  In this work, the vibrational dynamics and spectroscopy of deuterated water
molecules (D$_{2}$O) mimicking dense water layers at room temperature on the
surfaces of two different C/N based materials with different N content and pore
size, namely graphitic C$_{3}$N$_{4}$ (g-C$_{3}$N$_{4}$) and C$_{2}$N are
studied using Ab Initio Molecular Dynamics (AIMD). In particular,
Time-Dependent vibrational Sum-Frequency Generation spectra (TD-vSFG) of the OD
modes and also time-averaged vSFG spectra and OD frequency distributions are
computed.
