External-Strain-Induced Raman Scattering Modification in g-C3N4 Structures

Regulation of optical properties and electronic structure of graphitic carbon nitride （g-C3N4 ） via external strain has attracted much attention due to its potential in photocatalyst and electronic devices. However, the identifi- cation of g-C3N4 structure transformation induced by strain is greatly...

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Bibliographic Details
Published in中国物理快报：英文版 no. 10; pp. 84 - 88
Main Author 李廷会 李海涛 潘江洪 郭俊宏 胡芳仁
Format Journal Article
LanguageEnglish
Published 01.10.2015
Subjects
修饰
光学性能
密度泛函理论
对称性破坏
应变性能
拉曼散射
电子结构
结构变形
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Summary:Regulation of optical properties and electronic structure of graphitic carbon nitride （g-C3N4 ） via external strain has attracted much attention due to its potential in photocatalyst and electronic devices. However, the identifi- cation of g-C3N4 structure transformation induced by strain is greatly lacking. In this work, the Raman spectra of g-C3N4 with external strain are determined theoretically based on the density function theory. Deformation induced by external strain not only regulates the Raman mode positions but also leads to a I~aman mode split- ting, which can be ascribed to crystal symmetry destruction by strain engineering. Our results suggest the use of Raman scattering in structural identification in deformed 9-C3N4 structure.
Bibliography:Regulation of optical properties and electronic structure of graphitic carbon nitride （g-C3N4 ） via external strain has attracted much attention due to its potential in photocatalyst and electronic devices. However, the identifi- cation of g-C3N4 structure transformation induced by strain is greatly lacking. In this work, the Raman spectra of g-C3N4 with external strain are determined theoretically based on the density function theory. Deformation induced by external strain not only regulates the Raman mode positions but also leads to a I~aman mode split- ting, which can be ascribed to crystal symmetry destruction by strain engineering. Our results suggest the use of Raman scattering in structural identification in deformed 9-C3N4 structure.
11-1959/O4
ISSN:0256-307X
1741-3540
DOI:10.1088/0256-307X/32/10/106201