Computational Design of α-AsP/γ-AsP Vertical Two-Dimensional Homojunction for Photovoltaic Applications

Computational Design of α-AsP/γ-AsP Vertical Two-Dimensional Homojunction for Photovoltaic Applications

Based on first-principles calculations, we design a α-AsP/γ-AsP homojunction with minimum lattice distortion. It is found that the α-AsP/γ-AsP homojunction has an indirect bandgap with an intrinsic type-II band alignment. The proposed α-AsP/γ-AsP homojunction exhibits high optical absorption of <...

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Bibliographic Details
Main Authors: Yuliang Mao, Yuting Du, Zhipeng Huang, Guanhua Zhang, Jianmei Yuan
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Nanomaterials
Subjects:
AsP
homojunction
photoelectric conversion efficiency
strain
first-principles
Online Access:https://www.mdpi.com/2079-4991/12/10/1662

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