Affiliation:
1. Center for Public Security Technology, University of Electronic Science and Technology of China, Chengdu 610054, China
Abstract
Mechanically stable electrode materials are very important for the safety of the development of lithium ion batteries (LIBs). Group IVA (Si, Ge and Sn) based materials have emerged as alternative anode materials for LIBs with high storage capacity. In this work, the mechanical stability of group IVA (Si, Ge and Sn) materials after Li insertion was investigated using density functional theory. The results of Li insertion and electron doping into group IVA (Si, Ge and Sn) materials were compared. It was shown that both Li insertion and electron doping lead to significant volume expansion and elastic softening, the elastic constants [Formula: see text] and [Formula: see text] decrease with the increase of Li and electron concentration. A brittle to ductile transition occurs in Si and Ge materials by electron and Li doping. The results reveal the mechanism of the decrease of mechanical stability of group IV materials upon lithiation is due to the electron-doping effect.
Funder
National Natural Science Foundation of China
Fundamental Research Funds for the Central Universities
Publisher
World Scientific Pub Co Pte Lt
Subject
Condensed Matter Physics,Statistical and Nonlinear Physics
Cited by
2 articles.
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