First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5.
نویسندگان
چکیده
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(+), Mg(2+), Zn(2+), Ca(2+), and Al(3+) intercalation in the α and δ polymorphs.
منابع مشابه
Emptying and filling a tunnel bronze† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c4sc03748k Click here for additional data file.
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ورودعنوان ژورنال:
- Chemical communications
دوره 51 71 شماره
صفحات -
تاریخ انتشار 2015