Direct Observation of the Chemical Transformations in BiVO4 Photoanodes upon Prolonged Light-Aging Treatments

# Dataset of “ Direct Observation of the Chemical Transformations in BiVO4 Photoanodes upon Prolonged Light-Aging Treatments”

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## GENERAL INFORMATION----------------------

1. Dataset title: “Direct Observation of the Chemical Transformations in BiVO4 Photoanodes upon Prolonged Light-Aging Treatments”

2. Authorship:      Name: Ramón Arcas                                 Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain    ORCID: 0000-0001-5813-2768

    Name: Drialys Cardenas-Morcoso                                 Institution:Material Research and Technology (MRT) Department Luxembourg Institute of Science and Technology (LIST) 4422 Belvaux, Luxembourg    ORCID: 0000-0001-9916-4811    

    Name: Maria Chiara Spadaro        Institution:  Catalan Institute of Nanoscience and Nanotechnology (ICN2) and BIST Campus UAB, Bellaterra 08193 Barcelona, Spain;    ORCID: 0000-0002-6540-0377

    Name: Miguel Garcia-Tecedor    Institution: Photoactivated Processes Unit, IMDEA Energy Institute, Parque Tecnológico de Móstoles, 28935 Móstoles, Madrid, Spain;    ORCID: 0000-0002-9664-4665

    Name: Camilo A. Mesa    Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain;    ORCID: 0000-0002-8450-2563

    Name: Jordi Albiol    Institution: Advanced Electron Nanoscopy (GAeN) ICREA 08010 Barcelona, Catalonia, Spain    ORCID: 0000-0002-0695-1726

    Name: Francisco Fabregat Santiago        Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain    ORCID: 0000-0002-7503-1245

    Name: Sixto Giménez    Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain    Email:      ORCID: 0000-0002-4522-3174

    Name: Elena Más-Marzá    Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain    Email:     ORCID: 0000-0002-2308-0635    

   ## FILE DESCRIPTION—————————### Figure 1-Fig1.txt : Cyclic voltammograms of Reference (black), 1LA–BiVO4 (red) and 3LA–BiVO4 (green) photoanodes measured at 20 mV s 1 in 0.1 M benzyl alcohol in acetonitrile solution with 0.1 M tetrabutylammonium perchlorate (TBAClO4) in the dark (solid lines) and under illumination (100 mW cm 2) [dashed lines].

### Figure 2-Fig2d.txt : Raman spectra of Zone A. _fig2e.txt : Raman spectra of Zone B.

### Figure 4-Fig4a.txt : Nyquist plot of Reference sample and selected equivalent circuit to fit the experimental data of the Reference and LA samples.-Fig4b.txt : Surface capacitance (Cs), charge transfer resistance (Rct), and photocurrent (J) of Reference BiVO4.-Fig4c.txt : Density of surface states as a function of applied potential. Reference (Black), 1LA–BiVO4 (Red) and 3LA–BiVO4 (Green).

### Figure 5-Fig5a.txt : Infrared (IR)-chopped chronoamperometry measurements of Reference (Black) and 3LA-BiVO4 (green).

### Figure S1-FigS1.txt : Cyclic voltammetry peak of Ferrocene/Ferrocenium (Fc/Fc+). 1.9 mM of ferrocene was used to calibrate the applied voltage to the normal hydrogen electrode (NHE). Conditions: 100 mM of benzyl alcohol, in 0.1 M TBAClO4 in CH3CN, using BiVO4 as WE, Pt film as CE, and Ag/AgNO3 as RE.

### Figure S2-FigS2.txt : CV of Reference (black) and 1LA-BiVO4 (red) measured at scan rates of 20 mV·s-1 in a 0.1M KPi buffered aqueous solution (pH 7.8) in the dark (solid lines) and under 100 mW·cm-2 illumination (dashed lines).

### Figure S4-FigS4.txt : XRD spectra for Reference (black), 1LA-BiVO4 (red) and 3LA-BiVO4 (green) photoanodes.

### Figure S7-FigS7a.txt : Impedance spectroscopy parameters extracted from fitting the experimental data with the selected equivalent circuit showed in Figure 3. Surface capacitance, Cs. Reference (Black), 1LA-BiVO4 (Red), 3LA-BiVO4 (Green), Reference with electrodeposited BiOx on top(purple). Measurements were performed under illumination at 0.1 M benzyl alcohol oxidation conditions.-FigS7b.txt : Impedance spectroscopy parameters extracted from fitting the experimental data with the selected equivalent circuit showed in Figure 3. Charge Transfer Resistance, Rct. Reference (Black), 1LA-BiVO4 (Red), 3LA-BiVO4 (Green), Reference with electrodeposited BiOx on top(purple). Measurements were performed under illumination at 0.1 M benzyl alcohol oxidation conditions.-FigS7c.txt : Impedance spectroscopy parameters extracted from fitting the experimental data with the selected equivalent circuit showed in Figure 3. Bulk Capacitance, Cbulk. Reference (Black), 1LA-BiVO4 (Red), 3LA-BiVO4 (Green), Reference with electrodeposited BiOx on top(purple). Measurements were performed under illumination at 0.1 M benzyl alcohol oxidation conditions.-FigS7d.txt : Impedance spectroscopy parameters extracted from fitting the experimental data with the selected equivalent circuit showed in Figure 3. Bulk Resistance, Rbulk. Reference (Black), 1LA-BiVO4 (Red), 3LA-BiVO4 (Green), Reference with electrodeposited BiOx on top(purple). Measurements were performed under illumination at 0.1 M benzyl alcohol oxidation conditions.

### Figure S8-FigS8a.txt : Comparison of Cs, Rct and the J-V as a function of the applied potential for Reference (Black).Measurements were performed under illumination at 0.1 M benzyl alcohol oxidation conditions.-FigS8b.txt : Comparison of Cs, Rct and the J-V as a function of the applied potential for 1LA-BiVO4 (red). Measurements were performed under illumination at 0.1 M benzyl alcohol oxidation conditions.-FigS8b.txt : Comparison of Cs, Rct and the J-V as a function of the applied potential for 3LA-BiVO4 (green). Measurements were performed under illumination at 0.1 M benzyl alcohol oxidation conditions.

### Figure S9-FigS9a.txt : Density of surface states as a function of applied potential. 1LA-BiVO4 (Red) and LT-1LA-BiVO4 (Maroon).-FigS9b.txt : Steady-state photocurrent as a function of applied potential. 1LA-BiVO4 (Red) and LT-1LA-BiVO4 (Maroon).