Dataset for "Light and Mass Transport Computations Guide the Fabrication of 3D-Structured TiO2 and Au/TiO2 Aerogel Photocatalysts for Efficient Hydrogen Production in the Gas Phase"

This dataset is related to "Light and Mass Transport Computations Guide the Fabrication of 3D-Structured TiO₂ and Au/TiO₂ Aerogel Photocatalysts for Efficient Hydrogen Production in the Gas Phase" published in Chemistry of Materials 2023 35 (10), 3849-3858.

Each file contains the dataset for the respective Figure.

File 'Figure 1': Optical Photograph and SEM images of a 3D printed TiO₂ aerogel.

File 'Figure 2': The subdirectory 'absorbed' contains data for the calculation of the light absorption of unstructured, sc-structured, and fcc-structured aerogels. A more detailed description is presented in the 'readme' file. The subdirectory 'flux_time_resolved' contains data for the calculation of the time-resolved flux in a fcc-structured aerogel. A more detailed description is presented in the readme file.

File 'Figure 3': Measured and calculated data of the pressure drop of unstructured, sc-structured, and fcc-structured aerogels. Images of the velocity profile. Images of simulated velocity profiles of an sc-structured aerogel without and with a surrounding wall. The simulations were performed in COMSOL.

File 'Figure 4': Data of the hydrogen evolution experiments.

File 'Figure SI1 and Table SI1': Data of nitrogen physisorption experiments. 'Figure_SI1-sample-identification' contains a list to assign the dataset to the respective subfigures in Figure SI1. 'Table_SI1-sample-identification' contains a list to assign the dataset to the respective entry in Table SI1.

File 'Figure SI2':  Data of the hydrogen evolution experiments with a gas stream containing pure water and a water/methanol mixture, respectively.

File 'Figure SI3': Data of the UV cleaning experiment.

File 'Figure SI4': Chromatograms recorded during hydrogen evolution experiments to discuss the formation of side products.

File 'Figure SI5': Data of two consecutive hydrogen evolution experiments.

File 'Figure SI6': Data of the hydrogen evolution experiments for an fcc-structured and sc-structured TiO₂ aerogel of similar light absorption. Image of a simulated velocity profiles for an unstructured aerogel. The simulation were performed in COMSOL.

File 'Figure SI7': Data of an hydrogen evolution experiments of an fcc-structured TiO₂ aerogel for flow rates in a range of 1.25 to 20 mL min^-1.

File 'Figure SI8': TEM/STEM images including EDX mapping of an Au/TiO₂ aerogel fragment.

File 'Figure SI9': Data of the hydrogen evolution, the irradiance of the LED, and the amount of water and methanol.

File 'Figure SI10': Attenuated total reflection infrared spectra of TiO₂ nanoparticle powder and aerogel after UV cleaning.

File 'Figure SI11': XRD pattern of TiO₂ nanoparticles and a reference of anatase TiO₂.

File 'Figure SI12': Data of hydrogen evoltion for TiO₂ nanoparticle powders.

File 'Figure SI13': Transmission and reflectance spectra of a TiO₂ aerogel.

File 'Figure SI14': Calculated transmission and reflectance for an optical thickness and a scattering albedo in a range of 0 to 5 and 0 to 1, respectively. The data was calculated by solving the radiative transfer equation, as implemented in the DISORT algorithm. A more detailed description of the calculation and data processing is provided in the 'readme' file. The code of the DISORT algorithm is provided in the 'DISORT' subdirectory.

File 'Figure SI16': Data of the derived absorption and scattering coefficient.

File 'Figure SI17': Data of the light absorption and the scattering coefficient. The 'readme' file contains a description of the data processing for the light absorption dataset.