cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15125/bath-00514
title: Dataset for 'Enhanced Ceria Nanoflakes using Graphene Oxide as a Sacrificial Template for CO Oxidation and Dry Reforming of Methane'

description: This dataset contains characterisation and catalytic data for the manuscript 'Enhanced Ceria Nanoflakes using Graphene Oxide as a Sacrificial Template for CO Oxidation and Dry Reforming of Methane'. Data includes: powder XRD (X-ray diffraction), Raman, nitrogen adsorption isotherms, hydrogen TPR (temperature-programmed reduction), CO oxidation, and dry reforming of methane.
description: Data collection is outlined in the related manuscript.
description: Further relevant documentation may be found in the following resources.

   Rood, S. C., Ahmet, H. B., Gomez-Ramon, A., Torrente-Murciano, L., Reina, T. R., and Eslava, S.,  2019.   Enhanced ceria nanoflakes using graphene oxide as a sacrificial template for CO oxidation and dry reforming of methane.    Applied Catalysis B: Environmental, 242, 358-368.  Available from: https://doi.org/10.1016/j.apcatb.2018.10.011.
DOI: 10.13145/bacdive1972.20240510.9
title: Paraburkholderia mimosarum (Chen et al. 2006) Sawana et al. 2015

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00516
title: Data set for "Taking aversive action: an experimental investigation into the negotiation of bodily limits"

description: This data set includes all data associated with the study, "Taking aversive action: an experimental investigation into the negotiation of bodily limits." The data include Gender, Age, BMI and Activity levels (IPAQ). In addition they include all data associated with the main variables of the study, including Interoceptive Accuracy, Heart Rate Variability, Anxiety Sensitivity, Porges Body awareness, and Mean Power Output. Absolute difference scores are provided for time intervals 1, 2, and 3.
description: Thirty-eight participants (19F; Mean age: 23y; SD±4y) were recruited from a university campus through poster and electronic advertisement. All participants were screened for their health and activity level via the International Physical Activity Questionnaire (IPAQ short form) prior to the initiation of the study (Appendix. 1): only participants determined to be inactive (performed less than 3 x 20 minutes of vigorous exercise per week; <600 MET minutes) and otherwise healthy met the inclusion criteria (Total screened=40; two excluded due to activity levels). Participants were excluded if they had previously completed the maximal exercise tasks, were currently experiencing pain or had a history of pain lasting more than 3 months (full exclusion criteria: diagnosed cardiovascular disease, diagnosed respiratory disorder [COPD; cystic fibrosis] or neurological disorder [TIA, infarction/haemorrhage, cerebral palsy or neurological deficit], diagnosed psychiatric disorders [major depressive disorder; schizophrenia, bipolar]). This study was conducted in accordance with the declaration of Helsinki and ethical approval was obtained from divisions of Health and Psychology. All 38 participants provided written, informed consent.

Participants were required to complete two separate sessions: first a baseline session and then a test session, with a minimum of 24 hours’ rest between each one. For the total duration of both sessions, participants wore a heart rate monitor, which was connected to a Polar V800 watch.  All participants were asked to abstain from alcohol and caffeine in the preceding 24-hours of the baseline and test sessions.
DOI: 10.13145/bacdive1974.20240510.9
title: Burkholderia oklahomensis Glass et al. 2006

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00517
title: Monte Carlo code, input files, and simulation outputs for contact-based collective move simulations of MOF formations (cobalt succinate)

description: A C++ implementation of a molecular Monte Carlo simulation with a contact-based collective move algorithm (CCMC: Contact Cluster Monte Carlo). This simulation features periodic boundary conditions. Interaction energies are defined by two-body distance/energy potentials of mean force, suitable for implicit-solvent simulations.

Input files are provided for simulations of assembly in the cobalt succinate system.

Inputs and outputs of production runs are provided, as these are the full datasets underlying our paper reporting the CCMC method and initial results.
description: The code was written in standard C++ on a Linux system. The data were produced by running the code with inputs provided on a Linux system. The outputs are provided as plain-text simulation output files: molecular structures in CIF format, and statistical reports of the number and size of molecular clusters.
description: The simulation outputs were processed in plain text in order to extract data for input to spreadsheets.
description: All work was conducted on a multiprocessor Linux desktop workstation.
DOI: 10.13145/bacdive1975.20240510.9
title: Paraburkholderia ginsengisoli (Kim et al. 2006) Sawana et al. 2015

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00520
title: Dataset for "Second Harmonic Generation Optical Rotation Solely Attributable to Chirality in Plasmonic Metasurfaces"

description: This is the dataset for "Second Harmonic Generation Optical Rotation Solely Attributable to Chirality in Plasmonic Metasurfaces", including raw data for SHG optical rotation experiments, as well as spectroscopy data and image files obtained from linear optical rotation experiments.
description: Details of data collection methods can be found in the associated paper - see methodology link below
description: CZI files can be opened in any copy of Zeiss’ Zen software, or any other software package listed on the CZI web page: https://www.zeiss.com/microscopy/int/products/microscope-software/zen/czi.html
description: Further relevant documentation may be found in the following resources.

   Collins, J. T., Hooper, D. C., Mark, A. G., Kuppe, C., and Valev, V. K.,  2018.   Second-Harmonic Generation Optical Rotation Solely Attributable to Chirality in Plasmonic Metasurfaces.    ACS Nano, 12(6), 5445-5451.  Available from: https://doi.org/10.1021/acsnano.8b00601.
DOI: 10.13145/bacdive1976.20240510.9
title: Mycetohabitans rhizoxinica (Partida-Martinez et al. 2007) Estrada-de Los Santos et al. 2018

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive1977.20240510.9
title: Mycetohabitans endofungorum (Partida-Martinez et al. 2007) Estrada-de Los Santos et al. 2018

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00521
title: Dataset for "Interplay of crystal thickness and in-plane anisotropy and evolution of quasi-one-dimensional electronic character in ReSe2"

description: Data associated with paper on ARPES and computational studies of rhenium diselenide. Contains:

- Raman data used to identify number of ReSe2 layers;
- ARPES data on an associated pair of monolayer and bulk-like ReSe2 flakes with the same crystallographic orientation;
- ARPES data on a set of monolayer, bilayer and trilayer ReSe2 flakes with the same crystallographic orientation;
- Input parameters and output projected wavefunctions for modelling the band structure of monolayer ReSe2 using the plane-wave density functional theory code Quantum Espresso.
description: Micro-Raman spectroscopy. A Renishaw InVia system was used with 532 nm excitation and a x100 objective, giving a spatial resolution of better than 1 micron, adequate to select each of the 1L, 2L and 3L regions in turn.

Angle-resolved photoemission spectroscopy (ARPES). Nano-ARPES data were obtained at the ANTARES beam line of the SOLEIL Synchrotron, Paris, which is equipped with a zone plate allowing a spot size of 120 nm, an angular resolution of ∼0.2 degrees and an energy resolution of ∼10 meV.

Further details of methodology are given in the Supplementary Material of the associated publication.
description: IGOR software and macros belonging to the ANTARES beamline at the SOLEIL synchrotron, Paris, are required to process the ARPES data.
DOI: 10.13145/bacdive1978.20240510.9
title: Paraburkholderia nodosa (Chen et al. 2007) Sawana et al. 2015

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00523
title: Data supporting "Self-assembly and surface behaviour of pure and mixed zwitterionic amphiphiles in a deep eutectic solvent"

description: This dataset contains processed small-angle neutron scattering and X-ray reflectivity data in support of the named article. The folder includes data of different zwitterionic surfactants investigated in choline chloride:glycerol deep eutectic solvent.
description: Small-angle neutron scattering (SANS) measurements were performed on LOQ instrument at the STFC ISIS Pulsed Neutron and Muon Source, UK. Samples of different concentrations of N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate, N-tetracyl-N,N-dimethyl-3-ammonio-1-propanesulfonate and n-dodecyl-phosphocholine in 1:2 choline chloride:glycerol were measured in different isotopic substitutions.
description: SANS data were reduced using the open source software MantidPlot, following the standard procedures of the LOQ beamline. Corrections were made for sample transmission, instrument geometry, incident flux and scattering from an empty cell. Contribution from the solvent has been appropriately subtracted from all data files.
description: Output data consists of txt files in the standard format 1D I(q) vs. q (http://danse.chem.utk.edu/trac/wiki/NCNROutput1D_IQ), that can be used in any software available to fit SANS data.
description: A PDF file can be found in the folder with a brief description of the datasets. The folder containing the files is compressed (zip).
description: Further relevant documentation may be found in the following resources.

   Sanchez-Fernandez, A., Moody, G. L., Murfin, L. C., Arnold, T., Jackson, A. J., King, S. M., Lewis, S. E., and Edler, K. J.,  2018.   Self-assembly and surface behaviour of pure and mixed zwitterionic amphiphiles in a deep eutectic solvent.    Soft Matter, 14(26), 5525-5536.  Available from: https://doi.org/10.1039/c8sm00755a.
DOI: 10.15125/bath-00524
title: Dataset for "Zeolite Minilith: A Unique Structured Catalyst for the Methanol to Gasoline Process"

description: This dataset contains instruments, materials and analytical methods used to obtain and process data for the article. Structured microchannel H-ZSM-5 catalysts called miniliths were fabricated, characterised using TGA, XRD, EDX, N2 sorption and SEM and tested for the first time for the conversion of methanol to gasoline at 370 C, 3bar and WHSV up to 1170 h^-1. The influence of the bentonite binder was found to be minimal on the methanol to gasoline reaction. The catalytic test results obtained over the zeolite miniliths were compared to zeolite powder of equal ZSM-5 content. The pressure drop over the zeolite powder was found to be 2 orders of magnitude higher than the minilith in accordance with the literature. Reducing the catalyst powder inventory to give similar inlet pressures (3bar) as the minilith gives a higher catalyst effeciency over the minilith.
description: [1] The ZSM-5 miniliths were characterised using nitrogen sorption, SEM, TGA, EDX and XRD.  

[2] The conversion of methanol to gasoline was carried at 370 C, 3 bar and WHSV up to 1174 h^-1 over ZSM-5 miniliths and the reaction products were sampled through an online gas chromatography (Shimadzu GC 2010) equipped with a flame ionisation detector and an Equity-1 fused silica capillary column (90m × 0.53mm × 3.0µm).  Raw data containing retention times of various products and their corresponding areas and heights were obtained.      

[3] Stability tests were conducted over zeolite miniliths and zeolite powders of equal ZSM-5 weight up to time-on-stream of 140 h, flowrate of 54 mL/min and pressure of 3 bar and temperature of 370 C. Raw data containing retention times of various products and their corresponding areas and heights were obtained.
description: The raw data i.e. concentration (areas, height) collected from the GC-FID was then converted to processed data i.e. concentration (ppm) for the measured product species using a MATLAB code written by Dr Nikolay Cherkasov (University of Warwick). Data were obtained for methanol, dimethyl ether, C1-C10 aliphatics and C6-C10 aromatics.
description: Data were obtained during catalytic tests as .gcd files. They were converted to .txt using the GC-FID.
Notepad was used to read raw data .txt files. 
.txt files were processed using a MATLAB code to .xlsx files.
Microsoft Excel 2016 was used to analyse the GC-FID data, TGA, nitrogen sorption (ASAP2020 and 3Flex).
ImageJ for SEM data.
Veusz 2.0.1 for data visualisation of XRD.
Microsoft Excel 2016 was used for data visualisation of catalytic tests
DOI: 10.15125/bath-00526
title: Dataset for "Strategies for Deposition of LaFeO3 Photocathodes: Improving Photocurrent with a Polymer Template"

description: LaFeO3 (LFO) has been shown to be an active photocathode for solar water splitting on illumination of visible light, but is restricted by low surface area and relatively low photocurrents achieved. The work herein utilizes a variety of different film deposition methods for LFO photocathodes. Doctor blading of LFO powders (LFO-A), milling and exfoliation of LFO powders deposited by spray pyrolysis (LFO-B), deposition of LFO nitrate precursors by spray pyrolysis (LFO-C) and spin coating of LFO nitrates with a polymer template (Triton X-100) (LFO-D). This dataset includes characterisation of these LFO films including, XRD, XPS, photoelectrochemical measurements and electronic impedance spectroscopy measurements. Datasets are also included from those incorporated within the supplementary information.
description: X-ray diffraction patterns, and photoelectrochemical measurements for samples LFO-A, LFO-B, LFO-C and LFO-D of prepared LaFeO3 films on FTO-ABS glass slides were obtained.
description: XRD diffraction patterns were obtained from a STOE STADI P double setup, equipped with Mythen detectors, using pure Cu-Kα1 radiation (λ= 1.540562 Å) with a range of 2θ from 20 to 80°. 
PEC measurements were carried out in a three electrode PEC quartz cell with working electrode, Pt counter electrode, an Ag/AgCl reference electrode, and a 0.1 M Na2SO4 electrolyte of pH 12. A 300 W Xe lamp equipped with an AM1.5G solar simulator filter (LOT Quantum Design) was used with an 8mm-diameter masked area. The intensity was measured to be 100 mW cm-2 determined by the distance to the working electrode. An external potential (provided by Ivium CompactStat) was linearly swept from 0.2 to -1.12 VAg/AgCl at a rate of 20 mVs-1 under chopped solar illumination. Stability measurements were held at held at 0.43 VRHE for 1 h. IPCE measurements were conducted at 0.29 VRHE.
Electronic impedance spectroscopy (EIS) measurements for RC limited current calculations were carried out in 0.1 M NaSO4 with a DC of -0.3 VAgCl and AC potential frequency range 105-0.1 Hz with an amplitude of 5 mV under dark conditions. Experimental transient photocurrents were obtained under chopped illumination (1 sun) at  0.3 VAgCl with a data collection interval of 0.01 s.
Electrochemically active surface area (ECSA) measurements were carried out by conducting cyclic voltammetry (CV) between 0.2 to -0.3 VAgCl at varying scan rates between 10 and 250 mV s-1. The difference in anodic and cathodic current densities recorded at -0.03 VAgCl was plotted against scan rate. The double layer capacitance (Cdl) can be calculated by dividing the gradient by two, where Cdl is directly proportional to the ECSA.
DOI: 10.13145/bacdive1979.20240510.9
title: Paraburkholderia megapolitana (Vandamme et al. 2007) Sawana et al. 2015

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00522
title: Data set for Hybrid top-down/bottom-up fabrication of highly uniform and organized faceted AlN nanorod scaffold

description: This dataset contains scanning electron microscopy (SEM) images, transmission electron microscopy (TEM) pictures and Catodoluminescence (CL) measurements carried out on AlN nanorod. The samples were fabricated via a hybrid top-down/bottom up approach. Displacement Talbot Lithography is used to fabricate Au/Ni metal dots to act as a hard etch mask. Ultrathin AlN nanorod arrays are created thanks to a two-step dry-wet etching process with first, chlorine-based dry etching of an AlN template and second, KOH-based wet etching. AlN facet recovery is performed by Metal Organic Vapor Phase Epitaxy for various regrowth time. TEM and CL were used to assess the structural and optical quality of the AlN nanorod, respectively.
description: Secondary electron images were captured using a Hitachi S-4300 scanning electron microscope (SEM). An accelerating voltage of 5 kV was used to collect the images.
Transmission electron microscopy (TEM) images were captured using a JEOL 2100 with an accelerating voltage of 5kV. All acquisition has been performed along the [10-10] zone axis.
Cathodoluminescence hyperspectral imaging measurements were carried out at room temperature in a modified FEI Quanta 250 field emission SEM using electron energies of 15.0 keV and beam currents of approximately 7 nA. Light was collected using an NA 0.28 reflecting objective with its axis perpendicular to the electron beam and focused directly on the entrance of the spectrograph using an off-axis paraboloidal mirror. We used a 125 mm focal length spectrograph with a 600 lines/mm grating and 50 μm entrance slit, coupled to a cooled electron multiplying charge-coupled device (EMCCD) detector.
description: The nanorod investigated by TEM were mechanically removed from the substrate in an ultrasonic bath and then dispersed on a carbon grid.
DOI: 10.15125/bath-00525
title: Dataset for "Tuning the structure of the Josephson vortex lattice in Bi2Sr2CaCu2O8+δ single crystals with pancake vortices"

description: Datasets underpinning the 6 Figures for "Tuning the structure of the Josephson vortex lattice in Bi2Sr2CaCu2O8+δ single crystals with pancake vortices" in Scientific Reports. The primary data files are scanning Hall microscopy (SHM) images of pancake vortices catured at a temperature of 85K. Also included are graphs of vortex chain spacing and the estimated effective anisotropy extracted from the SHM images as a function of applied magnetic field. Simulation results for the vortex chain spacing as a function of applied magnetic field arising from the model described in the Supporting Materials are also included.
description: The primary datasets are scanning Hall microscopy (SHM). These have been captured with a modified low-temperature scanning tunnelling microscope (STM) where the tunnelling tip has been replaced by a custom-fabricated semiconductor chip. The Hall probe is patterned in the two-dimensional electron gas of a GaAs/AlGaAs heterostructure, defined by the intersection of two 800 nm wide wires situated about 5 micrometers from the Au-coated corner of a deep mesa etch that acts as an integrated STM tip. The Hall probe is mounted at an angle of about 1 degree with respect to the sample plane, with the STM tip being the closest point to the sample surface. In operation the sample is first approached towards the sensor until tunnelling is established and then retracted about 100 nm for rapid ‘flying mode’ scanning with the active Hall probe about 200 nm above the sample and a spatial resolution of about 800 nm. In this way quantitative maps of the z-component of magnetic induction can be captured non-invasively. All images shown in this manuscript have been captured at T = 85K, when the full temperature-dependent scan range of our piezotube is 22 µm × 22 µm.
description: The SHM data in the archive are raw as-captured data without any post-processing.
description: SHM image datasets are formatted as the magnetic induction in Gauss measured at each point on a 128 × 128 array of pixel positions (corresponding to the spatial location of the Hall sensor in the plane parallel to the sample). At a measurement temperature of 85K this corresponds to a scan range of 22 µm × 22 µm.
DOI: 10.13145/bacdive1980.20240510.9
title: Paraburkholderia bryophila (Vandamme et al. 2007) Sawana et al. 2015

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00527
title: Data for paper: Regulating the femtosecond excited-state lifetime of a single molecule

description: These data were collected by scanning tunnelling microscopy and concern the rate of manipulation of the chemisorbed toluene molecule on the Si(111)-7x7 surface. The details of this research are presented in the associated paper. Here we house the individual data points that are displayed in the work.
description: Full details of the methodology are available in the associated manuscript and supplementary materials.
description: Further relevant documentation may be found in the following resources.

   Rusimova, K., Purkiss, R., Howes, R., Lee, F., Crampin, S., and Sloan, P.,  2018.   Regulating the femtosecond excited-state lifetime of a single molecule.    Science, 361(6406), 1012-1016.   Available from: https://researchportal.bath.ac.uk/en/publications/regulating-the-femtosecond-excited-state-lifetime-of-a-single-mol.
DOI: 10.15125/bath-00529
title: Dataset for "Atomic dispensers for thermoplasmonic control of alkali vapor pressure in quantum optical applications"

description: This dataset contains data supporting the results presented in the paper "Atomic dispensers for thermoplasmonic control of alkali vapor pressure in quantum optical applications". It includes the data used to plot each figure, together with the raw oscilloscope data in .csv format, associated with this publication.
 
This study uses plasmonic nanoparticles as an alternative to the conventional means, such as bulk heating or laser desorption to convert light into localized thermal energy and to achieve optical depths in warm vapors, which was proven to produce far improved results. The response is over a thousand times faster than previously observed corresponding to a ~16 times increase in vapour pressure in less than 20 ms., with possible reload times much shorter than an hour. The results enable robust and compact light-matter devices, such as efficient quantum memories and photon-photon logic gates, in which strong optical nonlinearities are crucial. 

Supplementary Information of the publication contains more details on the methodology and data preparation.
description: Full details of the methodology may be found in the supplementary information of the associated paper.

.CSV files were recorded with an oscilloscope using the setups in Figures 2 and 6a of the paper.

Extinction spectra were recorded with a commercial Applied Photophysics Chirascan. All spectra were recorded over the range of 300 nm – 1100 nm with a resolution of 1 nm. 

AFM profile was obtained with a Multimode Scanning Probe Microscope (Veeco, Plainview, NY) with a Nanoscope IIIA controller in contact mode in ambient conditions.
description: Full details of how the data were processed may be found in the supplementary information of the associated paper.