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Dataset for "Systematic approaches towards template-free synthesis of EMT-type zeolites"
This dataset contains powder X-ray diffraction data, scanning electron microscopy (SEM) images and solid state nuclear magnetic resonance (NMR) spectroscopy data (29-Si, 27-Al and 23-Na nuclei), used in the article 'Systematic approaches towards template-free synthesis of EMT-type zeolites'. Herein, research is performed to attempt to synthesise EMT-type zeolites without organic templates, and the influence of the crystallisation process on the amount of organic template is probed.
The powder X-ray diffraction data were used to index and identify the structure of the relevant zeolite samples. The SEM images were used to characterise the morphology and size of the crystals/particles produced using the different synthesis batch compositions used in the article. The NMR data of the 29-Si nuclei was used to determine the Si/Al ratio of the relevant samples, and the 27-Al and 23-Na nuclei were used to determine the different environments of these two nuclei in the different samples produced.Powder X-ray diffraction data were collected using the Bruker D8-Advance X-ray powder diffractometer at the CCAF (Chemical Characterisation and Analysis Facility) at the University of Bath, using a Cu K(alpha) (1.5418 A) radiation source. Unit cell parameters were calculated using the program UnitCell by Holland and Redfern.
Scanning electron microscope images were taken using the JEOL SEM6480LV microscope at the MAS (Microscopy Analysis Suite) at the University of Bath. Magic-angle solid state nuclear magnetic resonance spectroscopy (on 29-Si, 27-Al and 23-Na nuclei) were performed at the previously EPSRC-sponsored NMR service at Durham University. This was using a Varian VNMRS 400 spectrometer.Within the relevant article, a parameter called the "omega value" is defined. This is used to qualitatively compare the crystallinity of the zeolite phases produced using a quick and simplistic method.
To begin with, the first three Bragg peaks of the EMT frameworks were deconvoluted - these being the [100], [002] and [101] peaks. Upon deconvolution, the peaks were fitted to Gaussian curves, and the peak area consequently calculated. Next, the area of each Bragg peak was divided by the area of the equivalent peak in the zeolite sample prepared using the standard procedure, giving a peak area ratio. For each sample, an average of the ratio for each of the three peaks was taken, and dubbed the "omega value". As the standard procedure sample was compared to itself, it was reported as having an "omega value" of "1.0".
An explanation of this calculation is also contained within the article
Data set for: Mo-doped TiO2 photoanodes using [Ti4Mo2O8(OEt)10]2 bimetallic oxo cages as a single source precursor
The data provided in this data set includes all the raw data collected during the characterization of Mo:TiO2 films: raw data of X-Ray photoelectron spectroscopy (XPS), Electrochemically active surface area (ECSA), X-Ray Diffraction, Raman spectroscopy, Electron Paramagnetic Resonance (EPR), UV-Vis spectroscopy, Photocurrent–Potential curves (J-V), Photocurrent–Time (J-t), Nyquist plots, IPCE (Incident photon-to-current efficiency) and Faradaic efficiency.See document attached for specific details of the data collection method.The data, with the exception of the EPR data, are presented as tab-separated value (TSV) files. The convention used for the headings of the columns is Mo:TiO2-XXX where XXX is the annealing temperature employed during the preparation of the samples (as described in the experimental section of the manuscript).
The detailed convention method used for each technique, with the corresponding units, is as follows:
- X-Ray diffraction: x_Mo-TiO2-XXX (x axis, Units: 2theta), y_Mo:TiO2-XXX (y axis, Units: Intensity/arbitrary units)
- Raman spectroscopy: Mo:TiO2-XXX_W (x axis, Units: Raman Shift/cm^-1), Mo:TiO2-XXX-I (y axis, Units: Intensity/arbitrary units)
- XPS_single scan: Mo:TiO2-XXX_Y_BE where Y is the corresponding element analysed (i.e. Ti, O or Mo) (x axis, Units: Binding Energy/eV), Mo:TiO2-XXX_Y_I (y axis, Units: Intensity/arbitrary units). In this set of data there are additional columns belonging to the deconvoluted peaks of each element studied, labelled as Mo:TiO2-XXX-Y-P1
- XPS Survey Analysis: Mo:TiO2-XXX_BE (x axis, Units: Binding Energy/eV), Mo:TiO2-XXX-Survey (y axis, Units: Intensity/arbitrary units)
- EPR: There is one file per sample studied. These files contain tables with fixed-width fields, and are therefore best viewed as plain text with a fixed-width typeface.
- UV-Vis: eV (x axis, Units: Energy/eV) , Mo:TiO2-XXX_KM (y axis, Units: F(R)E^1/2)
- J-V curves: E_Mo-TiO2-XXX (x axis, Units: E vs RHE), J_Mo:TiO2_XXX (y axis, Units: Photocurrent density/mA cm^-2)
- J-Time curves: Time (x axis, Units: Time/seconds), J_Mo:TiO2-XXX (y axis, Units: Photocurrent density/mA cm^-2)
- Nyquist plots: Mo:TiO2-XXX_ R (x axis, Units: Real part/ohms), Mo:TiO2-XXX-I (y axis, Units: Imaginary part/ohms
Dataset for "Single-mode solarization-free hollow-core fiber for ultraviolet pulse delivery"
The dataset includes all raw data and files to regenerate all figures in the paper, where we report novel anti-resonant silica hollow-core fibers (AR-HCFs) for solarization-free ultraviolet (UV) pulse transmission. We present a single fiber that guides over a part of the UV-C and the whole of the UV-A spectral regions and a second AR-HCF used for delivery of 17 nanosecond laser pulses at 266 nm at 30 kHz repetition rate. By direct comparison we demonstrate that the single-mode AR-HCF significantly outperforms commercially-available high-OH and solarization-resistant silica multimode fibers for pulsed light delivery in this spectral range. MATLAB scripts are also found which filter the straylight background in the raw data measured by UV spectrometer and generate the all attenuation curves in the paper.In the cutback measurement, the fiber is rewound in loops in 1 m diameter. Ando AQ6315A and Ocean spectrometer USB4000 are used to measure the transmitted power before and after cut at visible and UV wavelengths respectively.
The measurement of 266 nm laser transmitted through hollow-core fiber is by using power meter to directly measure the laser power at the output of fiber. Recording the reading usually takes a few seconds and the average of minimum and maximum power during this period of time is recognized as the transmitted power.
The fluorescence is measured by using a short piece of multimode (approx. 15cm) fiber to sample light into Ocean spectrometer.MATLAB code is to process the raw data measured by Ocean spectrometer. The main purpose of code is to remove the significant background in the spectra due to the straylight. The measured spectral intensities measured before and after cut are input file to be read by MATLAB. Integration time and fiber lengths are needed to generate the corresponding attenuation curves. In the operation, the UV bandedge are required to manually identify on the screen by hand. By clicking the cursor, the X position will be automatically recorded and the local wavelength be recognized as the edge of band. The clicking point should not be at the sharp transitions of band but offset
Dataset for "Circular dichroism in higher-order diffraction beams from chiral quasi-planar nanostructures"
This dataset contains both experimental and numerical data relating to figures presented in the paper, "Circular dichroism in higher-order diffraction beams from chiral quasi-planar nanostructures". The experimental data contain measurements obtained from atomic force microscopy (AFM) and the spectra used to plot far-field circular dichroism (CD) diffraction patterns. The numerical data contain simulated spectra used to plot a corresponding set of far-field CD diffraction patterns, and electric near-field data corresponding to maximum and minimum CD responses in the far-field.Sample fabrication:
10 mm x 10 mm x 525 µm single side polished Si(p-doped)-SiO2(300 nm) samples are sonicated in successive baths of acetone and IPA (Isopropyl alcohol) for 10mins, blow dried with compressed N2 and dehydrated on a hotplate (200°C, 20mins). PMMA (Polymethyl-methacrylate) A4 950k positive-tone photoresist is spin-coated (5,000 rpm, 45s) and baked (180°C, 2 mins), resulting in a final thickness of ~150 nm. 80 kV electron beam lithography (Nanobeam, nB-1) is used for the high-resolution patterning, with exposure conditions: area dose ~10 Cm-2, operating current 5 nAs-1 and main-field/sub-field apertures of 50/6 µm. Resist development is carried out in a 1:3 solution of MIBK (Methyl-isobutyl-ketone): IPA for 10 s. Deposition of Cr/Au (5/30 nm) is performed using a thermal evaporator at a base pressure ~1x10-6 mbar, at an evaporation rate ~0.1 nm s-1. Resist lift-off is carried out in NMP (N-Methyl-2-pyrrolidone) at an elevated temperature of 60°C for 4 hours, followed by fresh NMP sonication, acetone and IPA rinse. For nanoscale surface quality inspection, a Carl Zeiss Scanning Electron Microscope (SEM) operating at 3 keV is used.
Sample characterisation :
AFM experiments were carried out using a Multimode Scanning Probe Microscope (Veeco, Plainview, NY) with a Nanoscope IIIA controller. Images were obtained in contact mode under ambient conditions. A Pointprobe-Plus® Silicon-SPM-Sensor AFM probe (PPP, NanosensorsTM, Neuchâtel, Switzerland) with a force constant of 0.039 N/m was used for imaging.
The additional SEM shown in Figure 1 (c) was taken with the JEOL SEM6480LV SEM operating in the backscattering mode at 10keV.
Experimental setup:
The experimental setup consisted of a Fianium SC400-2 2 W laser source with a 1064 nm output wavelength and 20 MHz repetition rate and a 5 ps pulse spliced to an in-house fabricated supercontinuum fibre, described in ref.[56] providing a spectrum between 450-1050 nm. We used a short-pass filter to only allow light in the spectral region between 450 – 750 nm. We used two linear Glan-Laser polarizers to control the power output and a remotely controlled quarter wave plate to selectively produce LCP and RCP light. The sample was mounted on an alignment disk, which in turn was mounted on an in-house designed adapter placed in the centre of an optical breadboard. The breadboard was mounted on a remotely controlled rotation stage. The diffracted light from the sample was collected via a 400 µm diameter multimode fibre mounted on the edge of the breadboard at a distance of 25 cm and measured with an Ocean Optics QE Pro spectrometer. The automated setup used a step size of 0.5° and the spectrometer used an integration time of 250 ms and was averaged over 8 scans.
Simulations:
The optical near-field and the intensity of the diffracted beams have been computed numerically using the rigorous coupled-wave analysis (RCWA) method, implemented in Synopsis’ RSoft DiffractMOD, a commercially available software. In this method, both the distribution of the dielectric constant and electromagnetic field are decomposed in Fourier series, the corresponding Fourier coefficients being computed using the boundary conditions at the top and bottom of the structure. These coefficients are subsequently used to calculate the optical near-field and the intensities of the diffracted beams. The frequency dispersion of the permittivity of Au, Cr, and SiO2 has been fully incorporated in our simulations. Moreover, we used N=20 harmonics for each transverse dimension, which amounts to a total of (2N+1)^2=1681 harmonics
Data supporting: Counterion binding alters surfactant self-assembly in deep eutectic solvents
This dataset contains processed data in support of the named article. The folder includes small-angle neutron scattering data of different counterion substituted dodecylsulfate surfactants in choline chloride-based deep eutectic solvents.Small-angle neutron scattering (SANS) measurements were performed on SANS2d and Larmor instruments at the STFC ISIS Pulsed Neutron and Muon Source, UK. Samples of different concentrations of counterion-exchanged dodecylsulfates (lithium, caesium, magnesium, ethylmethylimidazolium, butylmethylimidazolium, cholinium) in 1:2 choline chloride:urea or choline chloride:glycerol were measured in different isotopic substitutions at 50 ˚C.SANS data were reduced using the open source software MantidPlot, following the standard procedures of the beamline. Corrections were made for sample transmission, instrument geometry, incident flux and scattering from an empty cell.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.A PDF file can be found in the folder with a brief description of the datasets
Dataset for 'Enhanced Ceria Nanoflakes using Graphene Oxide as a Sacrificial Template for CO Oxidation and Dry Reforming of Methane'
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.Data collection is outlined in the related manuscript
Dataset for "Second Harmonic Generation Optical Rotation Solely Attributable to Chirality in Plasmonic Metasurfaces"
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.Details of data collection methods can be found in the associated paper - see methodology link belowCZI 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.htm
Dataset for "Tuning the structure of the Josephson vortex lattice in Bi2Sr2CaCu2O8+δ single crystals with pancake vortices"
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.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.The SHM data in the archive are raw as-captured data without any post-processing.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
Dataset for 'Electricity generation from moss with light-driven microbial fuel cells'
This dataset includes the raw data collected for the Figures 2, 3, 4, 5, and 8 within the research paper entitled 'Electricity generation from moss with light-driven microbial fuel cells'. This dataset includes X-ray diffraction, linear sweep voltammetry, current vs. time, cyclic voltammetry, current vs. power density, current vs. polarization and electrochemical impedance spectroscopy measurements.Full details of the methodology may be found in the 'Experimental' section of the associated manuscript
Data sets for article entitled "Structure of semiconducting versus fast-ion conducting glasses in the Ag-Ge-Se system"
Data sets used to prepare Figures 2, 4 – 13 and 15 in the article entitled “Structure of semiconducting versus fast-ion conducting glasses in the Ag-Ge-Se system” that will appear in Royal Society Open Science. The files are labelled according to the figure numbers. The data sets were created using the methodology described in the manuscript. Each of the plots was created using Origin software (http://www.originlab.com/). The data set corresponding to a plotted curve within an Origin file can be identified by clicking on that curve. The units for each axis are given on the plots.
The data sets correspond to measurements made on glassy samples along the Agx(Ge0.25Se0.75)(1-x) tie line for x in the range from 0 to 25. Figure 2 gives the mass density, figure 4 gives the glass transition temperature, figures 5 – 6 give measured neutron and x-ray diffraction data sets, figures 7 – 13 show additional neutron diffraction data sets and an analysis of those data sets, and figure 15 shows the results for a model on the composition dependence of the coordination number for Se-Se homopolar bonds.The data sets were collected using the methods described in the submitted paper.The data sets were analysed using the methods described in the submitted paper.Figures 2, 4-13 and 15 were prepared using Origin (http://www.originlab.com/). The data set corresponding to a plotted curve within an Origin file can be identified by clicking on that curve