Theoretical investigation of the two-dimensional V2C2/V2C2F2 as prospective host materials for Li- and Na-ion batteries

Theoretical investigation of the two-dimensional V2C2/V2C2F2 as prospective host materials for Li- and Na-ion batteries

Density functional theory calculations were employed to investigate the adsorption properties of Li and Na on the thermodynamically stable two-dimensional (2D) tetragonal vanadium carbide 3 × 3 V2C2 slab. The optimized structures of Lix@2D-V2C2 (x = 1–36) and Nax@2D-V2C2 (x = 1–32) were identified....

Full description

Saved in:
Bibliographic Details
Main Authors: Bo Xue, Sylvain Pitié, Haowen Xing, Qingfeng Zeng, Shuyin Yu, Gilles Frapper, Kehe Su
Format: Article
Language:English
Published: AIP Publishing LLC 2025-05-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0266541
Tags: Add Tag
No Tags, Be the first to tag this record!

Similar Items

Similar Items