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"
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This dataset is related to "Light and Mass Transport Computations Guide the Fabrication of 3D-Structured TiO<sub>2</sub> and Au/TiO<sub>2</sub> Aerogel Photocatalysts for Efficient Hydrogen Production in the Gas Phase" published in <em> Chemistry of Materials</em> <strong>2023</strong> <em>35</em> (10), 3849-3858. Each file contains the dataset for the respective Figure. <strong>File 'Figure 1': </strong>Optical Photograph and SEM images of a 3D printed TiO<sub>2</sub> aerogel. <strong>File 'Figure 2': </strong>The subdirectory <em>'absorbed'</em> 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 <em>'readme</em>' file. The subdirectory <em>'flux_time_resolved'</em> 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. <strong>File 'Figure 3': </strong>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. <strong>File 'Figure 4': </strong>Data of the hydrogen evolution experiments. <strong>File 'Figure SI1 and Table SI1': </strong>Data of nitrogen physisorption experiments. <em>'Figure_SI1-sample-identification'</em> contains a list to assign the dataset to the respective subfigures in Figure SI1. <em>'Table_SI1-sample-identification' </em>contains a list to assign the dataset to the respective entry in Table SI1. <strong>File 'Figure SI2': </strong>Data of the hydrogen evolution experiments with a gas stream containing pure water and a water/methanol mixture, respectively. <strong>File 'Figure SI3': </strong>Data of the UV cleaning experiment. <strong>File 'Figure SI4': </strong>Chromatograms recorded during hydrogen evolution experiments to discuss the formation of side products. <strong>File 'Figure SI5':</strong> Data of two consecutive hydrogen evolution experiments. <strong>File 'Figure SI6': </strong>Data of the hydrogen evolution experiments for an fcc-structured and sc-structured TiO<sub>2</sub> aerogel of similar light absorption. Image of a simulated velocity profiles for an unstructured aerogel. The simulation were performed in COMSOL. <strong>File 'Figure SI7': </strong>Data of an hydrogen evolution experiments of an fcc-structured TiO<sub>2</sub> aerogel for flow rates in a range of 1.25 to 20 mL min<sup>-1</sup>. <strong>File 'Figure SI8': </strong>TEM/STEM images including EDX mapping of an Au/TiO<sub>2</sub> aerogel fragment. <strong>File 'Figure SI9': </strong>Data of the hydrogen evolution, the irradiance of the LED, and the amount of water and methanol. <strong>File 'Figure SI10': </strong>Attenuated total reflection infrared spectra of TiO<sub>2</sub> nanoparticle powder and aerogel after UV cleaning. <strong>File 'Figure SI11': </strong>XRD pattern of TiO<sub>2</sub> nanoparticles and a reference of anatase TiO<sub>2</sub>. <strong>File 'Figure SI12': </strong>Data of hydrogen evoltion for TiO<sub>2</sub> nanoparticle powders. <strong>File 'Figure SI13': </strong>Transmission and reflectance spectra of a TiO<sub>2</sub> aerogel. <strong>File 'Figure SI14': </strong>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 <em>'readme'</em> file. The code of the DISORT algorithm is provided in the <em>'DISORT'</em> subdirectory. <strong>File 'Figure SI16': </strong>Data of the derived absorption and scattering coefficient. <strong>File 'Figure SI17': </strong>Data of the light absorption and the scattering coefficient. The <em>'readme'</em> file contains a description of the data processing for the light absorption dataset.
