Jump to main content
Jump to site search

Issue 3, 2020
Previous Article Next Article

Strain-engineered BlueP–MoS2 van der Waals heterostructure with improved lithiation/sodiation for LIBs and SIBs

Author affiliations

Abstract

Innovative van der Waals (vdW) heterostructures formed from various monolayers exhibit exceptional physical properties relevant to their corresponding individual layers. In addition, the strain engineering of 2D materials is significantly exciting because they have the potential to sustain much larger strain in comparison to their bulk counterparts. In this work, the influence of strain on a BlueP–MoS2 van der Waals heterostructure was studied in order to explore its performance in LIBs/SIBs by first-principles DFT calculations. To ascertain the influence of strain on the performance of the BlueP–MoS2 van der Waals heterostructure for electrodes in LIBs/SIBs, we gathered vertically aligned monolayers of MoS2 and BlueP with different amounts of strain and studied the Li/Na storage properties of the said material. The application of strain could effectively enhance the adsorption capability of both Li/Na at the surfaces/interface of the BlueP–MoS2 heterostructure in comparison to that of the pristine BlueP–MoS2 heterostructure along with improved storage capacity. On the other hand, the application of strain is robust to the high mobility of both Li/Na inside and outside surfaces of BlueP–MoS2 heterostructure which ensures the fast charge/discharge process and improved rate performance. The calculated electronic structure revealed that the applied strain converted the BlueP–MoS2 heterostructure from a semiconductor to a metal, indicating enhanced conductivity compared to that for the pristine BlueP–MoS2 heterostructure. All the above-mentioned findings suggest the high potential application of the BlueP–MoS2 vdW heterostructures for flexible nanoelectronic devices.

Graphical abstract: Strain-engineered BlueP–MoS2 van der Waals heterostructure with improved lithiation/sodiation for LIBs and SIBs

Back to tab navigation

Supplementary files

Article information


Submitted
05 Aug 2019
Accepted
27 Nov 2019
First published
20 Dec 2019

Phys. Chem. Chem. Phys., 2020,22, 1701-1714
Article type
Paper

Strain-engineered BlueP–MoS2 van der Waals heterostructure with improved lithiation/sodiation for LIBs and SIBs

G. Barik and S. Pal, Phys. Chem. Chem. Phys., 2020, 22, 1701
DOI: 10.1039/C9CP04349G

Social activity

Search articles by author

Spotlight

Advertisements