This README.txt file was generated on 2024 July by José García Antón (Principal Investigator) ------------------- GENERAL INFORMATION ------------------- Title of Dataset: Characterization of Nanostructures containing WO3, MoO3, TiO2 and ZnO for Photoelectrocatalytic Degradation of the Pesticide Imazalil [Dataset] Author Information: Principal Investigator: José García Antón, Universitat Politècnica de València, Camino de Vera s/n, jgarciaa@iqn.upv.es, https://orcid.org/0000-0002-0289-1324 Associate or Co-investigator: Mireia Cifre Herrando, Universitat Politècnica de València, Camino de Vera s/n, mcifher@upvnet.upv.es, https://orcid.org/0000-0002-8800-3585 Associate or Co-investigator: Gemma Roselló Márquez, Universitat Politècnica de València, Camino de Vera s/n, gemromar@etsii.upv.es, https://orcid.org/0000-0002-3116-1312 Associate or Co-investigator: Pedro José Navarro-Gázquez, Universitat Politècnica de València, Camino de Vera s/n, pednagz@etsii.upv.es Associate or Co-investigator: María José Muñoz-Portero, Universitat Politècnica de València, Camino de Vera s/n, mjmunoz@iqn.upv.es, https://orcid.org/0000-0002-7407-2598 Associate or Co-investigator: Encarnación Blasco Tamarit, Universitat Politècnica de València, Camino de Vera s/n, meblasco@iqn.upv.es, https://orcid.org/0000-0001-7314-082X Date of data collection: 2023 Geographic location of data collection: Valencia, Spain (39.482369, -0.343578). Information about funding sources or sponsorship that supported the collection of the data: This research was funded by AEI (PID2019-105844RB-I00/AEI/10.13039/501100011033) and the project co-funded by FEDER operational program 2014–2020 of Comunitat Valenciana (IDIFEDER/18/044). General description: The dataset contains the data that have been used to synthesize and characterize different types of nanostructures (WO3, WO3-Mo, TiO2, and TiO2-ZnO) for a comparison of hybrid and pure nanostructures to use them as a photoanodes for photoelectrocatalytic degradation of emerging contaminants. Keywords: nanostructures; hybrid nanostructures; WO3; TiO2; water splitting; emerging contaminants. -------------------------- SHARING/ACCESS INFORMATION -------------------------- Open Access to data: Open Date end Embargo: Licenses/restrictions placed on the data, or limitations of reuse: All rights reserved Citation for and links to publications that cite or use the data: https://doi.org/10.3390/nano13182584 Links/relationships to previous or related data sets: Links to other publicly accessible locations of the data: -------------------- DATA & FILE OVERVIEW -------------------- File list: 01.-Raman: The crystallinity of the samples was analyzed using a Raman laser microscope. 02.-XRD: Samples were characterized by X-Ray Diffraction (XRD) to obtain more detail about the their crystalline structure. 03.-PEIS_Nyquist: Nyquist diagrams obtained from Photoelectrochemical Impedance Spectroscopy (PEIS) tests at different conditions were performed to study the photoelectrochemical properties of the nanostructures. 04.-PEIS_Bode: Bode diagrams obtained from Photoelectrochemical Impedance Spectroscopy (PEIS) tests at different conditions were performed to study the photoelectrochemical properties of the nanostructures. 05.-Mott–Schottky: Mott–Schottky (M-S) tests at different conditions were performed to study the photoelectrochemical properties of the nanostructures. 06.-Water Splitting: Water Splitting (WS) tests were performed to study the photoelectrochemical properties of the nanostructures. 07.-Degradation_Intermediates: The degradation process of the pesticide imazalil was followed by means of ultra high-performance liquid chromatography and mass spectrometry (UHPLC-MS-Q-TOF). Intermediate degradation products were identified. Relationship between files: Type of version of the dataset: Processed Data Total size: 2.14 MB -------------------------- METHODOLOGICAL INFORMATION -------------------------- Description of methods used for collection/generation of data: - Raman and XRD tests The crystallinity of the nanostructure was analyzed by a Raman confocal laser spectroscopy (Witec alpha 300R, Ulm, Germany) with a neon laser of 488 nm at 420 microW and also by X-ray diffraction (XRD) using a D8AVANCE diffractometer (Bruker, MA, USA) equipped with a monochromatic Cu Kalfa1 source. - Photoelectrochemical Properties: PEIS, Mott-Schottky, and Water Splitting tests A potentiostat (Autolab PGSTAT302N, Metrohm, Herisau, Switzerland) and a solar simulator (500 W xenon lamp) were used to study the photoelectrochemical properties of the samples. Photoelectrochemical impedance spectroscopy (PEIS) tests were performed to analyze the electrochemical and photoelectrochemical behavior of each synthesized sample. For the WO3 samples, the tests were carried out applying simulated sunlight with the simulator mentioned before and a potential of 1 VAg/AgCl in a frequency range of 100 kHz to 10 mHz with a signal amplitude of 10 mV. The electrolyte used was 0.1 M H2SO4. On the other hand, for the TiO2 nanostructures, the applied potential was 0.6 VAg/AgCl and the electrolyte was 0.1 M NaOH, the rest of the conditions being the same. Mott–Schottky measurements were also applied. For the WO3 nanostructures, from 1 to 0.2 VAg/AgCl at a frequency of 5 kHz, and for the TiO2 nanostructures from 0.8 to -0.9 VAg/AgCl at a frequency of 10 kHz, for both cases at a scan rate of 50 mV·s−1 and a frequency of 5 kHz with an amplitude signal of 10 mV. For Water Splitting tests, a potential sweep with a scan speed of 2 mV·s-1 was carried out, applying dark (30 s) and light (10 s) cycles. - Photoelectrocatalytic Degradation The PEC degradation was carried out starting from a 10 ppm solution of Imazalil under lighting conditions (AM 1.5) at a potential of 0.6 VAg/AgCl for 24 h. The electrodes used were TiO2/ZnO hybrid nanostructures as photoanodes, an Ag/AgCl (3 M KCl) reference electrode, and a platinum wire as a counter electrode. The electrolyte of the Imazalil was optimized. The electrolyte of the first degradation was 0.1 M NaOH (pH = 13), and the optimized electrolyte was 0.1 M Na2SO4 (pH = 6.2). The degradation course was monitored by ultra high performance liquid chromatography and mass spectrometry (UHPLC-MS-QTOF). The equipment used was an Agilent 1290 Infinity equipped with a C-18 analytical column (Agilent ZORBAX Eclipse Plus, Santa Clara, CA, USA) of 50 mm x 2.1 mm with a particle size of 1.8 microm. The mobile phases were water (A) and acetonitrile (B), both acidified with 0.1% (v/v) acetic acid. The experimental conditions of the equipment were the following: injection volume of 0.2 microL, flow rate of 1 mL·min-1, and column temperature of 45 ºC. Furthermore, the conditions for the mass spectrometer were: positive ionization, capillary voltage 4000 V, nebulizer pressure 40 psi, gas temperature 325 ºC, skimmer voltage 65 V, octopolar rf 250 V, and voltage fragmentor 190 V. Methods for processing the data: Processed data are registered in files with extension xlsx. Software- or Instrument-specific information needed to interpret the data, including software and hardware version numbers: Microsoft Excel 2019. Standards and calibration information, if appropriate: Environmental/experimental conditions: Describe any quality-assurance procedures performed on the data: -------------------------- DATA-SPECIFIC INFORMATION -------------------------- Number of variables: Number of cases/rows: Variable list, defining any abbreviations, units of measure, codes or symbols used: "I" represents current intensity, "i" represents current density, "Z" represents impedance, "C" represents capacitance. Missing data codes: Specialized formats or other abbreviations used: A: Amps. a.u.: Arbitrary units. VAg-AgCl: Volts respect to silver/silver chloride reference electrode. Hz: Hertz. rad: Radians. F: Farad. m/z: mass-to-charge ratio.