl-sci)
Cite as: arXiv:2304.04986 [cond-mat.mtrl-sci]
  (or arXiv:2304.04986v3 [cond-mat.mtrl-sci] for this version)

Submission history

From: Peichen Zhong [view email]
[v1] Tue, 11 Apr 2023 05:09:48 GMT (2510kb,D)
[v2] Thu, 21 Sep 2023 07:01:47 GMT (2622kb,D)
[v3] Tue, 2 Apr 2024 21:08:37 GMT (4493kb,D)

Link back to: arXiv, form interface, contact.