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 identification 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 Raman mode splitting, which can be ascribed to crystal symmetry destruction by strain engineering. Our results suggest the use of Raman scattering in structural identification in deformed g-C₃N₄ structure.