Investigation on Reaction Pathways for ZnO Formation from Diethylzinc and Water during Chemical Vapor Deposition

Bulletin of the Korean chemical society

Yong Sun Won¹  Young Seok Kim¹ 

关键词: ZnO;    Diethylzinc;    Water;    Reaction pathway;    CVD;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

A computational study of the reactions between Zn-containing species, the products of the thermal decomposition of diethylzinc (DEZn) and water was investigated. The Zn-containing species ? Zn(C2H5)2, HZnC2H5, and (ZnC2H5)2 ? were assumed to react with water during ZnO metal organic chemical vapor deposition (MOCVD). Density functional theory (DFT) calculations at the level of B3LYP/6-311G(d) were employed for the geometry optimization and thermodynamic property evaluation. As a result dihydroxozinc, Zn(OH)2, was the most probable reaction product common for all three Zn-containing species. A further clustering of Zn(OH)2 was investigated to understand the initial stage of ZnO film deposition. In experiments, the reactions of DEZn and water were examined by in-situ Raman scattering in a specially designed MOCVD reactor. Although direct evidence of Zn(OH)2 was not observed, some relevant reaction intermediates were successfully detected to support the validity of the gas phase reaction pathways proposed in the computational study.

【 授权许可】

Unknown