Effect of Defects and Solvents on Silicene Cathode of Nonaqueous Lithium–Oxygen Batteries: A Theoretical Investigation

• Published in: Journal of physical chemistry. C Vol. 123; no. 1; pp. 205 - 213
• Main Author: Yu, Yang-Xin
• Format: Journal Article
• Language: English
• Published: American Chemical Society 10.01.2019
• Subjects: adsorption; batteries; byproducts; cathodes; density functional theory; dimethyl sulfoxide; electrochemistry; energy; hydrophobicity; lithium; moieties; oxygen; solvents

Silicene has recently shown high electrochemical performance with discharging product Li2O(s) and high stability, avoiding discharging byproducts for nonaqueous lithium–oxygen batteries. At the fundamental level, little was known about the effect of defects existing in silicene surface and various s...