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Search results for: hydrogen-like atom
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Hydrogen bonding part sigma profile of deep eutectic solvents and pure components
Open Research DataThe set includes raw data of hydrogen bonding part sigma profiles of deep eutectic solvents and pure components generated by the ADF COSMO-RS software (SCM, Netherlands).
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Data on hydrogen migration in cation-induced dissociation of furan molecules
Open Research DataThe data include furan luminescence spectra obtained in collisions with H3+ and C+ cations and theoretical spectra of OH and CH radicals published in [1].
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The electrical conductivity of pristine, La-, and Nb-doped SFM measured in air and hydrogen atmospheres
Open Research DataThis dataset consists of an Excel sheet with the result of DC4W method of electrical measurements. The measurements were conducted on pristine strontium ferrite molubdate as well as ones doped with La and Nb. Additionally two samples co-doped with La and Ni/Co were analyzed. Pellets were prepared by high temperature sintering at 1400 deg. C, then cut...
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The hydrogen evolution reaction (HER) performance of some FTO/MoS2/SnO2 electrodes
Open Research DataTo demonstrate the electrochemical performance of the FTO/MoS2/SnO2 for HER (hydrogen evolution reaction), the LSV (linear sweep voltammetry) was performed. The polarization curves of the obtained composite were measured in 1 M H2SO4 at room temperature with a scan rate 10 mV/s. For comparison, the LSV for the FTO, pure MoS2 and Pt plate electrode were...
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SEM images of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me=Co, Fe, Ni) powder materials after reduction at 1000 deg.C in hydrogen
Open Research DataThe dataset presents SEM images of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me=Co, Fe, Ni) powder materials after reduction at 1000 deg.C in hydrogen. The powders were synthesized via the Pechini method. The reduction was performed in order to force the exsolution process of metallic nanoparticles.
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SEM images of (La0.3Sr0.6Ce0.1)0.9FexTi(1-x)O3-δ (x=0.1, 0.2 and 0.3) materials after reduction at 900 deg.C in hydrogen
Open Research DataThe dataset presents SEM images of (La0.3Sr0.6Ce0.1)0.9FexTi(1-x)O3-δ (x=0.1, 0.2 and 0.3) powder materials synthesized via the Pechini method after reduction in hydrogen at 900C for 10h.
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SEM images of (La0.3Sr0.6Ce0.1)0.9(Me1Me2Ti)O3-δ (Me1,Me2=Co, Fe, Ni) powder materials after reduction at 1000 deg.C in hydrogen
Open Research DataThe dataset presents SEM images of (La0.3Sr0.6Ce0.1)0.9(Me1Me2Ti)O3-δ (Me1,Me2=Co, Fe, Ni) powder materials after reduction at 1000 deg.C in hydrogen. The powders were synthesized via the Pechini method. The reduction was performed to force the exsolution process of bimetallic nanoparticles.
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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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The XRD diffraction patterns of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials after reduction at 900 deg.C in hydrogen
Open Research DataThe (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials were synthesized via the solid state reaction method and examined as a potential anode material. First, the mixed oxide reagents were pressed into pellets and calcined at 1200 °C for 12 hours to decompose most of the organic compounds. The resulting calcined pellet was ground...
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The XRD diffraction patterns of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials after reduction at 1000 deg.C in hydrogen
Open Research DataThe (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials were synthesized via the solid state reaction method and examined as a potential anode material. First, the mixed oxide reagents were pressed into pellets and calcined at 1200 °C for 12 hours to decompose most of the organic compounds. The resulting calcined pellet was ground...
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The XRD diffraction patterns of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials after reduction at 1100 deg.C in hydrogen
Open Research DataThe (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials were synthesized via the solid state reaction method and examined as a potential anode material. First, the mixed oxide reagents were pressed into pellets and calcined at 1200 °C for 12 hours to decompose most of the organic compounds. The resulting calcined pellet was ground...
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The XRD diffraction patterns of (La0.3Sr0.6Ce0.1)0.9FexTi(1-x)O3-δ (x=0.1, 0.2 and 0.3) materials after reduction at 900 deg.C in hydrogen
Open Research DataThe (La0.3Sr0.6Ce0.1)0.9FexTi(1-x)O3-δ (x=0.1, 0.2 and 0.3) materials were synthesized via the Pechini method. First, the reagents in the form of nitrates were weighed and dissolved in DI water. In another beaker, a stoichiometric amount of titanium (IV) butoxide (Ti(OBu)4) was mixed together with reagent-grade ethylene glycol (EG), and citric acid...
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Raman data of deuterium and hydrogen grown boron-doped diamond
Open Research DataRaman spectra were recorded at room temperature using a micro-Raman spectrometer (Invia, Renishaw) equipped with an edge filter with different excitation wavelengths and lasers: UV λ = 325 nm (HeCd), blue λ = 488 nm (Ar+), green λ = 514 nm (Ar+), and IR λ = 785 nm (IR diode) and 50× microscope objective. To avoid sample heating, the radiation power...
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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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Sequences of large subunit ribosomal RNA gene, partial sequence encoding D1/D2 domain of psychrotolerant pigment-producing yeast-like fungi
Open Research DataDNA fragments encoding D1/D2 domain of large subunit ribosomal RNA of psychrotolerant pigment-producing yeast-like fungi named Red, Pink and Black were PCR amplified using NL1 5’ GCATATCAATAAGCGGAGGAAAAG 3’ and NL4 5’ GGTCCGTGTTTCAAGACGG 3’ primers and sequenced by Sanger method using the same primers.
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Sequences of internal transcribed spacer 1, 5.8S ribosomal RNA gene and internal transcribed spacer 2 of psychrotolerant pigment-producing yeast-like fungi
Open Research DataDNA encoding ITS1-5.8S-ITS2 fragments of psychrotolerant pigment-producing yeast-like fungi named Red, Pink and Black were PCR amplified using ITS1 5' TCCGTAGGTGAACCTGCGG 3' and ITS4 5’ TCCTCCGCTTATTGATATGC 3’ primers and sequenced by Sanger method using the same primers.
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Pigment production and secretion by psychrotolerant yeast-like fungi at 25 °C for 2 days
Open Research DataThree strains, named Red, Pink and Black, were grown in five different media with the following compositions: 1% peptone K, 2% glucose; 2% peptone K, 2% glucose; 1% yeast extract, 2% glucose; 1% peptone K, 1% yeast extract, 2% glucose; 1% peptone K, 2% yeast extract, 2% glucose (YPD) for 2 days at 25°C with shaking 180 rpm. The cultures were then centrifuged...
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Pigment production and secretion by psychrotolerant yeast-like fungi at 15 °C for 4 days
Open Research DataThree strains, named Red, Pink and Black, were grown in five different media with the following compositions: 1% peptone K, 2% glucose; 2% peptone K, 2% glucose; 1% yeast extract, 2% glucose; 1% peptone K, 1% yeast extract, 2% glucose; 1% peptone K, 2% yeast extract, 2% glucose (YPD) for 4 days at 15°C with shaking 180 rpm. The cultures were then centrifuged...
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Pigment production and secretion by psychrotolerant yeast-like fungi at 20 °C for 2 days
Open Research DataThree strains, named Red, Pink and Black, were grown in five different media with the following compositions: 1% peptone K, 2% glucose; 2% peptone K, 2% glucose; 1% yeast extract, 2% glucose; 1% peptone K, 1% yeast extract, 2% glucose; 1% peptone K, 2% yeast extract, 2% glucose (YPD) for 2 days at 20°C with shaking 180 rpm. The cultures were then centrifuged...
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Pigment production and secretion by psychrotolerant yeast-like fungi at 15 °C for 2 days
Open Research DataThree strains, named Red, Pink and Black, were grown in five different media with the following compositions: 1% peptone K, 2% glucose; 2% peptone K, 2% glucose; 1% yeast extract, 2% glucose; 1% peptone K, 1% yeast extract, 2% glucose; 1% peptone K, 2% yeast extract, 2% glucose (YPD) for 2 days at 15°C with shaking 180 rpm. The cultures were then centrifuged...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Open Research DataThis data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy...
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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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Analysis of the properties of the YSTF ceramics materials before and after reduction
Open Research DataThe valence of titanium in reduced YSTF ceramics materials was investigated. Ceramics were reduced by annealing in a hydrogen atmosphere. For comparison unreduced sample was also measured. Valance state was measured by XPS method.
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FTIR-TiO2 heated at 400-600oC in Ar or H2
Open Research DataData contain FTIR diffuse eflectance spectra of TiO2, which was heat-treated at 400-600oC in Ar or H2. Hydrogen reduced TiO2 revealed new bands due to the adsorption of some species on the titania oxygen vacancy sites.
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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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Molecular geometry of hexachlorobenzene
Open Research DataPresented data shows molecular geometry of the ground singlet state of hexachlorobenzene and hexachlorobenzene with potassium atom in 10 angstrom distance. The geometry was obtained via MP2 and CCSD calculations using balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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The electrical properties mesurements of DIR-SOFC with Ce0.8Fe0.2O2-s functional layer
Open Research DataThe dataset includes the electrical properties mesurements of SOFC with Ce0.8Fe0.1O2-s layer. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding at 750oC. The layers were sintered at 1100oC.
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The electrical properties mesurements of DIR-SOFC with Ce0.8Co0.2O2-s functional layer
Open Research DataThe dataset includes the electrical properties mesurements of SOFC with Ce0.8Co0.1O2-s layer. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding at 750oC. The layers were sintered at 1100oC.
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The electrical properties mesurements of DIR-SOFC with Ce0.8Mn0.2O2-s functional layer
Open Research DataThe dataset includes the electrical properties mesurements of SOFC with Ce0.8Mn0.1O2-s layer. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding at 750oC. The layers were sintered at 1100oC.
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The electrical properties mesurements of DIR-SOFC with Ce0.8Ni0.2O2-s functional layer
Open Research DataThe dataset includes the electrical properties mesurements of SOFC with Ce0.8Ni0.1O2-s layer. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding at 750oC. The layers were sintered at 1100oC.
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The electrical properties mesurements of DIR-SOFC with CeO2-s functional layer
Open Research DataThe dataset includes the electrical properties mesurements of SOFC with CeO2-s layer. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding at 750oC. The layers were sintered at 1100oC.
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The electrical properties mesurements of DIR-SOFC with Ce0.8Cu0.2O2-s functional layer
Open Research DataThe dataset includes the electrical properties mesurements of SOFC with Ce0.8Cu0.1O2-s layer. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding at 750oC. The layers were sintered at 1100oC.
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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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Electrical measurement data for SOFC fueled by H2 and biogas mixture at 750 C
Open Research DataThe dataset contains the Electrical measurement data for SOFC fueled by H2 (30h) and biogas mixture at 750 C (60:40 CH4:CO2). The investigation of long-term electrical stability was performed during initial SOFC feeding with hydrogen (for 30 h) and further with biogas (for 90 h). The electrical properties of the fuel cell were measured using the HAMEG...
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The electrical properties mesurements of SOFC with Ce0.9Cu0.1O2-s functional layer
Open Research DataThe dataset includes the electrical properties mesurements of SOFC with Ce0.9Cu0.1O2-s layer. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding at 750oC. The layers were sintered at 1100oC.
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The electrical properties mesurements of SOFC with Ce0.9Co0.1O2-s functional layer
Open Research DataThe dataset includes the electrical properties mesurements of SOFC with Ce0.9Co0.1O2-s layer. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding at 750oC. The layers were sintered at 1100oC.
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The electrical properties mesurements of SOFC with Ce0.8Co0.1Cu0.1O2-s functional layer
Open Research DataThe dataset includes the electrical properties mesurements of SOFC with Ce0.8Co0.1Cu0.1O2-s layer. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding at 750oC. The layers were sintered at 1100oC.
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The electrical properties mesurements of SOFC with Ce0.8Co0.15Cu0.05O2-s functional layer
Open Research DataThe dataset includes the electrical properties mesurements of SOFC with Ce0.8Co0.15Cu0.05O2-s layer. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding at 750oC. The layers were sintered at 1100oC.
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Electronic transition dipole moment functions of the first singlet Delta gerade and first triplet Delta ungerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Delta gerade (1sDg) and first triplet Delta ungerade (1tDu) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second triplet Sigma ungerade plus (2tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma gerade plus (3sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Sigma ungerade plus and first triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma ungerade plus (1sSu+) and first triplet Sigma gerade plus (1tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the third triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third triplet Sigma ungerade plus (3tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth triplet Sigma ungerade plus (4tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth singlet Sigma gerade plus (4sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Pi gerade (1sPg) and first triplet Pi gerade (1tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...