First-Principles Prediction of Potentials and Space-Charge Layers in All-Solid-State Batteries
Journal Article
·
· Physical Review Letters
- Michigan State University, East Lansing, MI (United States)
As all-solid-state batteries (SSBs) develop as an alternative to traditional cells, a thorough theoretical understanding of driving forces behind battery operation is needed. We present a fully first-principles-informed model of potential profiles in SSBs and apply the model to the Li/LiPON/LixCoO2 system. The model predicts interfacial potential drops driven by both electron transfer and Li+ space-charge layers that vary with the SSB’s state of charge. Furthermore, the results suggest a lower electronic ionization potential in the solid electrolyte favors Li+ transport, leading to higher discharge power.
- Research Organization:
- Energy Frontier Research Centers (EFRC) (United States). Nanostructures for Electrical Energy Storage (NEES); Univ. of Maryland, College Park, MD (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- SC0001160
- OSTI ID:
- 1658626
- Alternate ID(s):
- OSTI ID: 1508442; OSTI ID: 1610542
- Journal Information:
- Physical Review Letters, Vol. 122, Issue 16; ISSN 0031-9007
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Cited by: 53 works
Citation information provided by
Web of Science
Web of Science
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