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Dataset results
47 results for “CO2 reduction”
Raw data for the article "Visualisation and quantification of flooding phenomena in gas diffusion electrodes used for electrochemical CO2 reduction: A combined EDX/ICP–MS approach"
<p>Raw data for the article "Visualisation and quantification of flooding phenomena in gas diffusion electrodes used for electrochemical CO2 reduction: A combined EDX/ICP–MS approach", published in Journal of Catalysis 2022 408:1–8, doi: <a href="https://doi.org/10.1016/j.jcat.2022.02.014">10.1016/j.jcat.2022.02.014</a></p> <p>Folder names describe the type of data content.</p>
Unintended cation crossover influences CO2 reduction selectivity in Cu-based zero-gap electrolysers
<p>Dataset for the publication "Unintended cation crossover influences CO2 reduction selectivity in Cu-based zero-gap electrolysers"</p>
Pathways to enhance electrochemical CO2 reduction identified through direct pore-level modeling (data for figures)
<p>This is the data used to create the figures in the article "Pathways to enhance electrochemical CO2 reduction identified through direct pore-level modeling".</p> <p>Published in EES Catalysis</p> <p>DOI: 10.1039/d3ey00122a<br> Evan Johnson<br> Etienne Boutin<br> Shuo Liu<br> Sophia Haussener</p> <p><br> Additional notes are given in the "ReadMe.txt" file.</p>
Dataset for publication "Enhancing C≥2 product selectivity in electrochemical CO2 reduction by controlling the microstructure of gas diffusion electrodes"
<p>Data used for publication:</p> <p>Broad topic: electrochemical reduction of CO2 using gas diffusion electrodes and neutral electrolyte</p> <p>Data is devided in subfolders named after the figure of the paper.</p> <p>Raw data, processed data, and Origin/Power Point files are all contained in the subfolders </p> <p>A subfolder corresponding to a sample contains: data from a potentiostat, gas and liquid chromatograms, recording of flow, pressure and temperature, tables of calculated Faradaic efficiency (FE), png image of the FE vs t, zipped raw files.</p> <p>.json file was created using a yadg scheme (https://dgbowl.github.io/yadg/master/index.html), and data was processed by a dgpost scheme (<a href="https://pypi.org/project/dgpost/">https://dgbowl.github.io/dgpost/master/index.html</a>)</p>
Dataset for publication "Importance of Substrate Pore Size and Wetting Behavior in Gas Diffusion Electrodes for CO2 Reduction"
<p>Dataset for the publication "Importance of Substrate Pore Size and Wetting Behavior in Gas Diffusion Electrodes for CO2 Reduction" containing war and processed data used to compose the various figures. </p> <p>DOI Publication: <a href="https://doi.org/10.1021/acsaem.2c03054">https://doi.org/10.1021/acsaem.2c03054</a> </p>
Dataset for publication "Parallel experiments in electrochemical CO2 reduction enabled by standardized analytics"
<p>Dataset for the publication: "<strong>Parallel experiments in electrochemical CO<sub>2</sub> reduction </strong><strong>enabled by standardized analytics</strong>", https://doi.org/10.1038/s41929-024-01172-x,<strong> </strong>divided by paper Figure. The dataset contains data that are both raw and processed using the open-source software available at http://dgbowl.github.io </p>
Structure Sensitivity in the Electrocatalytic Reduction of CO2 with Gold Catalysts
<p>Dataset for the manuscript:</p> <p>Mezzavilla, Stefano, Sebastian Horch, Ifan E. L. Stephens, Brian Seger, and Ib Chorkendorff. “Structure Sensitivity in the Electrocatalytic Reduction of CO <sub>2</sub> with Gold Catalysts.” <em>Angewandte Chemie International Edition</em>, February 11, 2019. <a href="https://doi.org/10.1002/anie.201811422">https://doi.org/10.1002/anie.201811422</a>.</p> <p> </p> <p>The following files have been uploaded:</p> <p>1) "raw-data- figures and tables" - Excel file with all the data used in the figures and tables (both main text and SI)</p> <p>2) "Exerimental Methods" - Word file with the details of all the experimental methods used in the work</p> <p> </p>
Computational data for "On the role of metal cations in CO2 electrocatalytic reduction"
<p>This dataset is used for the analysis published in D. Le and T.S. Rahman, "On the role of metal cations in CO<sub>2</sub> electroreduction reduction," Nature Catalysis (2022). DOI:10.1038/s41929-022-00876-2</p>
Coupling Microkinetics with Continuum Transport Models to Understand Electrochemical CO2 Reduction in Flow Reactors
<p>Data supporting the manuscript published in PRX Energy titled "Coupling Microkinetics with Continuum Transport Models to Understand Electrochemical CO2 Reduction in Flow Reactors". Jupyter notebook and included data for recreating the figures in the paper and for additional analysis.</p>
Dataset to "Hydride Formation Diminishes CO2 Reduction Rate on Palladium"
<p>Dataset to "Hydride Formation Diminishes CO2 Reduction Rate on Palladium" as published in ChemPhysChem, 20 (2019), 1398-1403</p>
Data set for the journal article: Tandem electrocatalytic CO2 reduction with Fe-porphyrins and Cu nanocubes enhances ethylene production
<p>Copper-based tandem schemes have emerged as promising strategies to promote the formation<br> of multi-carbon products of the electrocatalytic CO2 reduction reaction. In such approaches,<br> the CO-generating component of the tandem catalyst increases the local concentration of CO<br> and thereby enhances the intrinsic carbon-carbon (C-C) coupling on copper. However, the<br> optimal characteristics of the CO-generating catalyst for maximizing eventual C2 production<br> are currently unknown. In this work, we developed tunable tandem catalysts comprising iron<br> porphyrin (Fe-Por), as the CO-generating component, and Cu nanocubes (Cucub) to understand<br> how the turnover frequency for CO (TOFCO) of the molecular catalysts impacts C-C coupling<br> on the Cu surface. First, we tuned the TOFCO of the Fe-Por by varying the number of orbitals<br> involved in the π-system. Then, by coupling these molecular catalysts with the Cucub, we<br> assessed the current densities and faradaic efficiencies, discovering that all of the designed Fe-<br> Por boost ethylene production. The most efficient Cucub/Fe-Por tandem catalyst was the one<br> including the Fe-Por with the highest TOFCO and exhibited a nearly 22-fold increase in the<br> ethylene selectivity and 100 mV positive shift of the onset potential with respect to the pristine<br> Cucub. These results reveal that coupling the TOFCO tunability of molecular catalysts along with<br> copper nanocatalysts opens up new possibilities towards the development of Cu-based catalysts<br> with enhanced selectivity for multi-carbon product generation at low overpotential.</p>
Electrocatalytic CO2 Reduction Catalyzed by Nitrogenase MoFe and FeFe Proteins
<p>Source data for figures 2 and 3 of publication in <em>Bioelectrochemistry</em> (DOI: 10.1016/j.bioelechem.2017.12.002). Data is in comma delimited format.</p>
Dataset for publication "Operando Observation of (Bi)carbonate Precipitation during Electrochemical CO2 Reduction in Strongly Acidic Electrolytes"
<p>Broad topic: electrochemical reduction of CO2 using Ag/Cu-based gas diffusion electrodes in neutral and acid electrolyte, operando characterisation using synchrotron radiation (wide-angle X-ray scattering), (bi)carbonate precipitation.</p> <p>Data is devided in subfolders named after the figure of the paper.</p> <p>Raw data, processed data, and Origin/PowerPoint files are all contained in the subfolders.</p> <p>Synchrotron raw data are linked to the experiment numbers MA5874 and INHC1776 at ESRF</p> <p>A subfolder corresponding to a sample contains: data from a potentiostat, gas chromatograms, recording of flow, pressure and temperature, tables of calculated Faradaic efficiency (FE), png image of the FE vs t, zipped raw files.</p> <p>.json file was created using a yadg scheme (https://dgbowl.github.io/yadg/master/index.html), and data was processed by a dgpost scheme (<a href="https://pypi.org/project/dgpost/">https://dgbowl.github.io/dgpost/master/index.html</a>)</p> <p>Synchrotron data are analysized using this python library https://github.com/EmpaEconversion/Twaxs</p>
Activity – or lack thereof – of RuO2 based electrodes in the electrocatalytic reduction of CO2
<p>Raw data for the article</p> <p><em>Activity – or lack thereof – of RuO<sub>2</sub> based electrodes in the electrocatalytic reduction of CO<sub>2</sub></em></p> <p>Stefano Mezzavilla, Yu Katayama, Reshma R Rao, Jonathan Hwang, Anna Regoutz, Yang Shao-Horn, Ib Chorkendorff, Ifan Erfyl Lester Stephens</p> <p>DOI: 10.1021/acs.jpcc.9b01431</p> <p> </p> <p>The dataset includes:</p> <p>1) Experimental Methods</p> <p>2) File with raw data of figures in the main text and supplementary Information file (Excel file with multiple tabs)</p>
Data for Coupling Covariance Matrix Adaptation with Continuum Modeling for Determination of Kinetic Parameters Associated with Electrochemical CO2 Reduction
<p>This data set contains digitized and tagged polarization and partial current density data for 18 datasets of CO<sub>2</sub> reduction to H<sub>2</sub> and CO over Ag catalysts, as well as 8 datasets of CO<sub>2</sub> reduction to HCOO<sup>-</sup>, CO, and H<sub>2</sub> over Sn catalysts. We analyze this data using a coupled continuum modeling and covariance matrix adaptation approach for which the codebase is provided in DOI: 10.5281/zenodo.7866195.</p>
Theory-guided development of homogeneous catalysts for the reduction of CO2 to formate, formaldehyde, and methanol derivatives
<p>The stepwise catalytic reduction of carbon dioxide (CO<sub>2</sub>) to formic acid, formaldehyde, and methanol opens non-fossil pathways to important platform chemicals. The present article aims at identifying molecular control parameters to steer the selectivity to the three distinct reduction levels using organometallic catalysts of earth-abundant first-row metals. A linear scaling relationship was developed to map the intrinsic reactivity of 3d transition metal pincer complexes to their activity and selectivity in CO<sub>2</sub> hydrosilylation. The hydride affinity of the catalysts was used as a descriptor to predict activity/selectivity trends in a composite volcano picture, and the outstanding properties of cobalt complexes bearing bis(phosphino)triazine PNP-type pincer ligands to reach the three reduction levels selectively under different reaction conditions could thus be rationalized. The implications of the composite volcano picture were successfully experimentally validated with selected catalysts, and the challenging intermediate level of formaldehyde could be accessed in over 80% yield with the cobalt complex <strong>6</strong>. The results underpin the potential of tandem computational-experimental approaches to propel catalyst design for CO<sub>2</sub>-based chemical transformations.</p>
Surface Charge Boundary Condition Often Misused in CO2 Reduction Models (raw data for graphs)
<p>This contains the raw data, in text file format, for the figures in the journal article "Surface Charge Boundary Condition Often Misused in CO2 Reduction Models" published in Journal of Physical Chemistry C, DOI 10.1021/acs.jpcc.3c05364.</p> <p>The files are in directories corresponding to their figure number, and the files are named with the capacitance. </p> <p> </p> <p> </p>
CO2 Reduction Tafel Dataset for Bayesian Data Analysis
<p>This dataset contains 344 different digitized and tagged Tafel slope datasets from the CO2 reduction literature. We re-analyze this data with a Bayesian data analysis procedure that estimates a Tafel slope and yields distributional uncertainty information about its value. We are releasing this dataset along with our study to facilitate re-analyzing and refitting our data using different models and approaches.</p>
Wastewater alkalinity addition enhancement for carbon emission reduction and marine CO2 removal
<p>The ROMS_RCA model settings of 2010 runs. The reference date of the 'TIME' variable is 1983-01-01.</p> <p>The files with 'Y2010_' in their names contain the boundary data and initial fileds for the model run. The file "ROMSeutro_1strun.inp" lists all the model parameters, while the files with 'CPB_WWTP_ps' in the names are the settings of the discharges from each WWTP outlet. </p> <p>The data used to generate the figures are provided in the MAT file.</p>
Modeling and simulation of a new Urban Lightweight Electric Vehicle concept based on the optimized use of renewable energies and the reduction of CO2 emissions
<p>This work has produced a series of scientifc contributions. This library develops different mathematical expressions and assumptions for the dynamic modelling of an smart-grid located within a solar-powered ULEV are derived. The code was developed using Dymola</p>
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