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,...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.展开更多
基金Supported by the National Natural Science Foundation of China under Grant Nos 61264008 and 61274121the Natural Science Foundation of Jiangsu Province under Grant No BK2012829
文摘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.
