Cover Feature: Li Decorated Graphdiyne Nanosheets: A Theoretical Study for an Electrode Material for Nonaqueous Lithium Batteries (Batteries & Supercaps 12/2024)

Abstract

The Cover Feature illustrates the optimized structures for lithium adsorbed on pristine and defective graphdiyne (GDY) nanosheets. The upper part (left) of the picture shows a perfect layer decorated with lithium (green), to the right is a plot of the charge density difference, showing a uniform distribution and a charge transfer from the lithium at one vertex. The lower part presents the structure after introducing a carbon vacancy showing a distortion, charge transfer from Li atoms and an asymmetric charge density difference that moves to the three connecting carbon atoms (blue). More information can be found in the Research Article by A. Juan and co-workers (DOI: 10.1002/batt.202400514).