UK Catalysis Hub Data Objects

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Data object type (2)
Repository (79)
15 data objects found

Data objects
Name: Biomass HDO Catalysts Innovation from Atomistic Activity Predictors – data Date: 2020-04-01 00:00:00 UTC
Description: This dataset was produced un course of a density functional theory (DFT) study exploring the rel...
DOI: 10.17035/d.2020.0104938086 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/104938086?auxfun=&lang=en_GB
Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
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: 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
Name: H2 production by the photocatalytic reforming of cellulose and raw biomass using Ni, Pd, Pt and Au on titania Date: 2016-07-01 00:00:00 UTC
Description: A method has been developed for sustainable hydrogen production using sunlight and biomass. It i...
DOI: 10.17035/d.2016.0011488532 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/11488532?auxfun=&lang=en_GB
Article: H2 production by the photocatalytic reforming of cellulose and raw biomass using Ni, Pd, Pt and Au on titania
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: Identification of C2-C5 products from CO2 hydrogenation over PdZn/TiO2-ZSM-5 hybrid catalysts - data Date: 2019-06-01 00:00:00 UTC
Description: A PdZn/TiO2 methanol catalysts was physically mixed with different ZSM-5 zeolites with different...
DOI: 10.17035/d.2021.0129194354 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/129194354?auxfun=&lang=en_GB
Article: Identification of C2–C5 products from CO2 hydrogenation over PdZn/TiO2–ZSM-5 hybrid catalysts
Name: Multifunctional supported bimetallic catalysts for a cascade reaction with hydrogen auto transfer: synthesis of 4-phenylbutan-2-ones from 4-methoxybenzyl alcohols Date: 2017-01-01 00:00:00 UTC
Description: We report the one-pot tandem synthesis of 4-(4-methoxyphenyl)butan-2-one directly from 4-methoxy...
DOI: 10.17035/d.2017.0033515199 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/33515199?auxfun=&lang=en_GB
Article: Multifunctional supported bimetallic catalysts for a cascade reaction with hydrogen auto transfer: synthesis of 4-phenylbutan-2-ones from 4-methoxybenzyl alcohols
Name: Optimising Terpene Synthesis with Flow Biocatalysis Date: 2017-01-01 00:00:00 UTC
Description: Sesquiterpenes are an important family of natural products that often exhibit important pharmace...
DOI: 10.17035/d.2016.0011675544 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/11675544?auxfun=&lang=en_GB
Article: Optimising Terpene Synthesis with Flow Biocatalysis
Name: Pd segregation to the surface of Au on Pd(111) and on PdTiO2(110) Date: 2017-02-01 00:00:00 UTC
Description: The interaction of Au and Pd in bimetallic systems is important in a number of areas of technolo...
DOI: 10.17035/d.2016.0009299603 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/9299603?auxfun=&lang=en_GB
Article: Pd segregation to the surface of Au on Pd(111) and on Pd/TiO 2 (110)
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)
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 79
Average: 15.28
Maximum: 353
Minimum: 1
Groups Data objects
1-5 58
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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