Ti₂PTe₂ monolayer: a promising two-dimensional anode material for sodium-ion batteries.

ABSTRACT: Developing efficient anode materials with a good electrochemical performance has been a key scientific issue in the development of sodium ion batteries (SIBs). In this work, by means of density functional theory (DFT) computations, we demonstrate that two-dimensional (2D) Ti₂PTe₂ monolayer is a promising candidate for this application. The exfoliation of Ti₂PTe₂ monolayer from its experimentally known layered bulk phase is feasible due to the moderate cohesive energy. Different from many binary 2D transitions metal chalcogenides (TMCs) that are semiconducting, Ti₂PTe₂ monolayer is metallic with considerable electronic states at the Fermi level. Remarkably, Ti₂PTe₂ monolayer has a considerably high theor

SUBMITTER: Liu J 

PROVIDER: S-EPMC9064308 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature