This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • O-O_xyz.zip: 10 different peroxy configurations formed upon the addition of two holes to the bulk amorphous TiO2 model constructed with the lowest cooling rate.
  • Bulk_model.zip: The atomic structures of bulk amorphous TiO2 models achieved through the melt-and-quench technique using different cooling rates: (i) 75 K/ps (Model 1), (ii) 300 K/ps (Model 2), and (iii) 600 K/ps (Model 3). The radial distribution functions calculated for these three models differ negligibly (see original paper) .
  • README.txt: Description of the file contents.