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- Data for: Rational design 2D/2D BiOCl/H+Ti2NbO7- heterojunctions for enhanced photocatalytic degradation activityThe detailed research data of the submitted manuscript.
- Data for: Investigation on the mechanism of surface structure formation during laser remelting with modulated laser power on tool steel H11This zip-file contains supplemental material regarding high speed videos and results from FEM modelling. Further instructions can be found in the readme file and in the corresponding protocols.
- Data for: Method to correct ambient pressure XPS for the distortion caused by the gasCross Section for N2 gas published as figure 2 in Sven Tougaard and Mark Greiner, "Method to correct ambient pressure XPS for the distortion caused by the gas" Applied Surface Science. (2020) First column: energy loss T in eV Second column: the cross section K(T) in the form: IMFP*K(T) in units (1/eV) where IMFP is the inelastic mean free path and K(T)dT is the probability for the electron to lose energy in the interval T to T+ dT per unit path length travelled in the gas. It can be used with the QUASES software to correct XPS taken in a N2 gas for the distortions caused by the gas. IMFP*K(T) is the form used as input in the software.
- Data for: Oleic acid addition for enhancing the wet ball milling preparation of zirconium hydride (ZrH2) microparticles and the inhibition of surface oxidationthe origin data for ultrafine ZrH2 preparation
- Program code for the calculation of the cantilever sensitivities and correspondent phase shift of the piezoresponse force microscopy signalThe developed theoretical model for the cantilever sensitivity is constructed in Wolfram Mathematica interactive code allowing to estimate bending, buckling and twisting sensitivities of the cantilevers with given parameters, and calculate the critical point of the laser spot position on the cantilever eliminating the buckling motion. The other supplemented program code can be used to evaluate the PFM phase shift from the reported vectorial model.
- Data for: Polyaniline nanowire arrays aligned in hydrogel polymer electrolyte for high performance flexible supercapacitorsMorphological and structural characterizations and electrochemical performance of polyaniline.
- Data for: Prediction of Corrosion Inhibition Efficiency of Pyridines and Quinolines on an Iron Surface using Machine Learning-Powered Quantitative Structure-Property RelationshipsCalculated values of QM parameters: Dipole Moment, Polarizability, HOMO, LUMO, Ionisation Potential, Electron Affinity, Electronegativity, Hardness, Softness, Electrophilicity, Electron Donor Capacity, Electron Acceptor Capacity, Number of Electrons Transferred, N Atomic Charge, Adsorption Energy (Parallel, Head-On), log P, Van der Waals Surface Area, Solvent Accessible Surface Area and Van der Waals Volume.
- Data for: Spin-assisted interfacial polymerization strategy for graphene oxide-polyamide composite nanofiltration membrane with high performanceThe performance of GO-PA composite membrane for salts rejection.
- Data for: Interface structures of inclined ZnO thin film on (011)-MgO substrate with bulk-like optical propertiessemiconductor films and interfaces
- Data for: Graphene and graphene oxide as adsorbents for cadmium and lead heavy metals: a theoretical investigationIn the current study, we use periodic DFT and Gaussian type function basis sets to study the adsorption of two heavy metals that cause water pollution, namely: Cd and Pb onto graphene monolayers.
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