UK Catalysis Hub Data Objects

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Repository (78)
16 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: Development and characterization of thermally stable supported V–W–TiO<sub>2</sub> catalysts for mobile NH<sub>3</sub>–SCR applications Date: 2017-01-01 00:00:00 UTC
Description: Vanadium based catalysts supported on a mixture of tungsten and titanium oxide (V<sub>2</sub>O<s...
DOI: 10.6084/M9.FIGSHARE.4641169.V1 Location: https://tandf.figshare.com/articles/journal_contribution/Development_and_characterization_of_thermally_stable_supported_V_W_TiO_sub_2_sub_catalysts_for_mobile_NH_sub_3_sub_SCR_applications/4641169/1
Article: Development and characterization of thermally stable supported V–W–TiO2 catalysts for mobile NH3–SCR applications
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)
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 344
https://pubs.acs.org 146
https://www.rsc.org 130
https://static-content.springer.com 85
https://ars.els-cdn.com 60
https://chemistry-europe.onlinelibrary.wiley.com 50
https://onlinelibrary.wiley.com 33
https://www.rcsb.org 28
https://www.nature.com 22
https://data.isis.stfc.ac.uk 19
Summary
Repositories 78
Average: 14.21
Maximum: 344
Minimum: 1
Groups Data objects
1-5 57
6-10 7
11-15 4
16-20 1
more than 20 9
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Data object groups
Group Data objects
Compressed file [zip] 11
Crystal structure [cif/pdbe] 438
Dataset 101
Document [pdf/html/docx/ppt] 518
Media File (image/video) 26
Protein Sequence 1
Software [app/api/service/source code] 7
xyz 6
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Recent data objects
Name Description Publised
41598_2023_43523_MOESM1_ESM.pdf Free energy along drug-protein binding pathways interactively sampled in... 2023
adma202302825-sup-0001-SuppMat.pdf Supporting Information for Adv. Mater., DOI 10.1002/adma.202302825... 2023
ja3c05863_si_001.pdf Supporting information: Chemical Recycling of Commercial Poly(L-lactic a... 2023
emi16488-sup-0001-Supinfo.docx Copper bioreduction and nanoparticle synthesis by an enrichment culture ... 2023
41467_2023_40284_MOESM2_ESM.pdf Peer Review File Understanding Catalytic Synergy in Dinuclear Polymeriza... 2023
41467_2023_40284_MOESM1_ESM.pdf Supl. Information Understanding Catalytic Synergy in Dinuclear Polymeriz... 2023
1-s2.0-S0021951723001677-mmc1.pdf Supporting Information Efficient low-loaded ternary Pd-In2O3-Al2O3 catal... 2023
adfm202302102-sup-0001-SuppMat.pdf Supporting Information for Adv. Funct. Mater., DOI: 10.1002/adfm.2023021... 2023
zaac202300016-sup-0001-misc_information.pdf Supporting Information Torsional Control of Frustrated Lewis Pair Behavi... 2023
jp3c00952_si_001.pdf Electronic Supl. Information (ESI) Study and modeling of the kinetics of... 2023

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