Details of the methods used to generate the amorphous model are given in the following section, Amorphous model generation. All AIMD simulations were performed using VASP v5.4.1 in the NVT ensemble using a Nose-Hoover thermostat with a plane-wave energy cutoff of 520 eV using projectoraugmented wave pseudopotentials , and k-point sampling done only at the 𝛤 point. The specific pseudopotentials, parameters, and methods used to calculate the spectroscopy from first principles are described in this section.