Ab Initio Calculations of Ideal Strength and Electronic Property of Hydrogenated-Biphenylene Monolayer
Journal
Lecture Notes in Mechanical Engineering
Start Page
415
End Page
421
ISSN
21954364
21954356
Date Issued
2024
Author(s)
Abstract
In this study, we examine the mechanical and electronic properties of the hydrogenated-biphenylene (HB) monolayer using Ab initio calculations. We find that the HB monolayer has anisotropic mechanical properties. The Young’s modulus of the HB monolayer is 222.73 (N/m) and 155 (N/m) along the x and y directions, respectively. The ideal strength of the HB monolayer along the x direction (21.23 N/m) is higher than that along the y direction (13.79 N/m). Moreover, our obtained results demonstrate that the HB monolayer is an indirect bandgap semiconductor at the equilibrium state, with a bandgap of 3.45?eV. We find that an indirect to direct bandgap semiconductor transition occurs at the strain of 12% along the x direction. The results presented in this study elucidate the intrinsic properties of HB monolayer under the tensile strain, which are useful for making devices based on HB monolayer.
Event(s)
3rd International Annual Conference on Material, Machines and Methods for Sustainable Development, MMMS 2022
Subjects
Ab-initio Calculations
Electronic Property
Hydrogenated-biphenylene
Ideal Strength
Energy Gap
Hydrogenation
Monolayers
Tensile Strain
Ab Initio Calculations
Anisotropic Mechanical Properties
Band-gap Semiconductors
Biphenylene
Equilibrium State
Hydrogenated-biphenylene
Ideal Strength
Indirect Bandgap Semiconductors
Mechanical And Electronic Properties
Semiconductor Transition
Electronic Properties
Publisher
Springer Science and Business Media Deutschland GmbH
Description
3rd International Annual Conference on Material, Machines and Methods for Sustainable Development, MMMS 2022. Can Tho. Conference code: 310249
Type
conference paper