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

• IP.zip: The relaxed structures of semiconductor surfaces adopted to calculate the ionization potential (IP) reported in Chem. Mater. 2018, 30, 94−111.
• README.txt: Description of the file contents.
• GaAs_H2O_trajectory_molecular.zip: The MD trajectory for the GaAs-H2O interface with the molecular adsorption mode of water.
• GaP_H2O_trajectory_dissociative.zip: The MD trajectory for the GaP-H2O interface with the dissociative adsorption mode of water.
• anatase_TiO2_H2O_trajectory_dissociative.zip: The MD trajectory for the anatase TiO2-H2O interface with the dissociative adsorption mode of water.
• anatase_TiO2_H2O_trajectory_molecular.zip: The MD trajectory for the anatase TiO2-H2O interface with the molecular adsorption mode of water.
• GaN_H2O_trajectory_dissociative.zip: The MD trajectory for the GaN-H2O interface with the dissociative adsorption mode of water.
• GaP_H2O_trajectory_molecular.zip: The MD trajectory for the GaP-H2O interface with the molecular adsorption mode of water.
• GaAs_H2O_trajectory_dissociative.zip: The MD trajectory for the GaAs-H2O interface with the dissociative adsorption mode of water.
• ZnO_H2O_trajectory_mixed.zip: The MD trajectory for the ZnO-H2O interface showing a coexistence of molecular and dissociative adsorption modes of water.
• SnO2_H2O_trajectory_mixed.zip: The MD trajectory for the SnO2-H2O interface showing a coexistence of molecular and dissociative adsorption modes of water.
• rutile_TiO2_H2O_trajectory_molecular.zip: The MD trajectory for the rutile TiO2-H2O interface with the molecular adsorption mode of water
• CdS_H2O_trajectory_molecular.zip: The MD trajectory for the CdS-H2O interface with the molecular adsorption mode of water.