High storage capacity and small volume change of potassium-intercalation into novel vanadium oxychalcogenide monolayers V2S2O, V2Se2O and V2Te2O: An ab initio DFT investigation

• Published in: Applied surface science Vol. 546; p. 149062
• Main Author: Yu, Yang-Xin
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 30.04.2021
• Subjects: In-plane elastic constant; Potassium storage; Potassium-ion battery; Theory; Vanadium oxychalcogenide monolayer; Work function; Potassium-ion battery; Work function; Potassium storage; In-plane elastic constant; Vanadium oxychalcogenide monolayer; Theory

[Display omitted] •V2Ch2O monolayers exhibit highly mechanic, dynamic and thermal stabilities.•V2Ch2O monolayers have high storage capacities of potassium.•Lattice parameter changes are within 7.26% duaring K-intercalation.•There is no phase transition during K-intercalation, avoiding potential hyst...