Research Datasets (73)

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Density Functional Theory Modelling of the Zeolite-mediated Tautomerization of Phenol and Catechol - Hernandez-Tamargo CE, Roldan A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2016.0010313443.
Bessel-beam hyperspectral CARS microscopy with sparse sampling: Enabling high-content high-throughput label-free quantitative chemical imaging - Masia F, Pope I, Watson PD, Langbein WW, Borri P (2018). Cardiff University. 10.17035/d.2017.0038287344.
Surface zeta potential and diamond seeding on gallium nitride films - Mandal S, Thomas ELH, Middleton C, Griffiths J (2018). Cardiff University. 10.17035/d.2017.0038570276.
Wide-field imaging of single nanoparticle extinction with sub-nm^2 noise floor - Payne L, Langbein WW, Borri P (2018). Cardiff University. 10.17035/d.2017.0039371539.
Optical Microscopy as a probe of the rate limiting transport lifetime in InSb/Al1-xInxSb quantum wells - McIndo CJ, Hayes DG, Papageorgiou A, Hanks LA, Smith GV, Allford CP, Zhang S, ClarkeEM, Buckle PD (2018). Cardiff University. 10.17035/d.2017.0040827720.
AFM tip-based nanomachining with increased cutting speed at the tool-workpiece interface - Brousseau E, Geng Y (2018). Cardiff University. 10.17035/d.2017.0040949516.
Investigation of the catalytic performance of Pd/CNFs for hydrogen evolution from additive-free formic acid decomposition - Sanchez F, Motta D, Roldán A, Hammond C, Villa A, Dimitratos N (2018). Cardiff University. 10.17035/d.2018.0043025579.
Hydrogen generation from additive-free formic acid decomposition under mild conditions by Pd/C: Experimental and DFT studies - Sanchez Trujillo FJ, Motta D, Roldan A, Hammond C, Villa A, Dimitratos N (2018). Cardiff University. 10.17035/d.2018.0043032399.
Copper oxide for potential photovoltaic application - density functional theory simulation datasets - Živković A, Roldan A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2017.0043151204.
Mechanochemical Electrophilic Fluorination of Liquid Beta-Ketoesters - Howard JL, Sagatov Y, Browne DL (2018). Cardiff University. 10.17035/d.2017.0043204405.
Development and evaluation of tissue model infection - Morse DJ, Williams DW, Wei X, Wilson MJ, Lewis MAO, Murdoch C, Bradshaw D (2018). Cardiff University. 10.17035/d.2017.0044151363.
Laser nearfield measurements - Elliott S (2018). Cardiff University. 10.17035/d.2018.0044311604.
Defined covalent assembly of protein molecules on graphene using a genetically encoded photochemical reaction handle - Zaki AJ, Thomas SK, Watson P, Hayes AJ, Craciun MF, Elliott M (2018). Cardiff University. 10.17035/d.2018.0045008721.
Building community-driven vertical greening systems for people living on less than £1 a day: a case study in Nigeria - DATASET - Akinwolemiwa OH, Gwilliam JA, Bleil De Souza C, De Luca L (2018). Cardiff University. 10.17035/d.2018.0045008945.
The deposition of metal nanoparticles on carbon surfaces: the role of specific functional groups - Bowden B, Davies M, Davies PR, Guan S, Morgan DJ, Roberts V, Wotton D (2018). Cardiff University. 10.17035/d.2018.0045183226.
Pioneering simulations in electrochemistry: the frontiers in first principles modelling - Roldan A (2018). Cardiff University. 10.17035/d.2018.0045298414.
Raw data for "DFT-Computed Trends in the Properties of Bimetallic Precious-Metal Nanoparticles With Core@shell Segregation" - Logsdail AJ, Paz-Bórbon LO, Downing CA (2018). Cardiff University. 10.17035/d.2018.0045513133.
Data to support "A survey on problems encountered in current concrete construction and the potential benefits of self-healing cementitious materials" - Gardner DR, Lark RJ, Jefferson AD, Davies RE, O'Sullivan W, Porter J, Coleman P (2018). Cardiff University. 10.17035/d.2018.0045754162.
CO₂ interaction with the violarite FeNi₂S₄{001} and {111} surfaces - Posada-Pérez S, Santos-Carballal D, Terranova U, Roldan A, Illas F, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0046360243.
Simultaneous neutron powder diffraction and microwave dielectric studies of ammonia absorption in metal–organic framework systems - Barter M, Porch A, Forgan RS, Jones MO (2018). Cardiff University. 10.17035/d.2018.0046822874.
Raw data for "Comparison between Modelled and Measured Magnetic Field Scans of Different Planar Coil Topologies for Stress Sensor Applications" - Gibbs RM, Moreton G, Meydan T, Williams PI (2018). Cardiff University. 10.17035/d.2018.0046955726.
Simulating Peer-to-Peer Energy Trading in a Microgrid - Zhang C, Wu J, Zhou Y, Cheng M, Long C (2018). Cardiff University. 10.17035/d.2018.0046980048.
Resonant-state expansion of three-dimensional open optical systems: Light scattering - Lobanov SV, Langbein WW, Muljarov EA (2018). Cardiff University. 10.17035/d.2018.0046980331.
Hydrogen production from formic acid decomposition in liquid phase using functionalised Pd/CNFs - Sanchez Trujillo FJ, Motta D, Roldan A, Hammond C, He Q, Davies TS, Dimitratos N (2018). Cardiff University. 10.17035/d.2018.0048663064.
QENS analysis of industrially relevant small pore zeolites - Silverwood I, Catlow CR, Collier P, Sarwar M, Parker S, O'Malley A, York A, Mantarosie L, Hitchcock I, Hindocha S (2018). Cardiff University. 10.5286/ISIS.E.63530347.
Supported Metal Nanoparticles with Tailored Catalytic Properties through Sol immobilisation: Applications for the Hydrogenation of Nitrophenols - Rogers SM, Catlow CRA, Gianolio D, Wells PP, Dimitratos N (2018). Cardiff University. 10.17035/d.2018.0049146792.
New insights for the valorisation of glycerol over MgO catalysts in the gas-phase - dataset - Smith LR, Smith PJ, Mugford KS, Douthwaite JM, Dummer NF, Willock DJ, Howard M, Knight DW, Taylor SH, Hutchings GJ (2018). Cardiff University. 10.17035/d.2018.0049493818.
Ultrafast Magnetization Dynamics in a Nanoscale Three-Dimensional Cobalt Tetrapod Structure - Sahoo S, Mondal S, Williams GI, May A, Ladak S, Barman A (2018). Cardiff University. 10.17035/d.2018.0049660686.
Surface Oxidation of Troilite FeS - Terranova U, Mitchell C, Meenakshisundaram S, Morgan DJ, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0049771917.
Influence of steam addition and elevated ambient conditions on NOx reduction in a staged premixed swirling NH3 /H2 flame - Pugh DG, Bowen PJ, Valera Medina A, Giles AP, Runyon JP, Marsh R (2018). Cardiff University. 10.17035/d.2018.0049851796.
Anglesey network data for Ofgem Electricity Network Innovation Competition ANGLE-DC project - Long C, Qi Q, Wu J (2018). Cardiff University. 10.17035/d.2018.0050208156.
Behavioural machine activity for benign and malicious Win7 64-bit executables - Burnap P, Rhode M (2018). Cardiff University. 10.17035/d.2018.0050524986.
Stability and Mobility of Supported Nin (n = 1-10) Clusters on ZrO2(111) and YSZ(111) Surfaces: a Density Functional Theory Study - Cadi-Essadek A, Roldan A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0050609499.
Codes for "Computing diffusivities from particle models out of equilibrium" - Zimmer J, Embacher PA, Dirr M, Reina C (2018). Cardiff University. 10.15125/BATH-00488.
Peer-to-peer energy sharing through a two-stage aggregated battery control in a community microgrid - Long C, Wu J, Zhou Y, Jenkins N (2018). Cardiff University. 10.17035/d.2018.0050698286.
Temperature Correction Using Degenerate Modes for Cylindrical Cavity Perturbation Measurements - dataset - Barter M, Partridge SL, Slocombe DR, Porch A (2018). Cardiff University. 10.17035/d.2018.0050743125.
Iron-catalyzed methylation using the borrowing hydrogen approach - Polidano K, Allen BDW, Williams JMJ, Morrill LC (2018). Cardiff University. 10.17035/d.2018.0051041048.
Metal Binding to Amyloid Beta 1-42: A Ligand Field Molecular Dynamics Study - Platts J (2018). Cardiff University. 10.5281/zenodo.1289167.
Next-generation sequencing read data for bacterial microbiome profiling - Morse DJ, Smith A, Williams DD, Lewis MAO, Marsh LL, Wilson MJ, Wei X (2018). Cardiff University. 10.17035/d.2018.0051571814.
Data for publication "Hybrid-DFT Modelling of Lattice and Surface Vacancies in MnO" - Logsdail AJ, Downing CA, Keal TW, Sherwood P, Sokol AA, Catlow CRA (2018). Cardiff University. 10.17035/d.2018.0052063074.
Non-specific chronic low back pain: differences in peak flexion spinal angles in subgroups during functional tasks - Hemming R, Sheeran L, van Deursen R, Sparkes V (2018). Cardiff University. 10.17035/d.2018.0052094453.
Adsorption of Oxygen on Low Miller index Surfaces of hcp Cobalt - Farkas B, Cadi-Essadek A, Santos Carballal D, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0052762507.
Matching diagnostics development to clinical need: target product profile development for a point of care test for community-acquired lower respiratory tract infection - survey data - Gal M, Francis NA, Hood K, Villacian J, Goossens H, Watkins A, Butler CC (2018). Cardiff University. 10.17035/d.2018.0052917920.
Mechanochemical Activation of Zinc and Application to Negishi Cross-Coupling - Browne DL, Cao Q, Howard JL (2018). Cardiff University. 10.17035/d.2018.0052918729.
Investigating char agglomeration in blast furnace coal injection: dataset - Sexton DC, Steer JM, Marsh R, Greenslade M (2018). Cardiff University. 10.17035/d.2018.0053234243.
Test DSET for Outlook junking 13/07/2018 - Bartlett LM (2018). Cardiff University. 10.17035/d.2018.0053450388.
Indirect Reciprocity and the Evolution of Prejudicial Groups - Colombo G, Whitaker RM (2018). Cardiff University. 10.17035/d.2018.0054105515.
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