Journal
ADVANCED ENERGY MATERIALS
Volume 8, Issue 20, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/aenm.201800379
Keywords
batteries; cathodes; conversion reactions; density functional theory; thermodynamics
Categories
Funding
- Joint Center for Energy Storage Research, an Energy Innovation Hub - U.S. Department of Energy (DOE), Office of Science and Basic Energy Sciences
- [3F-31144]
Ask authors/readers for more resources
A thermodynamic analysis of the driving forces is presented for intercalation and conversion reactions in battery cathodes across a range of possible working ion, transition metal, and anion chemistries. Using this body of results, the importance of polymorph selection as well as chemical composition on the ability of a host cathode to support intercalation reactions is analyzed. It is found that the accessibility of high energy charged polymorphs in oxides generally leads to larger intercalation voltages favoring intercalation reactions, whereas sulfides and selenides tend to favor conversion reactions. Furthermore, it is observed that Cr-containing cathodes favor intercalation more strongly than those with other transition metals. Finally, it is concluded that two-electron reduction of transition metals (as is possible with the intercalation of a 2 + ion) will favor conversion reactions in the compositions studied.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available