Setiau Data Ymchwil (664)
Research Area
Characterisation of a vascular self-healing cementitious material system - data - Selvarajoo T, Davies RE, Gardner DR, Freeman BL, Jefferson AD (2020). Cardiff University. 10.17035/d.2019.0081928129.
The simulation of transport processes in cementitious materials with embedded healing systems: data - Freeman BL, Jefferson AD (2020). Cardiff University. 10.17035/d.2019.0082101918.
Simulating the self-healing processes of an autonomic cementitious material system - data - Jefferson AD, Freeman BL (2020). Cardiff University. 10.17035/d.2020.0082102087.
Rapid Microwave-Assisted Polyol Synthesis of TiO2-Supported Ruthenium Catalysts for Levulinic Acid Hydrogenation: data - Howe AGR, Maunder RJ, Morgan DJ (2019). Cardiff University. 10.17035/d.2019.0082332629.
Dynamic malware analysis kernel and user-level calls - dataset - Nunes MA (2019). Cardiff University. 10.17035/d.2019.0082395337.
Liquid phase hydrogenation of CO2 to formate using palladium and ruthenium nanoparticles supported on molybdenum carbide: data - Mitchell C, Terranova U, Alshibane I, Morgan DJ, Davies TE, He Q, Hargreaves JSJ, Sankar M, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0082439850.
Molecular behaviour of phenol in zeolite Beta catalysts as a function of acid site presence: a quasielastic neutron scattering and molecular dynamics simulation study - data - Hernandez Tamargo C, O'Malley A, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0082440884.
Iron-Catalyzed Borrowing-Hydrogen β‐C(sp3)‐Methylation of Alcohols - Polidano K, Morrill LC (2019). Cardiff University. 10.17035/d.2019.0082983146.
Quantitative Optical Microspectroscopy, Electron Microscopy, and Modelling of Individual Silver Nanocubes Reveals Surface Compositional Changes at the Nanoscale - data - Wang Y, Zilli A, Sztranyovszky Z, Langbein WW, Borri P (2020). Cardiff University. 10.17035/d.2019.0083359483.
Source and input files to run DOFAS - Ouro P, (2019). Cardiff University. 10.17035/d.2019.0083917166.
One-pot conversion of allylic alcohols to a-methyl ketones via iron-catalyzed isomerization-methylation - Latham DE, Polidano K, Morrill LC (2019). Cardiff University. 10.17035/d.2019.0084111418.
Structure-property-reactivity studies on dithiaphospholes - data - Melen R, Ould D (2019). Cardiff University. 10.17035/d.2019.0084454664.
Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1-xMn2O4 spinel (0.000 < x < 0.375) - data - Ramogayana B, Santos Carballal D, Aparicio Sanchez P, Quesne M, Maenetja KP, Ngoepe PE, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0085116020.
Thermal Conductivity Tests on 3D printed cob - data - Gomaa M, Carfrae J, Goodhew S, Jabi W, Veliz Reyez A (2019). Cardiff University. 10.17035/d.2019.0085543144.
Polymorphism of L-Tryptophan: data - Al Rahal O, Hughes CE, Williams PA, Logsdail AJ, Diskin-Posner Y, Harris KDM (2019). Cardiff University. 10.17035/d.2019.0085816490.
Surface phase metastability during Langmuir evaporation: dataset - Hannikainen K, Gomez D, Pereiro J, Niu YR, Jesson DE, (2019). Cardiff University. 10.17035/d.2019.0085857240.
Structural, energetic, and magnetic properties of cobalt clusters in size range N = 2 - 1500 atoms - Farkas B, de Leeuw NH (2020). Cardiff University. 10.17035/d.2019.0085921605.
Interface chemistry between 4-aminothiophenol (4ATP) molecule and Zn3P2 surfaces - dataset - Dzade NY (2020). Cardiff University. 10.17035/d.2019.0086503638.
Combined Density Functional Theory and Molecular Dynamics Study of Sm0.75A0.25Co1-xMnxO2.88 (A=Ca, Sr; x=0.125, 0.25) Cathode Material for Next Generation Solid Oxide Fuel Cell: data - Olsson E, Cottom J, Aparicio-Angles X, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0086840493.
Carbon dioxide reduction on strontium titanate perovskites - data - Terranova U, de Leeuw NH (2020). Cardiff University. 10.17035/d.2019.0086887209.
Mechanistic study of the hydrazine decomposition on Ir(111) - data - Lu X, Francis S, Motta D, Dimitratos N, Roldan A (2020). Cardiff University. 10.17035/d.2019.0087115515.
Manganese-catalyzed electrochemical deconstructive chlorination of cycloalkanols via alkoxy radicals: dataset - Allen BDW, Mishra D, Seastram AC, McBride T, Wirth T, Browne DL, Morrill LC, (2019). Cardiff University. 10.17035/d.2019.0087324419.
Enhanced Concrete Crack Closure with Hybrid Shape Memory Polymer Tendons - data - Balzano B, Jefferson AD, Sweeney J, Thompson G (2020). Cardiff University. 10.17035/d.2020.0087406377.
N-Heterocyclic Carbene Acyl Anion Organocatalysis by Ball-Milling - Nicholson W, Seastram AC, Iqbal SA, Reed-Berendt BG, Morrill LC, Browne DL, (2019). Cardiff University. 10.17035/d.2019.0087455694.
Unravelling the early oxidation mechanism of zinc phosphide (Zn3P2) surfaces by adsorbed oxygen and water: a first-principles DFT-D3 investigation - Dzade NY (2020). Cardiff University. 10.17035/d.2019.0088117956.
Self-healing properties of supplementary cementitious materials in cement mortars: sorptivity and pore structure - data - Maddalena R, Gardner DR (2021). Cardiff University. 10.17035/d.2019.0088368190.
A novel dual mode X-band EPR resonator for rapid in situ microwave heating - data - Folli A, Choi H, Barter M, Harari J, Richards E, Wagstaffe G, Slocombe D, Porch A, Murphy DM (2019). Cardiff University. 10.17035/d.2019.0088702672.
Interface Structure and Band Alignment of CZTS/CdS Heterojunction: An Experimental and First-principles DFT Investigation - data - Rondiya S, Jadhav Y, Nasane M, Jadkar S, Dzade NY (2020). Cardiff University. 10.17035/d.2019.0089432082.
Altering the conductivity of CuO through the formation of intrinsic defects - data - Živković A, de Leeuw NH (2020). Cardiff University. 10.17035/d.2019.0089582693.
Replica Exchange Molecular Dynamics Simulation of Coordination of Pt(II)-Phenanthroline to Amyloid-Beta - Platts J (2019). Cardiff University. 10.5281/zenodo.3250227.
1,3-Carboboration of iodonium ylides - Gazis TA, Mohajeri Thaker BAJ, Willcox D, Ould DMC, Wenz J, Rawson JM, Hill MS, Wirth T, Melen RL (2020). Cardiff University. 10.17035/d.2019.0090828346.
Mapping the Surface Phase Diagram of GaAs(001) using Droplet Epitaxy - data - Pereiro J, Hannikainen K, Jesson DE, Niu YR, Gomez D, (2019). Cardiff University. 10.17035/d.2019.0090902258.
Radical Reactivity of Frustrated Lewis Pairs with Diaryl Esters - data - Soltani Y, Dasgupta A, Gazis TA, Ould DCM, Richards E, Slater B, Stefkova K, Vladimirov VY, Wilkins LC, Willcox D, Melen RL (2019). Cardiff University. 10.17035/d.2020.0091287984.
Grain size data from rock deformation experiments on chlorite, epidote, and amphibole-rich samples - Fagereng A, Ikari MJ (2020). Cardiff University. 10.17035/d.2020.0092132507.
Atomistic molecular dynamics simulations of propofol and fentanyl in phosphatidylcholine lipid bilayers - data - Faulkner C, Santos-Carballal D, Plant DF, de Leeuw NH (2020). Cardiff University. 10.17035/d.2020.0092362446.
Data from publication: Augmenting microbially induced carbonate precipitation of soil with the capability to self-heal - Botusharova SP, Gardner DR, Harbottle M (2020). Cardiff University. 10.17035/d.2020.0097363828.
Data from an Investigation of Music Analysis by the Application of Grammar-based Compressor - Humphreys DJ, Sidorov K, Marshall AD, Jones AC (2021). Cardiff University. 10.17035/d.2020.0098047203.
Research data from "The influence of oxygen vacancy and Ce3+ ion positions on the properties of small gold clusters supported on CeO2-X(111)" - Engel J, Schwartz E, Catlow CRA, Roldan A (2020). Cardiff University. 10.17035/d.2020.0098139066.
Manganese-Catalyzed One-Pot Conversion of Nitroarenes into N-Methylarylamines Using Methanol - data - Reed-Berendt B, Mast N, Morrill LC (2020). Cardiff University. 10.17035/d.2020.0098190202.
Pyrrhotite Characterisation and Catalytic Testing Data - Mitchell C, Terranova U, Beale A, Morgan DJ, de Leeuw NH, Sankar M (2020). Cardiff University. 10.17035/d.2020.0098194792.
Thermoluminescence, Photoluminescence and Optically Stimulated Luminescence Characteristics of CaSO4:Eu Phosphor: An Experimental and Density Functional Theory (DFT) Investigation - dataset - Mandlik NT, Rondiya SR, Dzade NY, Kulkarni MS, Sahare PD, Bhatt BC, Dhole SD (2020). Cardiff University. 10.17035/d.2020.0098315425.
Divergent Elementoboration: 1,3‐Haloboration versus 1,1‐Carboboration of Propargyl Esters - Wilkins LC, Soltani Y, Lawson JR, Slater B, Melen RL (2018). Cardiff University. 10.17035/d.2020.0098717132.
Facile synthesis of precious-metal single-site catalysts using organic solvents - Sun X, Dawson S, Parmentier TE, Malta G, He Q, Morgan DJ, Kondrat SA, Freakley S, Kiely CJ, Hutchings GJ, (2020). Cardiff University. 10.17035/d.2020.0098831512.
Enhanced Field Emission Properties of Au/SnSe Nano-heterostructure: A Combined Experimental and Theoretical Investigation - dataset - Rondiya SR, Jadhav CD, Chavan PG, Dzade NY (2020). Cardiff University. 10.17035/d.2020.0098900038.
A specialised finite element for simulating self-healing quasi-brittle materials - data - Freeman BL, Bonilla-Villalba P, Mihai IC, Alnaas WF, Jefferson AD (2020). Cardiff University. 10.17035/d.2020.0099148076.
First–principles Investigation of the Structural, Elastic, Electronic, and Optical Properties of α– and β–SrZrS3: Implications for Photovoltaic Applications - Eya HI, Ntsoenzok E, Dzade NY (2020). Cardiff University. 10.17035/d.2020.0099250231.
Planar tensor encoding data - Afzali M (2020). Cardiff University. 10.17035/d.2020.0100087604.
Scanning electron microscopy, atomic and magnetic force microscopy and simulation data of a single Nickel nanowire - Askey J, Hunt M, Langbein WW, Ladak S, (2020). Cardiff University. 10.17035/d.2020.0100144529.
The Direct Synthesis of Hydrogen Peroxide from H2 and O2 Using Pd-Ni/TiO2 Catalysts - data - Lewis RJ, Crole DA, Underhill R, Shaw G, Edwards JK, Hutchings GJ (2020). Cardiff University. 10.17035/d.2020.0101908221.
Survey data for US and UK on Public risk perceptions of carbon dioxide removal - Cox E, Spence E, Pidgeon N (2020). Cardiff University. 10.17035/d.2020.0101974649.
Level set topology optimization for design-dependent pressure loads using the reproducing kernel particle method - Neofytou A, Picelli R, Huang T-H, Kim HA, (2020). Cardiff University. 10.17035/d.2020.0102035847.
Risk Score data for Cyberattacks - Javed A, Lakoju M, Burnap P, Rana OF (2020). Cardiff University. 10.17035/d.2020.0102115178.
Cyanine dye mediated mitochondrial targeting enhances the anti-cancer activity of small-molecule cargoes - data - Nodling AR, Mills EM, Li X, Cardella D, Sayers EJ, Jones AT, Luk LYP, Tsai Y-H, (2020). Cardiff University. 10.17035/d.2020.0102334803.
The formation of methanol from glycerol bio-waste over doped ceria-based catalysts - data - Devlia J, Smith L, Douthwaite JM, Taylor SH, Willock DJ, Hutchings GJ, Dummer NF (2020). Cardiff University. 10.17035/d.2020.0102336163.
Interaction of SO2 with the Platinum (001), (011) and (111) Surfaces: A DFT Study - data - Ungerer MJ, Santos-Carballal D, Cadi-Essadek A, van Sittert CGCE, de Leeuw NH, (2020). Cardiff University. 10.17035/d.2020.0102392045.
Competitive Adsorption of H2O and SO2 on the Catalytic Platinum Surfaces: A Density Functional Theory Study - data - Ungerer Marietjie J, Santos-Carballal David, Cadi-Essadek Abdel-Aziz, van Sittert Cornelia GCE, de Leeuw Nora H (2023). Cardiff University. 10.17035/d.2020.0102392217.
First-Principles Mechanistic Insights into the Hydrogen Evolution Reaction on Ni2P Electrocatalyst in Alkaline Medium - Cross RW, Dzade NY (2020). Cardiff University. 10.17035/d.2020.0102983129.
ZnO/CuSCN Nano-Heterostructure as a Highly Efficient Field Emitter: a Combined Experimental and Theoretical Investigation - dataset - Baviskar PK, Rondiya SR, Patil GP, Sankapal BR, Pathan HM, Chavan PG, Dzade NY (2020). Cardiff University. 10.17035/d.2020.0102985077.
Quartz EBSD data used for piezometer calculations - Tulley CJ, Fagereng A, Muir D (2020). Cardiff University. 10.17035/d.2020.0103412582.
Development of 3D printed networks in self-healing concrete - data - De Nardi C, Jefferson AD, Gardner DR (2020). Cardiff University. 10.17035/d.2020.0103500878.
Steady state wave-field response for aluminium structures of varying thickness - data - Purcell FAF, Pullin R, Eaton M, Pearson M, (2020). Cardiff University. 10.17035/d.2020.0103586142.
Dielectric spectroscopy of hydrogen treated hexagonal boron nitride ceramics - data - Cuenca J (2020). Cardiff University. 10.17035/d.2020.0104704770.
B(C6F5)3-Catalyzed Direct C3 Alkylation of Indoles and Oxindoles - data - Basak S, Alvarez-Montoya A, Winfrey L, Melen RL, Morrill LC, Pulis AP (2020). Cardiff University. 10.17035/d.2020.0104936560.
Biomass HDO Catalysts Innovation from Atomistic Activity Predictors - data - Morteo-Flores F, Engel J, Roldan A (2020). Cardiff University. 10.17035/d.2020.0104938086.
Carbon Dioxide Removal questionnaire results - Cox E, Spence E (2020). Cardiff University. 10.17035/d.2020.0106264948.
Effect of support acidity during selective hydrogenolysis of glycerol over supported palladium ruthenium catalysts - data - Guadix-Montero S, Santos-Hernandez A, Folli A, Sankar M (2020). Cardiff University. 10.17035/d.2020.0106627295.
In silico studies of the interactions between propofol and fentanyl using gaussian accelerated molecular dynamics - data - Faulkner C, de Leeuw NH (2020). Cardiff University. 10.17035/d.2020.0106797733.
The optical nanosizer: high-throughput measurement of size and shape of individual nanoparticles by widefield extinction micro-spectroscopy - data - Langbein WW, Borri P, Payne L (2020). Cardiff University. 10.17035/d.2020.0107215015.
Segregation of cobalt from PtCo nanoparticles: the case of Au doping and core AuCo alloying - data - Farkas B, de Leeuw NH (2020). Cardiff University. 10.17035/d.2020.0107653692.
Development and testing of vascular networks for self-healing cementitious materials - data - Davies RE, Gardner DR, Jefferson AD (2020). Cardiff University. 10.17035/d.2020.0107901898.
Faraday-cage-assisted etching of suspended gallium nitride nanostructures - data - Sobiesierski A, Shabbir S, Thomas S, Beggs D, Bennett A (2020). Cardiff University. 10.17035/d.2020.0108194561.
Raw data for "Adipic acid formation from cyclohexanediol using platinum and vanadium catalysts: Elucidating the role of homogeneous vanadium species" - Rogers O, Pattisson SD, Engel RV, Jenkins RL, Whiston K, Taylor SH, Hutchings GJ, (2020). Cardiff University. 10.17035/d.2020.0108567396.
Triarylborane Catalyzed Alkenylation Reactions of Aryl Esters with Diazo-Compounds - dataset - Dasgupta A, Stefkova K, Babaahmadi R, Gierlichs L, Ariafard A, Melen RL (2020). Cardiff University. 10.17035/d.2020.0109448471.
Room-temperature Quantum Emitter in Aluminum Nitride - data - Bishop S, Hekmati R, Alzahrani F, Hadden J, Bennett A (2020). Cardiff University. 10.17035/d.2020.0110094158.
Uncovering the origin of enhanced field emission properties of rGO–MnO2 heterostructures: a synergistic experimental and computational investigation - data - Rondiya SR, Karbhal I, Jadhav CD, Nasane MP, Davies TE, Shelke MV, Jadkar SR, Chavan PG, Dzade NY (2020). Cardiff University. 10.17035/d.2020.0111099343.
Borane Catalyzed Stereoselective C–H insertion, Cyclopropanation, and Ring-Opening Reactions - data - Dasgupta A, Babaahmadi R, Slater B, Yates BF, Ariafard A, Melen RL (2020). Cardiff University. 10.17035/d.2020.0111365980.
InP Quantum Dot Mode-Locked Laser Data - Li Z, Allford CP, Shutts S, Forrest AF (2020). Cardiff University. 10.17035/d.2020.0111414926.
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" - Logsdail A, Nastase SA, Catlow CRA (2020). Cardiff University. 10.17035/d.2020.0111777454.
The Carbonate-Catalysed Transesterification of Sunflower Oil for Biodiesel Production: In Situ Monitoring and Density Functional Theory Calculations - data - Nyepetsi M, Mbaiwa F, Oyetunji OA, Dzade NY, de Leeuw NH (2021). Cardiff University. 10.17035/d.2020.0112138531.
Enhanced photocatalytic activity of N, P, co-doped carbon quantum dots: an insight from experimental and computational approach - data - Yashwanth HJ, Rondiya SR, Dzade NY, Dhole SD, Phase DM, Hareesh K (2020). Cardiff University. 10.17035/d.2020.0112140691.
Linear stability of the flow of a second order fluid past a wedge - Cracco M, Davies C, Phillips TN, (2020). Cardiff University. 10.17035/d.2020.0112209117.
SHREC'20: Shape correspondence with non-isometric deformations - Sketchfab (data) - Dyke RM, Lai Y, Rosin PL (2020). Cardiff University. 10.17035/d.2020.0112373427.
SHREC'20: Non-rigid Shape Correspondence of Physically-Based Deformations (data) - Dyke RM, Zhou F, Lai Y, Rosin PL (2020). Cardiff University. 10.17035/d.2020.0112374975.
The development, design and characterisation of a scale model horizontal axis tidal turbine for dynamic load quantification - data - Allmark M, O'Doherty T, Mason-Jones A, Ellis R, Lloyd C, Byrne C (2021). Cardiff University. 10.17035/d.2020.0112663799.
SHREC'20: Shape correspondence with non-isometric deformations - AIM@SHAPE (data) - Dyke RM, Lai Y, Rosin PL (2020). Cardiff University. 10.17035/d.2020.0112716358.
Probing the structure of Copper(II)-Casiopeina type coordination complexes [Cu(O-O)(N-N)]+ by EPR and ENDOR Spectroscopy - data - Folli A, Ritterskamp N, Richards E, Platts JA, Murphy DM (2020). Cardiff University. 10.17035/d.2020.011271657.
The role of growth directors in controlling the morphology of hematite nanorods - data - Davies PR, Davies JA, Sankar M, Guan S, Allender CJ, Bowen JL (2020). Cardiff University. 10.17035/d.2020.0112804647.
Quantitative label-free imaging of lipid domains in single bilayers by hyperspectral coherent Raman scattering - data - Nahmad-Rohen A, Regan DC, Masia F, McPhee CI, Pope I, Langbein WW, Borri P (2020). Cardiff University. 10.17035/d.2020.0112949840.
Polymorphism in a Multicomponent Crystal System of Trimesic Acid and t‑Butylamine - data - Yan Y, Kariuki B, Hughes CE, Logsdail A, Harris KDM (2020). Cardiff University. 10.17035/d.2020.0112966517.
Q factor and frequency data for parallel plate resonator calibration - Gumbleton R, Hefford SJ, Cuenca JA, Nai K, Porch A, (2020). Cardiff University. 10.17035/d.2020.0113563620.
Characteristics of K2Ca2(SO4)3:Eu TLD nanophosphor for its applications in electron and gamma rays dosimetry - data - Mandlik NT, Sahare PD, Rondiya SR, Dzade NY, Deore AV, Dahiwale SS, Dhole SD (2020). Cardiff University. 10.17035/d.2020.0114040390.
Simulating ancillary service provision from a peer-to-peer energy trading community - data - Zhou Y, Wu J (2020). Cardiff University. 10.17035/d.2020.0114344992.
Synthesis and Reactivity of Fluorinated Triaryl Aluminium Complexes - data - Ould DMC, Carden JL, Melen RL (2020). Cardiff University. 10.17035/d.2020.0114501208.
Nanostructured zeolite with brain-coral morphology and tailored acidity: A self-organized hierarchical porous material with MFI topology - data - Selvam E, Parsapur RK, Hernandez-Tamargo CE, de Leeuw NH, Selvam P (2020). Cardiff University. 10.17035/d.2020.0115255376.
CW EPR Investigation of Red-Emitting CaS:Eu Phosphors: Rationalization of Local Electronic Structure - data - Spencer JN, Murphy DM (2020). Cardiff University. 10.17035/d.2020.0115658963.
An investigation of ammonia primary flame combustor concepts for emissions reduction with OH*, NH2* and NH* chemiluminescence at elevated conditions - data - Bowen PJ, Giles AP, Marsh R, Pugh DG, Runyon JP, Goktepe B, Hewlett SG, Valera-Medina A (2020). Cardiff University. 10.17035/d.2020.0115660514.
First-principles DFT Insights into the Adsorption of Hydrazine on Bimetallic β1-NiZn Catalyst: Implications for Direct Hydrazine Fuel Cells - data - Cross RW, Rondiya SR, Dzade NY (2020). Cardiff University. 10.17035/d.2020.0115779666.
Transition Metal Free alpha-C-Alkylation of Ketones Using Secondary Alcohols - data - Dambatta M (2020). Cardiff University. 10.17035/d.2020.0116098795.
CO2 hydrogenation to CH3OH over PdZn catalysts, with reduced CH4 production - data - Ruiz Esquius J, Bahruji H, Taylor SH, Bowker M, Hutchings GJ (2020). Cardiff University. 10.17035/d.2020.0116381908.
Simulation data from: The direct synthesis of hydrogen peroxide over Au and Pd nanoparticles: A DFT study. - Willock D, Agarwal N, Thomas L, Nasrallah A, Mala A (2020). Cardiff University. 10.17035/d.2020.0116559060.