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Oxygen Doping Enhanced Lithiation in MgCl 2 for Battery Applications
Author(s) -
Zhu Jiajie,
Gandi Appala Naidu,
Gu Mu
Publication year - 2019
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201900166
Subject(s) - doping , battery (electricity) , materials science , monolayer , oxygen , context (archaeology) , electrode , diffusion , energy storage , nanotechnology , optoelectronics , chemical engineering , chemistry , power (physics) , physics , organic chemistry , quantum mechanics , engineering , paleontology , biology , thermodynamics
Li‐ion batteries are key electric energy storage devices due to high energy density and long cycling lifetime, being widely used in portable electronic devices and large scale systems. In spite of stable cycling performance, the graphite electrode suffers from a low capacity. It is demonstrated in this context that oxygen doping makes MgCl 2 electrochemically active. Importantly, the doped structure delivers a high capacity of 941 mAh g −1 for the bulk and 1098 mAh g −1 for the monolayer. The diffusion barrier is calculated to be lower than 0.6 eV. Hexagons and octahedrons composed of Li and Cl atoms are gradually formed with increasing Li coverage, breaking the Mg–Cl bonds.