DOI: 10.20350/digitalcsic/17050
title: 2D MoS2/Cu2O on 3D mesoporous silica as visible-NIR nanophotocatalysts for environmental and biomedical applications

description: [Description of methods used for collection/generation of data] - Experimental UV-VIS spectroscopy (Figure_3a.opju). Data acquired with a Cary 4000 spectrophotometer without data processing. - Experimental Photoluminescence spectroscopy (Figure_3b.opju): Data acquired with a Horiba T64000 spectrometer without data processing - Experimental Raman spectroscopy (Figure_3c.opju): Data acquired with a Horiba T64000 spectrometer without data processing - Experimental Diffraction spectroscopy (Figure_3d.opju): Data were acquired using a Malvern PANanlytical X´pert Pro MDP, without data processing. - Experimental determination of the band-gap (Figure_S3a.opju and Figure_S3b.opju): Data were acquired using UV-VIS diffuse reflectance spectroscopy (Cary 4000 spectrophotometer) in combination with Kubelka-Munk Analysis. - Experimental XPS data (Figure_4.opju and Figure S2.opju): XPS data: Data acquired with a SPECS PHOIBOS150 hemispherical analyser with a monochromatic X-ray source (1486.6 eV) operated at 300W. The overall experimental resolution, including the contribution from the hemispherical analyser (energy and angle) and the monochromatic X-ray source, is better than 0.6 eV for a pass energy of 20 eV. The reported binding energies have been determined with an error of ±0.1 eV and are referred to the Fermi level of the analyser, which is periodically determined by measuring the photoelectron energies from an atomically clean reference Au(111) sample. No correction to the measured binding energies has been applied to the spectra. - Experimental Data for photodegradation of Tetracycline (Figure_5a.opju, Figure_5b.opju, Figure_5c.opju Figure_5d.opju). The photocatalyst, either MoS2 or MoS2-Cu2O, (4 cm²), was immersed in a solution containing 5 ppm tetracycline (TC) (pH=6 and pH=8). The system was kept in the dark for 30 min to reach adsorption equilibrium. Afterward, the nanoreactors were irradiated with visible light using a warm LED (λ &gt; 420 nm, max. 600 nm, 52 × 10⁻³ W·cm⁻²). The photoreaction progress was monitored via absorbance measurements using a Cary 4000 spectrophotometer and the Lambert-Beer law (supported files: Figure_data_support_photodegradation_TC-MoS₂_Cu₂O_pH6.opju, Figure_data_support_photodegradation_TC-MoS₂_pH8.opju, Figure_data_support_photodegradation_TC-MoS₂_pH6.opju). By observing the decay of TC absorbance over time from its initial value in presence of light, the variation in TC concentration was determined using the Lambert-Beer law, enabling the generation of the plots in Figs. 5a and 5c, as well as part of Fig. 5b. The rate constant of the photodegradation process was obtained by performing a linear fit of the plot Ln(C/C₀) vs. time using the Origin program for data processing. Additionally, the total organic content (TOC) analysis (Figure_5b.opju) was conducted using a TOC-VCSH instrument. - The experimental data corresponding to reactive oxygen species identification and photocatalyst recyclability of MoS2-Cu2O (Figure_6a.opju and Figure_6b.opju), were extracted by observing the changes of TC absorbance over time from its initial value with the spectrophotometer Cary 4000. In the case of Figure_6a, the experiments were performed in presence and in absence of ROS quenchers and in Figure_6b.opju, the same photocatalysts was re-used 10 times and evaluated its performance through the absorbance decay of TC in presence of light. - Experimental Data for photodegradation of Anatoxin (Figure_7a.opju, Figure_7b.opju, Figure_7c.opju). The MoS₂/Cu₂O photocatalyst (4 cm²) was immersed in a solution containing 20 ppm of Anatoxin-A. The system was kept in the dark for 30 min to reach adsorption equilibrium. Afterward, the nanoreactors were irradiated with visible light using a warm LED (λ &gt; 420 nm, max. 600 nm, 52 × 10⁻³ W·cm⁻²). The anatoxin photodegradation was analyzed via high-performance liquid chromatography (HPLC) using a Waters Alliance 2795 instrument equipped with a PDA detector (Waters 2996) and a mass detector (Waters ZQ 2000). The changes of Absorbance of Anatoxin through HPLC measurements were collected in Figure_7a.opju. The degradation and kinetics evaluation was similar to the case of TC. The kinetics of the photodegradation process was obtained by performing a linear fit of the plot Ln(C/C₀) vs. time using the Origin program for data processing. Additionally, the total organic content (TOC) analysis (Figure_7b.opju) was conducted using a TOC-VCSH instrument.
description: [Methods for processing the data] - XPS experimental data: CasaXPS software version 2.3.16 PR 1.6 - Experimental determination of the band-gap: data were processed for extracting the Kubelka-Munk function using Origin program tools. - Experimental Data for photodegradation of Tetracycline: the kinetics of the photodegradation reaction was evaluated by linear fits to the curves Ln(C/C0) vs time, using Origin software tools. - Experimental Data for photodegradation of Anatoxin-A: the HPLC measurements were smoothed with Origin program tools and the kinetics of the photodegradation reaction was evaluated by performing linear fits to the Ln(C/C0) vs time curves, also using Origin software tools.
description: File List: Figure_3a.opju, Figure_3b.opju, Fig_4_right.opju; Fig_4_right.opju; Fig_4_inset_a_VBM.opju , Fig_4_inset_c_VBM.opju, Figure_5a.opju, Figure_5b.opju; Figure_5c.opju; Figure_5d.opju; Figure_6a.opju, Figure_6b.opju; Figure_7a.opju; Figure_7b.opju; Figure_7c.opju; Figure_S2.opju, Figure_S3a.opju; Figure_S3b.opju, Figure_data_support_photodegradtion_TC-MoS2_Cu2O_pH8.opju, Figure_data_support_photodegradtion_TC-MoS2_Cu2O_pH6.opju, Figure_data_support_photodegradtion_TC-MoS2_pH8.opju, Figure_data_support_photodegradtion_TC-MoS2_pH6.opju.