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
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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
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Name: Document S2. Article plus supplemental information. Date: 2021-02-17 00:00:00 UTC
Description: Document S2. Article plus supplemental information.
DOI:
Location: https://ars.els-cdn.com/content/image/1-s2.0-S2666386421000345-mmc2.pdf
Article: Catalytic decomposition of NO2 over a copper-decorated metal–organic framework by non-thermal plasma
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Name: Document S1. Supplemental experimental procedures, Figures S1–S15, and Tables S1–S8. Date: 2021-02-17 00:00:00 UTC
Description: Document S1. Supplemental experimental procedures, Figures S1–S15, and Tables S1–S8.
DOI:
Location: https://ars.els-cdn.com/content/image/1-s2.0-S2666386421000345-mmc1.pdf
Article: Catalytic decomposition of NO2 over a copper-decorated metal–organic framework by non-thermal plasma
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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
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Name: Crystal structure data Date: 2022-11-08 00:00:00 UTC
Description: Crystal structure data
DOI:
Location: https://www.rsc.org/suppdata/d2/sc/d2sc04192h/d2sc04192h2.cif
Article: Controlled monodefluorination and alkylation of C(sp<sup>3</sup>)–F bonds by lanthanide photocatalysts: importance of metal–ligand cooperativity
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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
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Name: CIF data also at CCDC Date: 2022-09-22 00:00:00 UTC
Description: CIF data also at CCDC
DOI:
Location: https://www.rsc.org/suppdata/d2/dt/d2dt02888c/d2dt02888c8.cif
Article: Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation
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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
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Name: Atomic Coordinates Date: 2022-09-22 00:00:00 UTC
Description: Atomic Coordinates
DOI:
Location: https://www.rsc.org/suppdata/d2/dt/d2dt02888c/d2dt02888c1.xyz
Article: Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation
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