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Data set for 'TiO2 photoanodes with exposed {0 1 0} facets grown by aerosol-assisted chemical vapor deposition of a titanium oxo/alkoxy cluster'
No full textThis data set gathers all the raw data that has been acquired for the preparation of the manuscript. It includes X-Ray diffraction (XRD), X-Ray Photoelectron spectroscopy (XPS), Uv-Vis, Time Resolved Microwave Conductivity (TRMC), Thermogravimetric Analysis (TGA), Raman spectroscopy, Photoelectrochemical measurements (PEC) and (Photo)electrochemical impedance spectroscopy (PEIS) measurements. Specifications of the data collection method (equipment, parameters) are explained in detail in the experimental section of the manuscript.This dataset includes raw data of characterization techniques employed. The following procedures and experimental methods have been employed (see manuscript for more information).
- X-ray diffraction (XRD) patterns were collected from (10° to 80° (2θ) Bragg-Brentano with a Bruker AXS D8 Advance using Cu Kα (0.154 nm) radiation, 0.023° (2θ) steps and a total integration time of 960 s.
- Raman spectroscopy was carried out on a Renishaw inVia system using a 532 nm diode-pumped solid-state laser (DPSS) manufactured by Cobolt. The laser beam was focused onto the sample using a 50x long distance objective.
- Thermogravimetric analysis (TGA) was performed using a Setaram Setsys Evolution 16 TGA-DTA-DSC equipment for TiO2 powders (a few mg of TiO2 was scratched from the FTO). TGA of Ti7O4(OEt)20 and Ti(OEt)4 precursors were performed in a glove box under argon atmosphere using a PerkinElmer TGA 4000 apparatus
- Time-resolved microwave conductivity measurements (TRMC): During measurements, a change in the microwave power reflected by the cavity upon excitation with a 3 ns pulse laser was monitored. For these experiments, measurements were performed using a wavelength tunable optical parametric oscillator (OPO) coupled to a diode-pumped Q-switched Nd:YAG 3-ns pulse laser at wavelengths of (350, 650 and 1200) nm.
- Ultraviolet-visible (UV-Vis) absorption spectra were collected in an Agilent Cary 100 diffuse reflectance UV-Vis spectrophotometer.
- Photoelectrochemical performance (PEC) performance of photoanodes was evaluated using a CompactStat. potentiostat (Ivium Technologies). Photocurrents were measured under simulated sunlight (AM 1.5G, 100 mWcm 2) from a filtered 300W Xenon lamp source (Lot Quantum Design) or under UV illumination (365 nm, 3.6 mWcm 2) from a ModuLight IM3412 LED light (Ivium Technologies).
-PEC impedance spectroscopy (PEIS) was carried out under simulated sunlight (AM 1.5G, 100 mW cm-2) at the light open circuit potential (OCP) of the cell at a frequency range of (105–0.1) Hz with an amplitude of 10 mV. EIS measurements at different potentials were also performed under dark conditions to obtain Mott-Schottky plots. These measurements were carried out at a fixed frequency of (500 and 1000) Hz.
- Incident photon-to-current efficiency (IPCE) measurements were calculated using the same Xe light source and a triple grating Czerny-Turner monochromator.
- Oxygen (O2) measurements were conducted using a Pyroscience FireStingO2 fibre-optic oxygen meter combined with a TROXROB10 oxygen probe, together with a TDIP temperature sensor to give automatic compensation for minor fluctuation in the PEC cell temperature.All data is included in .txt file. See data colection method for specification of software and equipment used.This data has been organised using the following method: Data acquired using the same equipment is all in the same folder. Within the text file, raw data has been labeled as TiO2_Rose_800 ( sample that was annealed at 800 degrees celsius) and TiO2_Rose_AD ( as-deposited sample). For TRMC data, each text file includes time, signal and mobility values for a specific wavelength using different photon fluxes.
Refer to manuscript for other specifications
Dataset for "Common source of light emission and nonlocal molecular manipulation on the Si(111)-7x7 surface"
No full textThis dataset contains data supporting the results presented in the paper "Common source of light emission and nonlocal molecular manipulation on the Si(111)-7x7 surface". It includes the data used to plot each figure associated with this publication, together with the raw oscilloscope data in .csv format.
The study combines the results of the two near identical experimental techniques - nonlocal atomic manipulation and light emission from a scanning tunnelling microscope - for the system of toluene molecules chemisorbed on the Si(111)-7×7 surface at room temperature. The radial dependence of molecular desorption away from the tip injection site conforms to a two-step ballistic-diffusive transport of the injected hot electrons across the surface, with a threshold bias voltage of +2.0 V. We find the same threshold voltage of +2.0 V for light emission from the bare Si(111)-7×7 surface. Comparing these results with previous published spectra we propose that both the manipulation and the light emission follow the same hot electron dynamics, only differing in the outcome of the final relaxation step which may result in either molecular manipulation, or photon emission.Full details of the methodology are available in the associated manuscript and supplementary materials
Dataset for 'Cationic surfactants as a non-covalent linker for oxidised cellulose nanofibrils and starch-based hydrogels'
Get PDFRheological properties of hydrogels composed of TEMPO-oxidised cellulose nanofibrils (OCNF)-starch in the presence of cationic surfactants were investigated in this study. The dataset includes rheology (oscillatory frequency and amplitude sweeps, viscosity), zeta-potential, starch-iodine test data of OCNF/starch hydrogels in presence of cationic surfactants, like dodecyltrimethylammonium bromide (DTAB) and cetyltrimethylammonium bromide (CTAB) surfactants.Gels were prepared by mixing various ratios of OCNF and starch (Soluble S9765, Sigma Aldrich, UK) solution (1:0.5 and 1:1 wt%) followed by vortex mixing until hydrogels were obtained. The required amount of cationic surfactants (Dodecyltrimethylammonium bromide (DTAB, purity≥98%, MW 308.34 g mol-1, Sigma-Aldrich, UK), cetyltrimethylammonium bromide (CTAB, purity 99%, MW 364.45 g mol-1, ACROS Organic, Fisher-Scientific, UK) were added to the starch solution prior to mixing with OCNF during the gel formation.
Rheological tests were performed using a stress-controlled rheometer (Discovery HR-3, TA Instruments, USA) equipped with a sandblasted plate-plate stainless steel geometry (40 mm) at 25oC. Approximately 1 mL of the gel was placed between the plates (with a plate-plate gap of 0.5 mm) and frequency, amplitude and flow sweeps were measured to determine the viscoelastic properties of the gels. Frequency sweeps were conducted, within the linear viscoelastic range, in strain control mode at 0.5% strain with an angular frequency range from 0.1 to 100 rad s-1. Amplitude sweeps were measured at an angular frequency of 1 Hz (6.28 rad s 1) covering the strain ranging from 0.01 to 50%. Finally, flow curves were measured to study the viscosity response of the sample to shearing, with a shear rate ranging from 0.01 to 100 s-1.
ζ-potential measurements were conducted using a Zeta-sizer (Malvern Zeta-sizer Nano ZSP®, UK). Dilute solution (0.1 wt%) of samples in DI water were placed in the capillary electrode cell and the ζ-potentials measured as an average of 5 measurements from 100 scans each.
Iodine stock solution (50% of Lugol’s solution) was prepared by dissolving 0.25 g of iodine (Fisher Scientific, UK) and 0.5 g of potassium iodide (Sigma-Aldrich, UK) in 150 mL of DI water under magnetic stirring. Then 30 µl of the prepared iodine solution was added to each 5mL of diluted (25 times) gel sample before measuring the absorbance using a UV/visible spectrometer (Varian Cary 50 Probe) by scanning over the wavelength range of 290 to 800 nm.The following instruments were used:
- Stress-controlled rheometer (Discovery HR-3, TA Instruments, USA);
- Zeta-sizer (Malvern Zeta-sizer Nano ZSP®, UK);
- UV/visible spectrometer (Varian Cary 50 Probe)
Dataset for: "The nanometer limits of ballistic and diffusive hot-hole mediated nonlocal molecular manipulation"
No full textThis dataset contains data supporting the results presented in the paper "The nanometer limits of ballistic and diffusive hot-hole mediated nonlocal molecular manipulation". It includes the data used to plot each figure associated with this publication.
We report an experimental investigation into the surface-specific and experimental limits of the range of STM induced nonlocal molecular manipulation. We measure the spot-size of the nonlocal manipulation of bromobenzene molecules on the Si(111)-7×7 surface at room temperature at two voltages and for a wide range of charge-injection times (number of hot charge-carriers) from 1 s up to 500 s. The results conform to a initially ballistic, 6 to 10 nm, and then hot-hole diffusive, 10to 30 nm, transport away from the localised injection site. This work gives further confirmation that nonlocal molecular manipulation by STM directly reveals the ultrafast transport properties of hot-charge carriers at surfaces.Full details of the methodology are available in the associated manuscript
Dataset for "High quality hydrogen silsesquioxane encapsulated graphene devices with edge contacts"
No full textDatasets underpinning the four figures for "High quality hydrogen silsesquioxane encapsulated graphene devices with edge contacts" in Materials Letters. The primary data files are transmission line measurements for edge contacts and Hall mobilities of devices with and without hydrogen silsesquioxane (HSQ) encapsulation. Also included are a device processing chart and atomic force microscopy (AFM) profiles. Raman data presented in the Supporting Information are also included.Detailed methods can be found in the Experimental section of the associated article.Details of the instrumentation used can be found in the Experimental section of the associated article.
Igor Binary Wave files (.ibw) may be opened with WaveMetrics Igor Pro (https://www.wavemetrics.com/); third party software such as Gwyddion (http://gwyddion.net/), IgorR (from CRAN) and igor (from PyPI) may also be used
Dataset for "Understanding the resolution limit of Displacement Talbot Lithography"
Get PDFDisplacement Talbot lithography (DTL) is a new technique for patterning large areas with sub-micron periodic features with low cost. It has application in fields which cannot justify the cost of deep-UV photolithography such as plasmonics, photonic crystals, and metamaterials and competes with techniques such as nanoimprint and laser interference lithography. It is based on the interference of coherent light through a periodically patterned photomask. However, the factors affecting the resolution limit of the technique are unknown. Through computer simulations, we show the impact of the mask parameters on the size of the features that can be achieved and describe the separate figures of merit that should be optimised for successful patterning. Both amplitude and phase masks are considered for hexagonal and square arrays of openings on the mask. For large pitches, amplitude masks are shown to give the best resolution, whereas, for small pitches, phase masks are superior due to the shorter exposure time that is required. We also show how small changes in the mask pitch can dramatically affect the resolution achievable. As a result, this study provides important information for choosing new masks for DTL for targeted applications.
This dataset is the result of a modelling but also experimental investigation of the DTL resolution for a specific resist and wavelength. The data was acquired using a Hitachi S-4300 scanning electron microscope (SEM), and a MATLAB code.Full details may be found in the associated paper.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. The statistical analysis was performed thanks to a image analysis software. The modelling has been performed thanks to a code in MATLAB
Dataset for "Bore collapse and wave run-up on a sandy beach"
No full textThis dataset comprises the primary data used in the paper "Bore collapse and wave run-up on a sandy beach". The study collected high spatial-temporal resolution LiDAR field measurements of the evolving free-surface in the surf and swash zone which enable the bore collapse detection for 166 waves. These measurements are used to investigate the link between broken wave properties at bore collapse and wave run-up.
The dataset is comprised of a two .mat files generated using MATLAB. The first file primarily consists of the surface elevation and depth data for the 161 bore collapse events. The second file contains the detected bore collapse parameters for each of the events.
The content of each file is described in the readme structure contained within each .mat file This dataset is distributed under the Creative Commons Attribution 4.0 International license.For details of the methodology used, see the "Methodology" section of the corresponding paper, DOI: 10.1016/j.csr.2019.01.009The files are in MATLAB v5.0 format and were created on 64bit Microsoft Windows
Dataset for "A mild conditions synthesis route to produce hydrosodalite from kaolinite, compatible with extrusion processing"
No full textChemical characterisation data describing the cured products formed when reacting kaolinite precursor with sodium hydroxide solution at Na:Al ratios of 0-1.5.
Version 2 includes additional data for mass spectrometry results and 29Si MAS NMR peak deconvolution.Fig 2 - Powder X-ray diffraction (PXRD) analysis was done to identify phases with a Bruker D8 Advance instrument using monochromatic CuKalpha1 L3 (λ = 1.540598 Å) X-radiation and a Vantec superspeed detector. A step size of 0.016⁰(2θ) and step duration of 0.3 seconds were used.
Fig 3 - Atterberg plastic limit measurements were taken for kaolinite over a range of sodium hydroxide solution concentrations, based on BS 1377-2:1990. From these data a best fit line was plotted to extrapolate the volume of solution required to reach plastic limit consistency for a given concentration. A correction was made to exclude the mass of the sodium hydroxide from the solids mass in the plastic limit calculations.
Fig 4 - Powder X-ray diffraction (PXRD) analysis was done to identify phases with a Bruker D8 Advance instrument using monochromatic CuKalpha1 L3 (λ = 1.540598 Å) X-radiation and a Vantec superspeed detector. A step size of 0.016⁰(2θ) and step duration of 0.3 seconds were used.
Fig 5 - Powder X-ray diffraction (PXRD) analysis was done to identify phases with a Bruker D8 Advance instrument using monochromatic CuKalpha1 L3 (λ = 1.540598 Å) X-radiation and a Vantec superspeed detector. A step size of 0.016⁰(2θ) and step duration of 0.3 seconds were used.
Fig 7 - Thermogravimetric analysis (TGA) was done to characterise thermal behaviour, using a Setaram Setsys Evolution TGA over a range of 30 to 1000 °C at a heating rate of 10 °C/minute. An air atmosphere was used, with a flow rate of 20 ml/minute. A connected mass spectrometer was used (Pfeiffer Omni) to identify whether evolved gas species contained OH, H2O, CO or CO2.
Fig 8 and Fig 9 - Magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectra were measured for 27Al and 29Si to characterise coordination states, using a Varian VNMRS in direct excitation. Standards used were 1M aq. Al(NO3)3 for 27Al and tetramethylsilane for 29Si. Spin rates used were 12 kHz for 27Al and 6 kHz for 29Si, and frequencies used were 104.199 kHz for 27Al and 79.435 MHz for 29Si. Sample holders were 4mm width for 27Al and 6mm width for 29Si.
Fig 10 - Fourier Transform Infrared Spectroscopy (FTIR) was done to characterise molecular bonding, using a Perkin-Elmer Frontier with a diamond Attenuated Total Reflectance (ATR) head. Spectra were collected over a range of 4000-600 cm-1 using a resolution of 4cm-1 and 5 scans per spectrum.Fig 2 - Phase identification was done using Bruker EVA software.
Fig 5 - Le Bail extractions and Rietveld refinements of the structure were performed using JANA 2006 and the Cheary Coelho fundamental approach for XRD profile parameters.
Fig 10 - Corrections were made for ATR and background using Perkin-Elmer Spectrum software.
Fig 11 - To understand how the Na:Al molar ratio affected the reaction of kaolinite to form a hydrosodalite, the proportion of kaolinite consumed was estimated using PXRD, TGA and 29SI MAS-NMR. For PXRD, Rietveld refinement was used as already described. For TGA, in the dTG spectrum (plotted in %mass loss / minute to normalise between samples), the peak attributed to the dehydroxylation of kaolinite was integrated. This peak area was then expressed as an area fraction of the equivalent peak in the dTG spectrum for the starting kaolinite precursor. The area fraction was then assumed as equivalent to proportion of kaolinite remaining in the sample. For 29Si MAS-NMR, peaks corresponding to kaolinite and hydrosodalite were integrated (deconvoluted as required when overlapping). The area fraction of the kaolinite peak from the total peak area in a given sample’s spectrum was assumed as equivalent to phase proportion, since 29Si is a spin-half nucleus and does not suffer quadrupolar effects. A Lorentzian profile was used for deconvolution as it gave a better fit to the measured curves than a Gaussian profile
Analysis of coupled axial and lateral deformation of roots in soil — figure data
No full textA new model was developed based on large deflection Euler-Bernoulli elastic beam theory that can be used to study the mobilisation of root strength under various loading conditions (direct shear and pull-out). This data archive contains all data required to replot any graph in the associated manuscript.Please see the methodology in the associated paper.This data archive is linked to the following publication: ‘Analysis of coupled axial and lateral deformation of roots in soil’ by G.J. Meijer, D. Muir Wood, J.A. Knappett, A.G. Bengough and T. Liang, as published in the International Journal for Analytical and Numerical Methods in Geomechanics (https://doi.org/10.1002/nag.2880). This data achieve contains all data required to replot any graph in this manuscript (Figures 8-18 and 20-22). Note that this paper is covered by a CC-BY license, see https://creativecommons.org/licenses/by/4.0
Code for "Harnessing fluctuations to discover dissipative evolution equations"
Get PDFThis dataset contains the source codes for for the paper "Harnessing fluctuations to discover dissipative evolution equations". The code computes the macroscopic evolution operator associated with many-particle systems (hydrodynamic limit) from particle simulations. The method is based on fluctuation-dissipation theory and is described in the paper. A test case considered is the zero-range process.The zip file contains the code and a README fil
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