Data sets
Most of the data sets published by NCCR Catalysis members are indexed on our Zenodo community.
Below is an index of those data sets and those that are published on other repositories.
| Title | DOI |
|---|---|
| Asymmetric Cyclopropanation and Epoxidation via a Catalytically Formed Chiral Auxiliary | 10.5281/zenodo.5848181 |
| Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous Catalysis | 10.5281/zenodo.6340467 |
| Biocatalysed synthesis planning using data-driven learning | 10.5281/zenodo.6361411 |
| Colloidal-ALD-Grown Hybrid Shells Nucleate via a Ligand–Precursor Complex | 10.5281/zenodo.6193067 |
| Controlled Formation of Dimers and Spatially Isolated Atoms in Bimetallic Au-Ru Catalysts via Carbon-Host Functionalization | 10.5281/zenodo.6325285 |
| Direct Photoexcitation of Ethynylbenziodoxolones: An Alternative to Photocatalysis for Alkynylation Reactions** | 10.5281/zenodo.5205584. |
| Elucidating the structure-dependent selectivity of CuZn towards methane and ethanol in CO2 electroreduction using tailored Cu/ZnO precatalysts | 10.24435/materialscloud:3r-gn |
| Flame Spray Pyrolysis as a Synthesis Platform to Assess Metal Promotion in In2O3-Catalyzed CO2 Hydrogenation | 10.19061/iochem-bd-1-219 |
| Generalizing Performance Equations in Heterogeneous Catalysis from Hybrid Data and Statistical Learning | 10.19061/iochem-bd-1-228 10.19061/iochem-bd-1-150 10.19061/iochem-bd-1-152 |
| Genetic Optimization of Homogeneous Catalysts | 10.24435/materialscloud:fz-sw |
| Improving the lifetime of hybrid CoPc@MWCNT catalysts for selective electrochemical CO2-to-CO conversion | 10.17632/9jvgfbcm2j.1 |
| Mechanistic routes toward C3products in copper-catalysed CO2electroreduction | 10.19061/iochem-bd-1-175 |
| NaviCatGA: A flexible Genetic Algorithm Optimizer for the NaviCat project | 10.5281/zenodo.5786558 |
| Redispersion strategy for high-loading carbon-supported metal catalysts with controlled nuclearity | 10.5281/zenodo.6325256 |
| Structure sensitivity of nitrogen–doped carbon–supported metal catalysts in dihalomethane hydrodehalogenation | 10.19061/iochem-bd-1-210 |
| The capping agent is the key: Structural alterations of Ag NPs during CO2 electrolysis probed in a zero-gap gas-flow configuration | 10.5281/zenodo.6401829 |
| Tosyloxybenziodoxolone: A Platform for Performing the Umpolung of Alkynes in One-Pot Transformations | 10.5281/zenodo.5767223 |
| Tracking high-valent surface iron species in the oxygen evolution reaction on cobalt iron (oxy)hydroxides | 10.5281/zenodo.5723296 |
| Visualisation and quantification of flooding phenomena in gas diffusion electrodes used for electrochemical reduction: A combined EDX/ICP–MS approach | 10.5281/ZENODO.6037503 |
| volcanic: Automated Generator of Volcano Plots | 10.5281/zenodo.5760796 |
| ZnO-Promoted Inverse ZrO2–Cu Catalysts for CO2-Based Methanol Synthesis under Mild Conditions | 10.5281/zenodo.6319808 |
| Oxidase-TypeCH/CHCouplingUsinganIsoquinoline-DerivedOrganicPhotocatalyst | 10.5281/zenodo.6325397 |
| Surface intermediates in In-based ZrO2-supported catalysts for hydrogenation of CO2 to methanol | 10.1021/acs.jpcc.1c08814 |
| Porous polyisothiocyanurates for selective palladium recovery and heterogeneous catalysis | 10.5281/zenodo.6589973 |
| A generalized machine learning framework to predict the space-time yield of methanol from thermocatalytic CO2 hydrogenation | 10.5281/zenodo.6541445 |
| Mapping Active Site Geometry to Activity in Immobilized Frustrated Lewis Pair Catalysts | 10.5281/zenodo.6451293 |
| Highly Selective Oxidative Dehydrogenation of Ethane to Ethylene via Chemical Looping with Oxygen Uncoupling through Structural Engineering of the Oxygen Carrier | 10.1002/aenm.202200405 |
| Performance descriptors of nanostructured metal catalysts for acetylene hydrochlorination | 10.19061/opchem/bd-1-222 10.19061/iochem/bd-1-204 |
| Automated Image Analysis for Single-Atom Detection in Catalytic Materials by Transmission Electron Microscopy | 10.5281/zenodo.5931544 |
| Palladium-Catalyzed trans-Hydroalkoxylation: Counterintuitive Use of an Aryl Iodide Additive to Promote C–H Bond Formation | 10.5281/zenodo.6634788 |
| Elucidation of Metal Local Environments in Single-Atom Catalysts Based on Carbon Nitrides | 10.5281/zenodo.6359849 |
| Elucidation of radical- and oxygenate-driven paths in zeolite-catalysed conversion of methanol and methyl chloride to hydrocarbons | 10.5281/zenodo.6547649 |
| Novel Ni Foam Catalysts for Sustainable Nitrate to Ammonia Electroreduction | 10.5281/zenodo.6659731 |
| Cracks as Efficient Tools to Mitigate Flooding in Gas Diffusion Electrodes Used for the Electrochemical Reduction of Carbon Dioxide | 10.5281/zenodo.6421142 |
| Copper Phosphonate Lamella Intermediates Control the Shape of Colloidal Copper Nanocrystals | 10.5281/zenodo.6362954. |
| Electronic Regulation of Nickel Single Atoms by Confined Nickel Nanoparticles for Energy-Efficient CO2 Electroreduction | 10.1002/anie.202203335 |
| Long-chain hydrocarbons by CO2 electroreduction using polarized nickel catalysts | 10.5281/zenodo.6331376 10.19061/iochem-bd-1-200 |
| Sustainable polyesters via direct functionalization of lignocellulosic sugars | 10.5281/zenodo.6482769 |
| Na-β-Al2O3 stabilized Fe2O3 oxygen carriers for chemical looping water splitting: correlating structure with redox stability | 10.1039/D1TA10507H |
| An Artificial Metalloenzyme Based on a Copper Heteroscorpionate Enables sp3 C–H Functionalization via Intramolecular Carbene Insertion | 10.5281/zenodo.6793475 |
| Assessing the environmental benefit of palladium-based single-atom heterogeneous catalysts for Sonogashira coupling | 10.5281/zenodo.6135989 |