Journal
RARE METALS
Volume 30, Issue 2, Pages 160-165Publisher
NONFERROUS METALS SOC CHINA
DOI: 10.1007/s12598-011-0217-5
Keywords
lithium batteries; electrochemical electrodes; tin alloys; first-principles calculations
Funding
- National Nature Science Foundation of China [50771046]
- Foundation from Department of Education of Guangdong Province [C10179]
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The physical characters and electrochemical properties of various phases in a Sn-Zn electrode, such as formation energy, plateau potential, specific capacity, as well as volume expansion, were calculated by the first-principles plane-wave pseudo-potential method based on the density functional theory. Sn-Zn films were also deposited on copper foils by an electroless plating technique. The actual composition and chemical characters were explored by scanning electron microscopy (SEM), X-ray diffraction (XRD), plasma atomic emission spectrometry (ICP), and constant current charge/discharge measurements (CC). The results show that separation phases with tin and zinc including a small quantity of Cu6Sn5 phase were obtained, the initial lithium insertion capacity of the Sn-Zn film was 661 mAh/g, and obvious potential plateaus of about 0.4 V and 0.7 V were displayed, which is in accordance with the results of theoretical calculations. The capacity of the Sn-Zn film decreased seriously with the increase of cycle number.
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