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filtered: 215
Search results for: MATERIAL AND ENERGY FLOW ANALYSIS
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The reductivity of the transition metals - calculations
Open Research DataThe dataset includes the reduction enthalpy and Gibbs energy simulated for Co, Cu, Fe, La, Mo, Ni, Sr, Ti, and W from oxide form into metallic form in hydrogen. Simulations were performed using HSC Chemistry software.
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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AFM and SSRM investiagtion of carbon nanowalls properties
Open Research DataStructures with limited dimensionality are of great interest in modern nanotechnology. The properties of these objects are used, among others, for the construction of modern displays or as a base for quantum computers. Carbon nanowalls, which are the subject of the imaging results contained in this collection, are also considered interesting building...
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SESNED: Dataset for Event-Based Non-Intrusive Load Monitoring Research
Open Research DataSescom NILM Energy Dataset (SESNED ) description
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Equilibrium constants (Keq) of reforming reactions
Open Research DataThe equilibrium constants (K) of reforming reactions in SOFC were supplied with this dataset
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SEM (Scanning Electron Microscopy) and SEM-EDS (Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy) images of nickel (Ni) foam as received, after photocatalysis and after oxidation at 500_C.
Open Research DataThis dataset contains SEM (Scanning Electron Microscopy) and SEM-EDS (Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy) images of Ni (nickel) foam as received from the supplier, after photocatalytic treatment and after oxidation at 500C. The detailed equipment and measurement data was described in "readme SEM.txt" file
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Flow cytometry analysis of DNA DSBs in telomerase positive and negative cell lines after treatment with TXT2 and TXT4
Open Research DataFlow cytometry analysis of DNA DSBs in telomerase positive (A549, H460) and negative (NHBE2594, U2OS) cell lines after treatment with equitoxic concentrations of TXT2 and TXT4. MTX and DMSO were used as positive and negative controls, respectively.
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The chemical and mechanical pressure influence on chromium luminescence
Open Research DataIn this study, we aim to compare the changes in the luminescence properties of Ga2O3:Cr3+ modified by Al or Sc ion substitution (chemical pressure) and hydrostatic pressure. We find the same behavior for Ga2–xAlxO3:Cr3+ and different behavior for Ga2–xScxO3:Cr3+ in terms of the optical properties under chemical and mechanical pressure. We consider Al...
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under biogas reforming conditions
Open Research DataThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the biogas mixture reforming were supplied with this dataset
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The topography of strontium–borate glasses and glass-ceramics containing bismuth and vanadium oxides measured with SEM method
Open Research DataThe topography of strontium–borate glasses and glass-ceramics containing bismuth and vanadium oxides was measured by SEM.
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Ex-situ XRD (X-ray Diffraction) results for electrodes under different charge/discharge states
Open Research DataEx-situ XRD was employed to analyze the energy storage mechanism of CPMD in ZICs system. The ZICs were firstly charged to 1.8 V from the open circuit voltage (at around 1.3 V), then discharge to 1.0 V and 0.2 V, and finally recharged to 1.0 V and 1.8 V. Sample abbreviations (CPMD) are in agreement with the markings used in the linked publication.
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system for CO2/H2/H2O methanation
Open Research DataThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of 1:2 CO:H2 syngas mixtures were supplied with this dataset
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Visualization of the surface of the Nafion membrane
Open Research DataFuel cells use the chemical energy of hydrogen or other fuels to produce electricity. If the fuel is hydrogen, the only products are electricity, water and heat. Fuel cells are unique in the variety of their potential applications, they can use a wide variety of fuels. They are also highly scalable devices that can power both cars and mobile phones....
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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under various compositions syngas methanation
Open Research DataThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of various syngas mixtures (different CO/H2 ratio) were supplied with this dataset
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Euilibrium composition of CH4-CO2-CO-H2-H2O system for CO2/H2/H2O methanation
Open Research DataThe equilibrium compositions of CH4, CO2, CO, H2, H2O without C under the methanation reaction of 1:2 CO:H2 syngas mixtures were supplied with this dataset
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Analytical and reliability data from the real-time simulator biogas plant
Open Research DataThe dataset represents the results of biogas plant simulation. The described plant is an agricultural biogas system, which can produce electrical energy with power estimated up to 1070 kW and heat energy that can reach 1200 kW simultaneously.
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A Fortran-95 algorithm to solve the three-dimensional Higgs boson equation in the de Sitter space-time
Open Research DataA numerically efficient finite-difference technique for the solution of a fractional extension of the Higgs boson equation in the de Sitter space-time is designed. The model under investigation is a multidimensional equation with Riesz fractional derivatives of orders in (0,1)U(1,2], which considers a generalized potential and a time-dependent diffusion...
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Enhancement of self-trapped excitons and near-infrared emission in Bi3+/Er3+ co-doped Cs2Ag0.4Na0.6InCl6 double perovskite
Open Research DataErbium (Er) complexes are used as optical gain materials for signal generation in the telecom C-band at 1540 nm, but they need a sensitizer to enhance absorption. Na+ substitution for Ag+ and Bi3+ doping at the In3+ site is a possible strategy to enhance the broadband emission of Cs2AgInCl6, which could be used as a sensitizer for energy transfer to...
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under various compositions syngas methanation with 10% water vapour introduced
Open Research DataThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of various syngas mixtures (different CO/H2 ratio) were supplied with this dataset
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under various compositions syngas methanation with 30vol.% water vapour introduced
Open Research DataThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of various syngas mixtures (different CO/H2 ratio) were supplied with this dataset
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Numerical optimization of planar antenna structures using trust-region algorithm with adaptively adjusted finite differences
Open Research DataThe dataset contains initial designs and optimization results for three planar structures that include quasi-patch antenna for WLAN applications, compact spline-parameterized monopole dedicated for ultra-wideband applications, as well as rectifier for energy harvesting with enhanced bandwidth. The numerical results for the first two structures are also...
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under various compositions syngas methanation with 20vol.% water vapour introduced
Open Research DataThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of various syngas mixtures (different CO/H2 ratio) were supplied with this dataset
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Net electricity production by fuel (2006-2030)
Open Research DataThis dataset presents the current structure of electricity sources and a forecast of the share of individual fuels in electricity production in Poland until 2030. First of all, it should be noted the constantly growing supply of electricity. It is related to the continuous economic development, increasing consumption both by enterprises and households.
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Sorption of ammonia nitrogen and phosphate phosphorous by straw and wood-derived biochars
Open Research DataThis dataset comprises the results of NH4-N and PO4-P sorption kinetics using straw and wood biochars that were pyrolyzed at 450 degrees Celsius. The adsorption capacity (mg/g) and equilibrium concentration (mg/L) are calculated.
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Born-Oppenheimer potential energy curves of the NaK molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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XPS data of deuterium and hydrogen grown boron-doped diamond
Open Research DataThe high-resolution C1s X-ray absorption spectra of BDD@H and BDD@D samples were measured using the facilities of the HE-SGM beamline (HE-SGM) at the BESSY II synchrotron radiation source of Helmholtz–Zentrum Berlin (HZB).[90] The measurements were carried out under ultra-high vacuum conditions: P ≈ 2×10−9 Torr at T = 300 K. The NEXAFS spectra were...
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Scanning Electrone Microscope images of biochar produced from straw and wood chips
Open Research DataThis dataset contains scanning electron microscope images of two types of biochars derived from waste plant biomass: straw and wood chips. Imaging was performed using a scanning electron microscope, FEI Quanta FEG250. with a SE-ETD detector (secondary electron – Everhart-Thornley detector), using 20 kV accelerating voltage.
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Fruit Pomace as a Component Shaping the Content of Bioactive Compounds and Nutritional, Health-Promoting (Anti-Diabetic and Antioxidant) of Shortcrust Pastries Sweetened with Sucrose and Erythritol
Open Research DataIn this study, an attempt was made to develop shortcrust pastries containing different amounts of chokeberry, apple and blackcurrant pomace (0%, 10%, 30%, 50%), modulating their degree of sweetness via the application of sucrose or erythritol. The obtained products were assessed for their nutritional value (energy value, protein, fats, dietary fibre,...
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research DataThis dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...
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Dual role of oxygen-related defects in the luminescence kinetics of AlNMn2+
Open Research DataThis dataset presents the impact of temperature and pressure on AlN:Mn2+ luminescence kinetics. Unusual behavior of Mn2+ optical properties during UV excitation is observed, where a strong afterglow luminescence of Mn2+ occurs even at low temperatures. When the temperature increases, the contribution of the afterglow luminescence is further enhanced,...
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Determining the optimal filling of the surface with a linker with Universal Force Field and Reax Force Field
Open Research DataThe DataSet contains the atomic slabs of diamond surfaces with ATP molecules in water. The calculated data includes different sized surfaces from 90 Angstrom^2 to 691 Angstrom^2. Structures were relaxed using the Reax Force Field method with the Limited Memory Broyden–Fletcher–Goldfarb–Shanno algorithm. Structures were calculated with a convergence...
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Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Open Research DataThe dataset includes relativistic continuum electron wave functions (continuum orbitals, continuum spinors) for elastic scattering of electrons from Argon (Ar), Krypton (Kr), Xenon (Xe), Radon (Rn) and Oganesson (Og) atoms, calculated using the Multiconfiguration Dirac-Hartree-Fock method (MCDHF), at very low electron energies (0.0001 - 0.001 eV). Only...
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Reflectance Measurements and iCone Calorimeter Burning Results of Charcoals Derived from Lake Żabińskie (North-Eastern Poland)
Open Research DataThe dataset presents the results of litter burning experiments using an iCone calorimeter to assess the flammability of the major tree species in the Lake Żabińskie catchment (NE Poland) and links this to the heat release during burning to understand the influence of fire and its effects on ecosystems. Samples of litter from Betula pendula, Pinus sylvestris,...
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Adiabatic potential energy curves of the KRb molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states have been calculated for the KRb molecule. Presented APECs correlate with 11 atomic asymptotes, starting from ground K(4s)+Rb(5s) atomic limit and ending on double-excited K(4p)+Rb(5p) atomic limit. All results of the presented...
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Simulations of wave propagation and attenuation in fields of colliding ice floes
Open Research DataThis dataset contains results of numerical smulations of sea ice-wave interactions, corresponding to laboratory experiments conducted at the Large Ice Model Basin (LIMB) at the Hamburg Ship Model Basin (HSVA) as part of the LS-WICE ("Loads on Structure and Waves in Ice"; https://zenodo.org/record/1067170#.XrLt_dhpxhE) project. THe simulations were conducted...
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Countries with the highest and the lowest electricity consumption per capita in 1998, kWh / c
Open Research DataFor several years, domestic electricity consumption has been growing (the average annual growth rate of electricity consumption for 2005-2010 is 2.75%). The increase in demand for electricity is related to the continuous development of the Polish economy, the enrichment of society and the growing, year by year, industrial production. It should be noted...
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Adiabatic potential energy curves of the 3, 4 and 5^1Σ^+ excited states of LiCs molecule
Open Research DataAdiabatic potential energy curves of the 3, 4, and 5^1Σ^+ excited states have been calculated for the LiCs molecule. The results of three excited states of the symmetry Σ^+ have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons with atomic...