Improving photoelectric perfomance with hydrogen on Al-doped ZnO

被引：20

作者：

Li, Lin ^{[1
]}

Zhang, Zhang ^{[1
]}

Wang, Jianpei ^{[1
]}

Yang, Ping ^{[1
]}

机构：

[1] Jiangsu Univ, Sch Mech Engn, Lab Adv Design Mfg & Reliabil MEMS NEMS OEDS, Zhenjiang 212013, Peoples R China

来源：

MATERIALS CHEMISTRY AND PHYSICS | 2022年 / 291卷

基金：

中国国家自然科学基金;

关键词：

H-Al co-Doped ZnO; Composite; Computation/computing; Photovoltaic; DFT simulation; OPTICAL-PROPERTIES; ELECTRONIC-STRUCTURE; 1ST PRINCIPLES; SOLAR-CELLS; FILMS; LAYERS; SI;

D O I：

10.1016/j.matchemphys.2022.126680

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

This paper gives a comprehensive analysis of the physical properties of Al-doped ZnO (AZO) and H-Al co-doped (HAZO), aiming to enhance the photoelectric property performances of ZnO as transparent conductive oxide (TCO), using density functional theory (DFT). Results showed that the lattice distortion of HAZO is smaller than that of AZO due to the repulsion of Al ions by H ions. Analysis of the electronic structure revealed that the carrier mobility of HAZO is higher than that of AZO due to the increased number of electrons at the conduction band minimum. Moreover, the conductivity of HAZO increased by 86% compared to AZO. The transmittance of HAZO is much higher than pure ZnO and AZO in the visible region and even reaching up to 95% above 600 nm. The current findings provide a theoretical basis for the possibility of co-doping Al-H with ZnO to promote its development in photovoltaic devices.

引用

页数：10

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