Electronic Properties of Binary and Mixed [RMNH]n (R= H, CH3, M=Al, Ga, In) Oligomers

被引：0

作者：

Oranskaya, A. A. ^{[1
]}

Pomogaeva, A. V. ^{[1
]}

Timoshkin, A. Y. ^{[1
]}

机构：

[1] St Petersburg State Univ, Inorgan Chem Grp, Inst Chem, Old Peterhof 198504, Russia

来源：

4TH INTERNATIONAL CONGRESS IN ADVANCES IN APPLIED PHYSICS AND MATERIALS SCIENCE (APMAS 2014) | 2015年 / 1653卷

关键词：

Electronic structure; oligomers; DFT;

D O I：

10.1063/1.4914274

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Theoretical investigation of structural and electronic properties is presented for the rod-like oligomers R-3-[MRNH](3n)-H-3 and [RMNH](n+1) (M=Ga, Al, In R=H, CH3) of different lengths. Electronic structures of the oligomers with and without substitutions of Ga atoms with Al or In were studied at DFT level of theory. Clusters up to 8 nm of length were considered. A type of terminal groups of the oligomers is found to have a dominant influence on their electronic properties.

引用

页数：4

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