Comparative Theoretical Study on the Vibrational Spectra of V₂O₅·nH 2 O

Key Points

• To investigate the structural and vibrational properties of hydrated vanadium pentoxide using theoretical methods.
• Employ first-principles density functional theory calculations
• Conduct comparative analysis of the vibrational properties
• Identify characteristic Raman peaks from interlayer water molecules
• Successfully identified vibrational spectra using density functional theory
• Revealed characteristic Raman peaks associated with interlayer water molecules