Novel phosphorus based 2D allotropes with ultra high mobility
Document Type
Article
Publication Date
4-24-2020
Department
Department of Physics
Abstract
Electronic structure calculations based on density functional theory were performed to investigate structural, mechanical and electronic properties of the phosphorene-based large honeycomb dumbbell (LHD) hybrid structures and a new phosphorene allotrope, referred to as ψ”-P. The LHD hybrids (i.e. X6P4; X being C/Si/Ge/Sn) and ψ”-P have significantly higher bandgaps than the corresponding pristine LHD structures except the case of C6P4, which is metallic. ψ”-P is found to be highly flexible p-type material which shows strain-engineered photocatalytic activity in a highly alkaline medium. Moreover, the carrier mobility of the considered systems comes out to be as high as 105 cm2V -1 s -1 (Specifically the electron mobility of LHD structures). The calculated STM images display the surface morphologies of LHD hybrids and ψ”-P. It is expected that the predicted phosphorus-based 2D structures with novel electronic properties can be candidate materials for nanoscale devices.
Publication Title
Nanotechnology
Recommended Citation
Kaur, S.,
Kumar, A.,
Srivastava, S.,
Kumar, T.,
&
Pandey, R.
(2020).
Novel phosphorus based 2D allotropes with ultra high mobility.
Nanotechnology.
http://doi.org/10.1088/1361-6528/ab8cf1
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/1850
Publisher's Statement
As the Version of Record of this article is going to be/has been published on a subscription basis, this Accepted Manuscript will be available for reuse under a CC BY-NC-ND 3.0 licence after a 12 month embargo period.