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266 results for “Catalyst”
Dataset: Active learning streamlines development of high performance catalysts for higher alcohol synthesis
<p>In this repository there are five Excel files, three Jupyter notebook files, and a zip archive containing Origin files. </p> <p>The Full_catalytic_performance_data.xlsx file comprises all the experimental and computational catalytic data complied as a part of the research work titled "Active learning streamlines development of high performance catalysts for higher alcohol synthesis" carried out at the Advanced Catalysis Engineering group, ETHZ. The Source_data.xlsx file and .opju files contain the raw data used to create the display items in the manuscript.</p> <p>The repository contains three additional files "Modelling_Data_Phase_1.xlsx", "Modelling_Data_Phase_2.xlsx", "Modelling_Data_Phase_3.xlsx" which contain the curated data to run the Gaussian process -Bayesian Optimization algrotihm across three specific active learning Phases devised in this study. The python codes necessary to run the model are provided as Jupyter Notebook (.ipynb) files and are also available on GitHub in the link provided below.</p>
Electro-Asymmetric.Data_New Organic Catalysts _spectral image.V1.1
Open the record for dataset details and reuse information.
Tuning the macroligand environment of a solid ruthenium phosphine catalyst for the hydrogenation of CO2 to formate
<p>This dataset contains all raw data to the manuscript "Tuning the macroligand environment of a solid ruthenium phosphine catalyst for the hydrogenation of CO2 to formate" of Arne Nisters, Nils Heim, Marcus Rose.</p>
Catalyst Control over S(IV)-stereogenicity via Carbene-derived Sulfinyl Azolium Intermediates
<p><span>This folder /DFT_optimized_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper</span></p> <p><span>"Catalyst Control over S(IV)-stereogenicity via Carbene-derived Sulfinyl Azolium Intermediates"</span></p> <p><span>where conformers occur, they are always named from the lowest Gibbs energy to the highest in ascending order from c1 (sometimes omitted), c2, c3, ...</span></p>
Data used for the paper Daniel Malko, Yanjun Guo, Pip Jones, George Britovsek, and Anthony Kucernak, "Heterogeneous iron containing carbon catalyst (Fe-N/C) for epoxidation with molecular oxygen|", Journal of Catalysis, 2019, DOI:10.1016/j.jcat.2019.01.008
<p>The data in this spreadsheet was used to produce the figures in the paper</p> <p>Daniel Malko, Yanjun Guo, Pip Jones, George Britovsek, and Anthony Kucernak</p> <p>Heterogeneous iron containing carbon catalyst (Fe-N/C) for epoxidation with molecular oxygen</p> <p>Journal of Catalysis</p> <p>DOI:10.1016/j.jcat.2019.01.008</p> <p>Please cite the above reference if you wish to use this data<br> DOI of this data file is: 10.5281/zenodo.2539183</p>
Extended data for Manuscript: Introduction to Genomic Analysis Workshop: A catalyst for engaging life-science researchers in high throughput analysis
<p>This is the extended data for the manuscript submitted to F1000 Research titled:</p> <p><strong>Introduction to Genomic Analysis Workshop: A catalyst for engaging life-science researchers in high throughput analysis</strong></p> <p>The data provided includes redacted attendee data from a workshop, survey responses from an anonymous survey of participants, and a figure describing the overall workshop directory flow. </p>
Mechanistic Study of Ethanol Decomposition on Co3O4(111) and Pd/Co3O4(111) Model Catalysts
<p>SRPES, NAP-XPS, and TPD data for ethanol adsorption and decomposition on Co3O4(111) and pd/Co3O4.</p>
Cheng et al. OCM catalysts
<p>This repository includes experimental data presented in following manuscript: Y. Cheng et al., "The combined effect of the oxidizing agent and its concentration on the oxidative coupling of methane performance", submitted to ChemCatChem</p> <p>The data file contains results that have been presented in the figures of the manuscirpt.</p>
Research Data for "Electronic structure and stability of the active surface phase of NixCo3-xO4 spinel alkaline O2 evolution electrocatalysts: from an epitaxial model catalyst perspective"
<p>These datasets support main text and supplementary figures and tables of the paper "Electronic structure and stability of the active surface phase of NixCo3-xO4 spinel alkaline O2 evolution electrocatalysts: from an epitaxial model catalyst perspective" appearing in <em>ACS Applied Energy Materials </em>under DOI: <a href="https://doi.org/10.1021/acsaem.4c01688">https://doi.org/10.1021/acsaem.4c01688 </a></p>
Pd-Al2O3 Catalyst for Ammonia
<p>Galaxy RO Crate object containing the workflow and data with the reproduction of the results published in: D. Decarolis, A. H. Clark, T. Pellegrinelli, M. Nachtegaal, E. W. Lynch, C. R. A. .Catlow, E. K. Gibson, A. Goguet, P. P. Wells (2021). <em>Spatial Profiling of a Pd/Al2O3 Catalyst during Selective Ammonia Oxidation</em> DOI: <a href="http://dx.doi.org/10.1021/acscatal.0c05356">10.1021/acscatal.0c05356</a>.</p> <p>This RO is published as part of the research data submitted for the paper <strong>Facilitating Reproducibility in Catalysis Research with Managed Workflows and RO-Crates: A Galaxy Case Study</strong>, ChemCatChem, DOI: 10.1002/cctc.202401676.</p>
Unravelling the Molecular Structure and Confining Environment of an Organometallic Catalyst Heterogenized within Amorphous Porous Polymers
<p>Raw data corresponding to Figure 4c of the following publicaiton: </p> <div> <div> <div>Jabbour, R.; Ashling, C. W.; Robinson, T. C.; Khan, A. H.; Wisser, D.; Berruyer, P.; Ghosh, A. C.; Ranscht, A.; Keen, D. A.; Brunner, E.; Canivet, J.; Bennett, T. D.; Mellot-Draznieks, C.; Lesage, A.; Wisser, F. M. Unravelling the Molecular Structure and Confining Environment of an Organometallic Catalyst Heterogenized within Amorphous Porous Polymers. <em>Angewandte Chemie International Edition</em> <strong>2023</strong>, <em>62</em> (44), e202310878. <a href="https://doi.org/10.1002/anie.202310878">https://doi.org/10.1002/anie.202310878</a>.</div> </div> </div>
Primary NMR data: A Facile Approach to the Synthesis of 3-Acylisoxazole Derivatives by the Use of Reusable Solid Acid Catalysts
<p>This dataset is primary NMR data in the paper: A Facile Approach to the Synthesis of 3-Acylisoxazole Derivatives by the Use of Reusable Solid Acid Catalysts.</p>
Catalyst-Controlled Stereoselective Barton–Kellogg Olefination
<p>Data underlying the figures in the publication “Catalyst-Controlled Stereoselective Barton–Kellogg Olefination”, published in <em>Angew. Chem. Int. Ed.</em>, <strong>2021</strong>.</p> <p><a href="https://doi.org/10.1002/anie.202109519">https://doi.org/10.1002/anie.202109519</a></p> <p>Table of contents:</p> <p><strong>1. BartonKellogg_NMC</strong>; Mesrenova file containing the NMRs of all the compounds described in the publication.</p>
Boosting Activity and Stability of Metal Single-Atom Catalysts via Regulation of Coordination Number and Local Composition
<p>Optimized geometry coordinates in DFT calculations for the publication "Boosting Activity and Stability of Metal Single-Atom Catalysts via Regulation of Coordination Number and Local Composition".</p> <p> </p>
Perovskite modified catalysts with improved coke resistance for steam reforming of glycerol to renewable hydrogen fuel
<p>Catalytic steam reforming of renewable<span> feedstock to renewable energy or chemicals always goes with intense coking activities that produce carbonaceous products leading to low performance and eventual catalyst deactivation. A supported</span> metal catalyst such as Ni/Al<sub>2</sub>O<sub>3</sub> is known to catalyse gasification and decomposition of biomass feedstock largely for renewable fuel production with promising results. Catalyst deactivation from high carbon deposition, agglomeration, and phase transformations resulting in rapid deactivation are some of the issues identified with the use of the catalyst. In this work, improvement on the coke resistance and catalytic properties of the Ni/Al<sub>2</sub>O<sub>3</sub> catalyst is sought via the use of a thermally stable and coke-resistant perovskite La<sub>0.75</sub>Sr<sub>0.25</sub>Cr<sub>0.5</sub>Mn<sub>0.5</sub>O<sub>3-δ</sub> (LSCM) as catalyst promoter/modifier and involving Zirconia-doped Ceria (Ce-Zr) as alternative support in steam reforming of pure and by-product glycerol. The stabilizing influence of the LSCM on the Ni catalyst has improved stability against agents of deactivation with a significant improvement of catalytic activity of Ni/Al<sub>2</sub>O<sub>3</sub> in H<sub>2</sub> production and robust suppression of carbon deposition. Particularly, the synergy between the LSCM promoter and alternative Ce<sub>0.75</sub>Zr<sub>0.25</sub>O<sub>2</sub> support enhanced the basic and redox properties known for Ce<sub>0.75</sub>Zr<sub>0.25</sub>O<sub>2</sub> support in contrast to the weak acid centres in the γ-Al<sub>2</sub>O<sub>3</sub> support which further improved nickel stability, catalyst-support interaction with a resultant high catalytic activity, and robust coke suppression as a result of enhanced oxygen mobility. There is a correlation between the product distribution, nature of coke deposited, and reforming temperature, as well as the type of support and structural modification. Hence, the integration of a robust perovskite material as a catalyst promoter and choice of support could be tailored in the design and development of robust catalyst systems to improve the performance of supported metal catalysts particularly the suppression of carbon deposition for hydrocarbon and biomass conversion to renewable fuel or chemicals.</p>
Dataset for the paper "Oxygen reduction reaction activity in non-precious single atom (M-N/C) catalysts – contribution of metal and carbon/nitrogen framework-based sites", 2023, ACS Catalysis, DOI:10.1021/acscatal.3c00356
<p>The data in this spreadsheet was used to produce the figures in the paper</p> <p>Authors:Mengjun Gong, Asad Mehmood, Basit Ali, Kyung-Wan Nam and Anthony Kucernak</p> <p>Title:Oxygen reduction reaction activity in non-precious single atom (M-N/C) catalysts – contribution of metal and carbon/nitrogen framework-based sites</p> <p>Journal:ACS Catalysis</p> <p>DOI:10.1021/acscatal.3c00356</p> <p>Please cite the above reference if you wish to use this data</p> <p>DOI of data:10.5281/zenodo.7879881</p>
Efficient Copolymerization of Acrylate and Ethylene with Neutral P, O-Chelated Nickel Catalysts: Mechanistic Investigations of Monomer In-sertion and Chelate Formation
<p>This folder contains the optimized geometries accompanying the manuscript titled</p> <p> </p> <p>Efficient Copolymerization of Acrylate and Ethylene with Neutral P, O-Chelated Nickel Catalysts: Mechanistic Investigations of Monomer In-sertion and Chelate Formation</p> <p> </p> <p>The structures are given in .xyz format with the gas-phase energy given in au.</p>
Open Data for publication Influence of the Time Scale on the Reaction Mechanism of CO Oxidation over a Au/TiO2 Catalyst
<p>The file contains the origianl raw data for publication:</p> <p>Influence of the Time Scale on the Reaction Mechanism of CO Oxidation over a Au/TiO2 Catalyst, Angewandte Chemie, 2023</p> <p>The data contains the IR spectra of the CO2 signal, the IR spectra at different temepratures (modulation experiments) and the IR spectra for different modulation periods at 50 deg C (modulation experiments), as described in the publication.</p>
Data set for the journal article "Hydrogen dissociation sites on indium-based ZrO2-supported catalysts for hydrogenation of CO2 to methanol"
<p>Raw data for the article " Hydrogen dissociation sites on indium-based ZrO2-supported catalysts for hydrogenation of CO2 to methanol", already published in Catalysis Today, DOI: https://doi.org/10.1016/j.cattod.2021.04.010</p> <p>Folder names describe the type of data content. All details concerning conditions and equipment for measurements can be found in the main text and supporting information of the article.</p>
Molecular and structural insights into H2 indicator supraparticles: lowering the limit of detection by tuning incorporated catalyst nanoparticles
<p>Raw data from DRIFTS experiments, TEM and SEM microscopy, Zeta potential measurements, and TGA measurements for the article "Molecular and structural insights into H2 indicator supraparticles: lowering the limit of detection by tuning incorporated catalyst nanoparticles" published in Chemistry of Materials <a href="https://doi.org/10.1021/acs.chemmater.3c01105">https://doi.org/10.1021/acs.chemmater.3c01105</a>.</p>
ScienceDex guides
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.