Data from: Polyoxometalated metal-organic framework superstructure for stable water oxidation
Abstract
Stable non-precious catalysts are vital for large-scale alkaline water electrolysis. Here, we report a grafted superstructure, MOF@POM, formed by self-assembling a metal-organic framework (MOF) with polyoxometalate (POM). In situ electrochemical transformation converts MOF into active metal (oxy)hydroxides with a low overpotential of 178 millivolts at 10 milliamperes per square centimeter. An anion exchange membrane water electrolyzer incorporating this catalyst achieves 3 amperes per square centimeter at 1.78 volts at 80 degrees Celsius and stable operation at 2 amperes per square centimeter for 5,140 hours at room temperature. In-situ electrochemical spectroscopy and theoretical studies revealed that the synergistic interactions between metal atoms create a fast electron-transfer channel from catalytic iron and cobalt sites, nickel, and tungsten in the polyoxometalate to the electrode, stabilizing the metal sites and preventing dissolution.
Dataset DOI: 10.5061/dryad.hqbzkh1t9
Description of the data and file structure
Dataset 1 is the data from Figure 1E: Full-range synchrotron PDF analysis for MOF@POM, with the corresponding Rietveld refinement and the calculated partial PDF patterns of the Ni-Fe distance.This dataset contains the full-range synchrotron PDF analysis of MOF@POM, along with the corresponding Rietveld refinement results and partial PDF patterns from which the Ni–Fe distance was derived. The first three columns (x1, y1, y2) represent the experimental measurements and the fitting results. The fourth and fifth columns (x2, y3) provide the p-PDF data for Ni–Fe. The final two columns (x3, y4) show the residuals between y1 and y2. Both the x- and y-axes are given in units of atomic distance.
Dataset 2 is the data from Figure 2A: CV curves of MOF, MOF@POM, and the reference samples.In this dataset, each pair of columns represents the voltage–current relationship for one sample. From left to right, the samples are MOF, MOF@POM, NiFe-LDHs, CoFe-LDHs, and NF. The x-axis is measured in volts (V), and the y-axis is in mA·cm−2.
Dataset 3 is the data from Figure 2B: Polarization curves of the AEMWE cell using MOF@POM as the anode.Here, each pair of columns represents the current–voltage relationship for one sample. From left to right, the samples are MOF@POM-25°C, MOF@POM-60°C, MOF@POM-80°C, NF-25°C, NF-60°C, and NF-80°C. The x-axis is given in mA·cm−2, while the y-axis is in volts (V).
Dataset 4 is the data from Figure 3A: XRD comparison of MOF@POM in different states during the water oxidation.Each pair of columns in this dataset corresponds to a set of XRD data. From left to right, these represent PDF#14-3266, Final state, Transition state, and Pristine state. The x-axis is measured in degrees, and the y-axis in arbitrary units (a.u.).
Dataset 5 is the data from Figure 3C: p-PDF fitting of Ni-Ni in MOF@POM-act..In this dataset, the first column is x and the second column is y. Both axes are reported in units of atomic distance.
Dataset 6 is the data from Figure 3D: XANES spectra of Co, Fe Ni at different potentials of MOF@POM. Each pair of columns here represents a set of XAS data. From left to right, the sequences are Co-ocp, Co-1.23, Co-1.43, Co-postOER, Fe-ocp, Fe -1.23, Fe -1.43, Fe -postOER, Ni-ocp, Ni -1.23, Ni -1.43, Ni -1.63, and Ni -postOER. The x-axis is measured in eV, and the y-axis in arbitrary units (a.u.).
Dataset 7 is the data from Figure 4C: The stability (10% sites/dissolution rate) is a function of the working potential and dissolution barrier.In this dataset, the first 200 columns and the following 200 columns correspond to CoFeOOH and POM/CoFeOOH, respectively. By converting these data into a matrix, one can obtain the heatmap data for CoFeOOH and POM/CoFeOOH. The x-axis is measured in volts (V), and the y-axis in hours(h).
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