A two-dimensional AlN/Zr2CO2 heterojunction with favorable photocurrent and carrier mobility

被引:28
作者
Gao, Xin [1 ]
Cui, Zhen [1 ,2 ]
Wu, Pengfei [1 ]
机构
[1] Xian Univ Technol, Sch Automat & Informat Engn, Xian 710048, Peoples R China
[2] Xian Univ Technol, Xian Key Lab Wireless Opt Commun & Network Res, Xian 710048, Peoples R China
关键词
Heterojunction; Carrier mobility; Two-dimensional materials; Photogalvanic effect; Light absorption coefficient; DFT; HYDROGEN EVOLUTION; OPTICAL-PROPERTIES; TRANSITION; MXENES;
D O I
10.1016/j.jallcom.2025.179127
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The stability, optical properties, carrier mobility, and photonic effects of the AlN/Zr2CO2 heterojunction constructed from monolayers of AlN and Zr2CO2 are calculated using first-principles methods. The AlN/Zr2CO2 heterostructure exhibits a reduced bandgap, which facilitates the excitation of photo-generated electrons. It is classified as a type I indirect bandgap semiconductor and demonstrates strong stability. The carrier mobility in the armchair direction of the AlN/Zr2CO2 heterojunction can reach up to 2312 cm2/Vs. Additionally, the heterojunction exhibits excellent light absorption capabilities, with a maximum absorption coefficient of 4.54 x 10-5 cm-1 across various wavelengths. The photogenerated current (Jph) resulting from the photonic effect can achieve a maximum value of 3.02 a20/photon. These results indicate that the AlN/Zr2CO2 heterojunction holds great promise for applications in photodetectors.
引用
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页数:8
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