Journal
CHEMICAL COMMUNICATIONS
Volume 51, Issue 71, Pages 13619-13622Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cc04947d
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Funding
- Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub - U.S. Department of Energy, Office of Science and Basic Energy Sciences
- [3F-31144]
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A systematic first-principles evaluation of the insertion behavior of multi-valent cations in orthorhombic V2O5 is performed. Layer spacing, voltage, phase stability, and ion mobility are computed for Li+, Mg2+, Zn2+, Ca2+, and Al3+ intercalation in the alpha and delta polymorphs.
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