UK Catalysis Hub Data Objects

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18 data objects found

Data objects
Name: PdZn catalysts for CO2 hydrogenation to methanol using chemical vapour impregnation (CVI) Date: 2017-01-01 00:00:00 UTC
Description: The formation of PdZn bimetallic alloys on ZnO, TiO2 and Al2O3 supports was investigated, togeth...
DOI: 10.17035/d.2016.0011312728 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/11312728?auxfun=&lang=en_GB
Article: PdZn catalysts for CO2 hydrogenation to methanol using chemical vapour impregnation (CVI)
Name: Numerical data and further representations on descriptors correlation from Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors Date: 2020-01-01 00:00:00 UTC
Description: Circular economy emphasizes the idea of transforming products involving economic growth and impr...
DOI: 10.6084/m9.figshare.12429290 Location: https://rs.figshare.com/articles/Numerical_data_and_further_representations_on_descriptors_correlation_from_Biomass_hydrodeoxygenation_catalysts_innovation_from_atomistic_activity_predictors/12429290
Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
Name: Supplementary information final from Methanol photo-reforming with water on pure titania for hydrogen production Date: 2020-01-01 00:00:00 UTC
Description: Methanol photo-reforming with water on pure titania for hydrogen production
DOI: 10.6084/m9.figshare.12376925.v1 Location: https://rs.figshare.com/articles/Supplementary_information_final_from_Methanol_photo-reforming_with_water_on_pure_titania_for_hydrogen_production/12376925/1
Article: Methanol photo-reforming with water on pure titania for hydrogen production
Name: Supplementary material from "Methanol photo-reforming with water on pure titania for hydrogen production" Date: 2020-01-01 00:00:00 UTC
Description: The behaviour of titania for the photo-reforming of methanol with water at ambient temperature h...
DOI: 10.6084/m9.figshare.c.4994573 Location: https://rs.figshare.com/collections/Supplementary_material_from_Methanol_photo-reforming_with_water_on_pure_titania_for_hydrogen_production_/4994573
Article: Methanol photo-reforming with water on pure titania for hydrogen production
Name: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study - data Date: 2021-01-01 00:00:00 UTC
Description: The bulk and surface properties of early transition metal silicon carbides as well as their acti...
DOI: 10.17035/d.2021.0128671491 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/128671491?auxfun=&lang=en_GB
Article: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study
Name: Combination of Cu/ZnO methanol synthesis catalysts and ZSM-5 zeolites to produce oxygenates from CO2 and H2 - data Date: 2021-05-16 00:00:00 UTC
Description: Cu/ZnO methanol catalysts were deposited over several ZSM-5 acid zeolites (Si/Al = 30, 50 and 80...
DOI: 10.17035/d.2021.0129557921 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/129557921?auxfun=&lang=en_GB
Article: Combination of Cu/ZnO Methanol Synthesis Catalysts and ZSM-5 Zeolites to Produce Oxygenates from CO2 and H2
Name: QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y: data Date: 2020-01-01 00:00:00 UTC
Description: The dataset presented is associated with a computational investigation of how a crucial intermed...
DOI: 10.17035/d.2020.0122278013 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/122278013
Article: QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y
Name: Data for "Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loading and Si/Al ratio using first principles molecular dynamics simulations" Date: 2020-01-01 00:00:00 UTC
Description: Data is presented for: a) The interaction distances between specific atoms of interest (defined...
DOI: 10.17035/d.2020.0111777454 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/111777454
Article: Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations
Data objects per year
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Data objects accumulated vs. per year
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Data objects per repository
Repository Data objects
https://www.ccdc.cam.ac.uk 353
https://pubs.acs.org 173
https://www.rsc.org 153
https://static-content.springer.com 92
https://ars.els-cdn.com 64
https://chemistry-europe.onlinelibrary.wiley.com 55
https://onlinelibrary.wiley.com 36
https://data.isis.stfc.ac.uk 33
https://www.rcsb.org 27
https://www.nature.com 22
Summary
Repositories 78
Average: 15.47
Maximum: 353
Minimum: 1
Groups Data objects
1-5 57
6-10 7
11-15 4
more than 20 10
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Data object groups
Group Data objects
Compressed file [zip] 14
Crystal structure [cif/pdbe] 436
Dataset 127
Document [pdf/html/docx/ppt] 589
Media File (image/video) 28
Software [app/api/service/source code] 7
xyz 6
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Recent data objects
Name Description Publised
LaMnO3 catalytic behaviour Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Catalysts in gasoline particulate filters Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Reproducing the FeS2 Example from the Demeter Tutorials These files are provided to complement the learning materials for managi... 2024
Pt3Sn nanoparticle electrocatalysts Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Pd-Al2O3 Catalyst for Ammonia Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
N2O decomposition on LaMnO3 Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
MoOx/Al2O3 Cyclic Operation Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Ultra-dilute Au colloids Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Diphosphine ligands in iron Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Palladium-Catalyzed CO Oxidation Galaxy RO Crate object containing the workflow and data with the reprodu... 2024

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