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11 results for “hydrogen evolution reaction”
Dataset of "Cobalt and nickel doped WSe2 as efficient electrocatalysts for water splitting and as cathodes in hydrogen evolution reaction PEM water electrolysis"
<p>Efficient electrocatalysts are crucial for water splitting and fuel cells. Using cheap alternatives that can improve reaction kinetics is essntial for advancing fuel cell technology. Although, tungsten diselinide (WSe2) is promising for electrocatalysis is not fully explored, especially in oxygen evolution and in applications such as polymer electrolyte membrane water electrolyzer.<br>In this work, we used a simple approach to dope WSe2 with cobalt and/or nickel atoms. The doped material was subsequently tested for hydrogen evolution reaction and oxygen evolution reaction. Accordingly, the two electrocatalysts are highly active and stable, affording low overpotentials comparable to those of noble metals. The effective introduction of heteroatoms causes the retention of coordination vacancies, furnishing active catalytic sites that enhanced electrocatalytic performance both in activity and charge transfer. Moreover, both doped materials show excellent performance and stability as cathode electrocatalysts in the polymer electrolyte membrane water electrolyzer with great promise for real-world applications.</p>
Dataset of "Hydrogen Evolution Reaction Activity in Mo₂TiC₂Tₓ MXene Derived from Mo₂TiAlC₂ MAX Phase: Insights from Compositional Transformations"
<p>MAX phases represent a crucial building block for the synthesis of MXenes, which constitute an intriguing class of materials with significant application potential. This study investigates the catalytic properties of Mo₂TiAlC₂ MAX phase and the corresponding Mo₂TiC₂Tₓ MXene for hydrogen evolution reaction (HER). Characterization by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS) revealed that despite the presence of secondary phases, the HER catalytic activity is primarily influenced by the MAX phase and its derived MXene. Interestingly, the catalytic activity of the MXene improves over time, attributed to the formation of MoO₂ as identified by XPS. This work enhances the understanding of MXene-based materials for electrochemical applications, highlighting crucial structural and chemical transformations that optimize their performance in sustainable energy technologies.3D structure of lanthanum strontium manganite and yttria-stabilized zirconia composites is predicted based on conductivity measurements using Monte Carlo 3D equivalent circuit network approach. Validation experimental impedance spectra; scanning electron micrographs; cross sections of model simulation or prediction (MSP).</p>
Imaging the footprint of nanoscale electrochemical reactions for assessing synergistic hydrogen evolution
<p>Dataset complementary to supporting information, such as optical movies, COMSOL model, and Python codes to analyze the experimental and simulated data according to the manuscript submitted for publication.<br> The movies correspond to cyclic voltammetry operando monitoring by optical microscopy of the reduction of water + KCl in the presence of NiCl2 at an ITO electrode or NiCl2 or MgCl2 at ITO electrode coated with Pt nanoparticles.</p> <p>The python function was used to extract the halo size around each nanoparticle from optical images, the python routines were used to postprocess the COMSOL simulation and evalaute the simulated halo size.</p>
Raw Data - High resolution electrochemical additive manufacturing of microstructured active materials: case study of MoSx as a catalyst for the hydrogen evolution reaction
<p>The dataset contains raw data that complements the article:</p> <p>High resolution electrochemical additive manufacturing of microstructured active materials: Case study of MoSx as a catalyst for the hydrogen evolution reaction, J. Mater. Chem. A, 2021, 9, 22072-22081.</p> <p>C. Iffelsberger and M. Pumera*</p> <p>https://doi.org/10.1039/D1TA05581J</p> <p>Related to the MSCA Project: 888797 LoCatSpot</p>
Participation of electrochemically inserted protons in the hydrogen evolution reaction on tungsten oxides
<p>Understanding the mechanisms by which electrodes undergo the hydrogen evolution reaction (HER) is<br>necessary to design better materials for aqueous energy storage and conversion. Here, we investigate<br>the HER mechanism on tungsten oxide electrodes, which are stable in acidic electrolytes and can<br>undergo proton-insertion coupled electron transfer concomitant with the HER. Electrochemical<br>characterization showed that anhydrous and hydrated tungsten oxides undergo changes in HER activity<br>coincident with changes in proton composition, with activity in the order HxWO3*H2O>HxWO3 ><br>HxWO3*2H2O. We used operando X-ray diffraction and density functional theory to understand the<br>structural and electronic changes in the materials at high states of proton insertion, when the oxides are<br>most active towards the HER. H0.69WO3*H2O and H0.65WO3 have similar proton composition, structural<br>symmetry, and electronic properties at the onset of the HER, yet exhibit different activity. We<br>hypothesize that the electrochemically inserted protons can diffuse in hydrogen bronzes and participate<br>in the HER. This would render the oxide volume, and not just the surface, as a proton and electron<br>reservoir at high overpotentials. HER activity is highest in HxWO3*H2O, which optimizes both the degree<br>of proton insertion and solid-state proton transport kinetics. Our results highlight the interplay between<br>the HER and proton insertion-coupled electron transfer on transition metal oxides, many of which are<br>non-blocking electrodes towards protons.</p>
Dataset from Nature Materials paper: Amorphous nickel hydroxide shell tailors local chemical environment on platinum surface for alkaline hydrogen evolution reaction
<p>Dataset of the paper "Amorphous nickel hydroxide shell tailors local chemical environment on platinum surface for alkaline hydrogen evolution reaction" accepted in Nature Materials.</p> <p>- GCGA_inputs.zip: A zip file containing all needed input files to run a grand canonical genetic algorithm (GCGA) global optimization structure search. Note that the script would need modifications to be compatible with later version of the GOCIA package, please following the most updated instructions at https://github.com/zishengz/gocia</p> <p>- GCGA_Ni12OxHy_all_samples.db: An ASE database file containing all unique structures from the GCGA search of Ni12OxHy on a Pt(111) surface. </p> <p>- GM_Ni12O25H13.vasp: The structure of the global minimum structure from GCGA search, which is also the surface structure we focused on in this study, in VASP structure format.</p> <p>- rxn_structures.zip: A zip file containing the structures of reaction intermediates investigated in this work, in VASP structure format</p> <p> </p>
Data file for the paper "General Models for the Electrochemical Hydrogen Oxidation and Hydrogen Evolution Reactions – Theoretical Derivation and Experimental Results Under Near Mass-Transport Free Conditions", J. Phys Chem. C., 2016, DOI:10.1021/acs.jpcc.6b00011
<p>The data in this folder is supplementary information for the paper:<br /> Anthony Kucernak and Christopher Zalitis, "General Models for the Electrochemical Hydrogen Oxidation and Hydrogen Evolution Reactions – Theoretical Derivation and Experimental Results Under Near Mass-Transport Free Conditions", J. Phys Chem. C., 2016, DOI:10.1021/acs.jpcc.6b00011</p> <p>The information is © Anthony Kucernak</p> <p>A description of the models used in these files is provided in that paper. Below is a description of the files</p> <p>Experimental Data.xlsx - This file contains the experimental data used to produce figures 6 and 7 in the aforementioned paper<br /> Model.xlsx - This file contains verified versions of the Heyrovsky-Volmer, Tafel-Volmer and Heyrovsky-Tafel-Volmer mechanisms developed in the paper mentioned above. These excel spreadsheets may be used to fit experimental data user the Solver function in Excel.</p> <p>Heyrovsky-Tafel.cdf, Heyrovsky-Tafel-Volmer.cdf, Tafel-Volmer.cdf, Heyrovsky-Volmer.cdf - These are "computable document format" files produced using Wolfram Mathematica. They allow easy and quick modification of model parameters to allow real-time exploration of the effect of the parameters on current density (as linear and Tafel plots), hydrogen coverage, Effective Tafel slope, and derived parameters. The CDF viewer is availble to download from the Wolfram site - www.wolfram.com</p>
Dataset from Nature Catalysis paper: Unriddling the role of alkali metal cations and Pt-surface hydroxide in alkaline hydrogen evolution reaction
<p>Dataset of the article "Unriddling the role of alkali metal cations and Pt-surface hydroxide in alkaline hydrogen evolution reaction" accepted in Nature Catalysis.</p> <p>The optimized geometries (in VASP format) and full 100-ps AIMD trajectories (in xyz format) of Pt(111)/water interface with alkali metal cations (Li+, Na+, K+) and with or without surface *OH.</p>
Data from paper: "Design principles for platinum nanoparticles catalysing the electrochemical hydrogen evolution and oxidation reactions: edges are much more active than facets"
<p>The data in this spreadsheet was used to produce the figures in the paper</p> <p>C M Zalitis, A. R. Kucernak, J. Sharman, and E. Wright, "Design principles for platinum nanoparticles catalysing the electrochemical hydrogen evolution and oxidation reactions: edges are much more active than facets"Journal of Materials Chemistry A, 2017, DOI:10.1039/c7ta05543a.</p> <p>Please cite the above reference if you wish to use this data</p>
Ultrahigh Mass Activity Pt Entities Consisting of Pt Single atoms, Clusters, and Nanoparticles for Improved Hydrogen Evolution Reaction
<p>X-ray absorption spectroscopy data in an Athena project file. </p>
Datasets for Reassessing the Intrinsic Hydrogen Evolution Reaction Activity of Platinum using Scanning Electrochemical Cell Microscopy published in Cell Reports Physical Science.
<p>Data set for the publication '' Reassessing the Intrinsic Hydrogen Evolution Reaction Activity of Platinum using Scanning Electrochemical Cell Microscopy'' published in Cell Reports Physical Science.</p>
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