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

• vacuum_.zip: Ab-initio molecular dynamics trajectory of the clean TiO2-vacuum interface
• vacuum_H2O.zip: Ab-initio molecular dynamics trajectory of the TiO2-vacuum interface with H2O adsorbed
• vacuum_H2O2.zip: Ab-initio molecular dynamics trajectory of the TiO2-vacuum interface with H2O2 adsorbed
• solvent_O2.zip: Ab-initio molecular dynamics trajectory of the TiO2-water interface with O2 adsorbed
• solvent_H2O2.zip: Ab-initio molecular dynamics trajectory of the TiO2-water interface with H2O2 adsorbed
• vacuum_O2.zip: Ab-initio molecular dynamics trajectory of the TiO2-vacuum interface with O2 adsorbed
• solvent_O.zip: Ab-initio molecular dynamics trajectory of the TiO2-water interface with O adsorbed
• CHE_structures.zip: Relaxed structures of the vacuum interface with all relevant adsorbates used in the computational hydrogen electrode calculations
• solvent_OOH.zip: Ab-initio molecular dynamics trajectory of the TiO2-water interface with OOH adsorbed
• H2O_OH_0.5.inp: CP2K 4.1 input file for a mixed-Hamiltonian dynamics
• vacuum_O.zip: Ab-initio molecular dynamics trajectory of the TiO2-vacuum interface with O adsorbed
• input.inc: part of the CP2K 4.1 input file, to be included in the file H2O_OH_0.5.inp
• solvent_H2O.zip: Ab-initio molecular dynamics trajectory of the TiO2-water interface with H2O adsorbed
• solvent_OH.zip: Ab-initio molecular dynamics trajectory of the TiO2-water interface with OH adsorbed
• vacuum_OOH.zip: Ab-initio molecular dynamics trajectory of the TiO2-vacuum interface with OOH adsorbed
• vacuum_OH.zip: Ab-initio molecular dynamics trajectory of the TiO2-vacuum interface with OH adsorbed