Carbon capability survey 2024

This survey dataset analyses the ‘carbon capability’ of a representative sample of the UK population (n = 2001). The focus is on attitudes and behaviours, as well as norms and structural factors which enable and constrain individuals’ ability to lead low-carbon lifestyles. The sample is representative of age, gender, region, education and ethnicity. Participants responded to questions spanning the main components of household-level carbon footprints: energy use, transportation, food and diet, and shopping habits. The survey was designed to enable the calculation of individual-level carbon footprints. Questions on the role of influence and citizenship with respect to climate change are also included

Carbon Capability survey

This survey uses a nationally representative sample of UK households, and asks over 300 questions relating to climate change and carbon capability. The questions were designed to span key sources of household emissions: energy, transport, food and consumption, as well as other factors which contribute to individuals' carbon capability: influence on others, and citizenship behaviours. It was conducted in March and April 2022, in two waves due to the large number of questions

Dataset for modelling studies presented in 'Ultra-high discharged energy density capacitor using high aspect ratio Na0.5Bi0.5TiO3 nanofibers'

Data obtained from 2D finite element electrostatic model of a single high permittivity inclusion within a low permittivity matrix. The angle and aspect ratio of the inclusion has been varied and the local electric field in each element recorded and stored in the raw data files. Permittivity is recorded for each structure. A compiled dataset is also included on the study of the effect of an interfacial layer between the high permittivity inclusion and low permittivity matrix on the electric field distribution within the composite. In this case the maximum field concentration within the matrix and the interfacial layer are recorded alongside the permittivity for varying interlayer thickness

Nanostructuring perovskite oxides: The impact of SrTiO3 nanocubes 3D self-assembly on thermal conductivity

The research demonstrates that nanostructuring the perovskite oxide SrTiO3 via 3D assemblage of nanocubes leads to a lower the thermal conductivity over a broad range of temperatures. This is particularly valuable in thermoelectric materials applications. The assemblages are comprised of pristine perovskite grain interiors confined by SrO or TiO2-rich interfaces resembling Ruddlesden Popper and Magneli phases. The research also demonstrates that it is possible to generate vibrational fingerprints of the by a combination of lattice and molecular dynamics. TiO2-rich assemblages display splitting of the active modes similar to anatase providing a way to distinguish them from SrO-rich assemblages. Finally, we show that the IR active low vibrational frequencies are sensitive to the structure and could provide an efficient experimental route for identifying and characterizing materials with very low thermal conductivity. The results are in the paper, while the repository contains the structures of all of the related structures used in the lattice and molecular dynamics calculations

Dataset for Tungsten Bronze Barium Neodymium Titanate (Ba6-3nNd8+2nTi18O54): an Intrinsic Nanostructured Material and its Defect Distribution

Accepted 10-Mar-2016 Journal: Inorganic Chemistry The acronym for the configurations is: "% of columns with substitution" - "column number" - "fraction of substitution in each column" 50_COL1_1 and 50_COL3_1 have fully substituted sites in columns types 1 and 3 respectively but only 50% of the columns are substituted. 100_COL2_1 has 100% Ba substitution in columns type 2 and 100% of columns were fully substituted; this is because the unit cell only contains half the number of columns type 2 compared to columns types 1 and 3. 100_COL1_05 and 100_COL3_05 have Ba substitution in 100% of columns type 1 and 3 respectively but only 50% of substitution in each column; substitution was performed such that Ba ions were placed to minimize Coulombic interactions. all calcualtions are performed using the VASP code (vienna ab initio simulation package). all information needed to reproduce the data can be found in the vasprun.xml files for each structure

Preliminary DFT study of the isomers of a Zirconium complexe of bipyrrolidine derived Salan ligand

Article title: Zirconium complexes of bipyrrolidine derived Salan ligands for the isoselective polymerisation of rac-lactide Authors: Matthew D. Jones,* Stuart L. Hancock, Paul McKeown, Pascal M. Schäfer, Antoine Buchard, Lynne H. Thomas, Mary F. Mahon,* and John P. Lowe DFT study: Computed free enthalpies of the potential isomers of a Zr(IV) meso-2,2’-bipyrrolidine-salan derived complex Protocol: rPBE0/6-31G(d)-LANL2dz Content: Gaussian09 rev C.01 output file

DFT Study of Aluminium complexes of bipyrrolidine derived Salan ligands for the hetero- selective polymerisation of rac-lactide

Article title: Complexes of bipyrrolidine derived Salan ligands for the iso- and hetero- selective polymerisation of rac-lactide Authors: Matthew D. Jones,* Lauren Brady, Paul McKeown, Antoine Buchard, Pascal M. Schäfer, Lynne H. Thomas, Mary F. Mahon, Timothy J. Woodman and John P. Lowe DFT study: Computed free enthalpies of the potential isomers of some Al(IV) meso-2,2’-bipyrrolidine-salan derived complexes Protocol: rwb97XD/6-311+G(d) (Al,N,O)-6-31g(d) (C,H)/cpcm=toluene/T=353.1K Content: Gaussian09 rev C.01 output file

Advanced optimisations of fac-mer and trans-meso isomers of Zr(3)(OiPr)2

Article title: Zirconium complexes of bipyrrolidine derived Salan ligands for the isoselective polymerisation of rac-lactide Authors: Matthew D. Jones,* Stuart L. Hancock, Paul McKeown, Pascal M. Schäfer, Antoine Buchard, Lynne H. Thomas, Mary F. Mahon,* and John P. Lowe DFT study: Computed free enthalpies of some potential isomers of a Zr(IV) meso-2,2’-bipyrrolidine-salan derived complex Protocol: M06-2X /cc-pVTZ/ ECP28MDF/ SCRF=(cpcm,solvent= chloroform) Content: Gaussian09 rev C.01 output file

Dataset for "A Novel In Situ High-Temperature Magnetometry Method for Radiofrequency Heating Applications"

The data provided here is for the electromagnetic heating of magnetite under radio-frequencies. The data includes that from material characterisation, in-situ magnetometry, calorimetry, in-situ power absorption measurement and arc-tangent modelling results. The data is aligned to the figures in the research publication and is intended that future researchers can make their own analysis based upon our work

Dataset for "A Novel In Situ High-Temperature Magnetometry Method for Radiofrequency Heating Applications"

The data provided here is for the electromagnetic heating of magnetite under radio-frequencies. The data includes that from material characterisation, in-situ magnetometry, calorimetry, in-situ power absorption measurement and arc-tangent modelling results. The data is aligned to the figures in the research publication and is intended that future researchers can make their own analysis based upon our work