Optical properties of Cu-doped ZnO nanoparticles experimental and first-principles theory research

被引：29

作者：

Zheng, J. H. ^{[1
]}

Song, J. L. ^{[1
]}

Jiang, Q. ^{[1
]}

Lian, J. S. ^{[1
]}

机构：

[1] Jilin Univ, Coll Mat Sci & Engn, Minist Educ, Key Lab Automobile Mat, Changchun 130025, Peoples R China

来源：

JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS | 2012年 / 23卷 / 08期

关键词：

ZINC-OXIDE; TRANSFORMATION; DEGRADATION; GAS; DYE;

D O I：

10.1007/s10854-012-0622-z

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

Zn1-x Cu (x) O nanoparticles were synthesized by using sol-gel method. Structure and optical properties of Zn1-x Cu (x) O nanoparticles were studied experimentally and theoretically. The simulations are based upon the Perdew-Burke-Ernzerhof form of generalized gradient approximation within the density functional theory. The results showed that the UV emission is effectively quenched and the emission in visible-light region is enhanced by Cu-doping, which are theoretically explained to be attributed to the electronic intra-band transition from the occupied bands to the unoccupied ones under irradiation. Therefore, Zn1-x Cu (x) O system may be a potential candidate for photocatalytic in visible light range.

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页码：1521 / 1526

页数：6

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