Electronic Structure and Optical Properties of Li-doped ZnO Systems

SHI Xiu-yang; SU Xi-yu; WANG Mei

doi:10.3788/fgxb20143512.1455

您当前的位置：

首页 >

文章列表页 >

Electronic Structure and Optical Properties of Li-doped ZnO Systems

更新时间：2020-08-12

- Electronic Structure and Optical Properties of Li-doped ZnO Systems
- Chinese Journal of Luminescence Vol. 35, Issue 12, Pages: 1455-1458(2014)
- 作者机构：
  
  曲阜师范大学物理工程学院, 山东曲阜,273165
- 作者简介：
- 基金信息：
- DOI：10.3788/fgxb20143512.1455
  CLC： O472.3;O471.5
- Received：08 August 2014，
  
  Revised：15 October 2014，
  
  Published：03 December 2014
- 稿件说明：
移动端阅览
史秀洋, 苏希玉, 王梅. Li掺杂ZnO系统的电子结构和光学性质[J]. 发光学报, 2014,35(12): 1455-1458

SHI Xiu-yang, SU Xi-yu, WANG Mei. Electronic Structure and Optical Properties of Li-doped ZnO Systems[J]. Chinese Journal of Luminescence, 2014,35(12): 1455-1458
史秀洋, 苏希玉, 王梅. Li掺杂ZnO系统的电子结构和光学性质[J]. 发光学报, 2014,35(12): 1455-1458 DOI： 10.3788/fgxb20143512.1455.

SHI Xiu-yang, SU Xi-yu, WANG Mei. Electronic Structure and Optical Properties of Li-doped ZnO Systems[J]. Chinese Journal of Luminescence, 2014,35(12): 1455-1458 DOI： 10.3788/fgxb20143512.1455.

摘要

利用基于密度泛函理论的第一性原理方法

计算了Li掺杂ZnO系统的电子结构和光学性质.结果表明

随着掺杂浓度的增大

带隙线性增大

吸收边蓝移.由于杂质吸收

掺杂系统在可见光区附近产生了新的吸收峰

适度掺杂可以提高可见光的吸收率

改善系统的光催化特性.

Abstract

The electronic structures and optical properties of Li-doped ZnO systems were studied by the first-principle approach based on the density functional theory. The obtained results indicate that the band gap increases linearly and the absorption edge shifts to the short wavelength direction with the increasing of Li doping concentration. Due to the impurity absorption

a new absorption peak near the visible region in the doped system was observed. The absorption rate in visible light region can be promoted by suitable doping. Thus

the photocatalytic properties of system can be improved.

关键词

Keywords

references

Chen K, Fan G H, Zhang Y, et al. First-principle calculation of nitrogen-doped p-type ZnO [J]. Acta Phys. Chim . Sin.(物理化学学报), 2008, 24(1):61-66 (in Chinese).

Lv J G, Chen X M, Zhu J B, et al. Surface morphology and optical properties of Na-doped ZnO thin films [J]. J. Synth. Cryst.(人工晶体学报), 2010, 39(6):1494-1498 (in Chinese).

Lee E C, Chang K J. P-type doping with group-I elements and hydrogenation effect in ZnO [J]. Physica B, 2006, 376-377:707-710.

Chen L L, He H P, Ye Z Z, et al. Influence of post-annealing temperature on properties of ZnO:Li thin films [J]. Chem. Phys. Lett., 2006, 420(4-6):358-361.

Wang X H, Yao B, Shen D Z, et al. Electrical and optical characteristics of Li-doped ZnO [J]. Chin. J. Lumin.(发光学报), 2006, 27(6):945-948 (in Chinese).

Wang G P, Yang J C, Xu F X. Study on the XRD microstructure and the magnetic properties of Li-doped ZnO [J]. Sci. Tech. Engrg.(科学技术与工程), 2012, 12(11):2561-2566 (in Chinese).

Liu Y L, Ruan Y F, Zhai Y, et al. Effect of Li doping on the structure and optical properties of ZnO thin films [J]. J. Synth. Cryst.(人工晶体学报), 2013, 42(1):1-6 (in Chinese).

Kisi E H, Elcombe M M. U parameters for the wurtzite structure ofandusing powder neutron diffraction [J]. Acta Cryst., 1989, 45(12):1867-1870.

Gao L L, Xu Y, Zhang M, et al. Effects of Mg contents on photoelectric properties and N doped behaviors in N doped MgZnO films [J]. Opt. Precision Eng.(光学精密工程), 2014, 22(5):1198-1203 (in Chinese).

Zhai Y J, Li J H, Chen X Y, et al. Synthesis and characterization of Cd-doped ZnO nanoflowers and its photocatalytic activity [J]. Chin. Opt.(中国光学), 2014, 7(1):124-130 (in Chinese).

Li Q. First Principles Study of The Electronic Structure and Optical Properties of Doped ZnO [D]. Baoding: Hebei University, 2010 (in Chinese).

Caglar M, Caglar Y, Aksoy S, et al. Temperature dependence of the optical band gap and electrical conductivity of sol-gel derived undoped and Li-doped ZnO films [J]. Appl. Surf. Sci., 2010, 256:4966-4971.

Hu Y J, Wu Y P, Liu G Y, et al. Band gap widening of Mg-doped ZnO thin films [J]. J. Hubei Univ. Auto. Tech.(湖北汽车工业学院学报), 2013, 27(1):56-59 (in Chinese).

Views

241

下载量

CSCD

Alert me when the article has been cited

提交

Tools

Publicity Resources

First-principle Study of Electronic and Optical Properties of Inorganic Perovskite Cs₂SnI₆ for Solar Cells

First-principles Investigation on Electronic Structure and Optical Properties of CdSe_xS_1-x

Effects of Point Defects on Electronic Structure and Optical Properties of Al_0.5Ga_0.5N Nanosheets: First-principles Investigation

First-principles GGA+U Investigation on The Electronic Structure and Optical Properties of Zn_1-xMg_xO

Magnetic and Optical Properties of Co-doped Zinc Blende ZnO

Related Author

Hui-dong LU

Jin-long WANG

Sheng-nian TIE

Jie LIU

HE Xu

WU Li-li

LI Chun-xiu

HAO Xia

Related Institution

New Energy Industry Research Center, Qinghai University

Department of Basic Teaching Research, Qinghai University

Chengdu Textile College

College of Materials Science and Engineering, Sichuan University

Yichun University

AI问答

Address：No.3888 Dong Nanhu Road, Changchun, Jilin, China Postal code：130033
Tel：0431-86176862 Email：fgxbt@126.com
Technical support is provided by Beijing Founder electronics co., LTD 吉ICP备11002662号-17 京公网安备11010802024621
It is recommended to read the content of this site in Chrome&IE9+. Please switch to extreme mode in browser 360.
Cookies We use cookies to help provide and enhance our service and tailor content. By continuing, you agree to the use of cookies.

⁰