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Search results for: amplitude-distance spectroscopy
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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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DLC coating in ring-on-ring sliding with water lubrication 10MPa/0.1m/s
Open Research DataWear tests in sliding friction of DLC coating on 1.4021 (EN 10088-1) heat treated stainless steel. Ring - on - ring contact in unidirectional sliding, DLC-W over DLC-W. Mean contact stress: 10MPa. Sliding velocity: 0,1 m/s. Mean friction radius: 9.5mm. Lubricant: WATER. Tribometer: PT-3. Overall test time >15h. The test was augmented by vibration...
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DLC coating in ring-on-ring sliding with saline solution (0.9% wt.) lubrication 20MPa/0.1m/s
Open Research DataWear tests in sliding friction of DLC coating on 1.4021 (EN 10088-1) heat treated stainless steel. Ring - on - ring contact in unidirectional sliding, DLC-W over DLC-W. Mean contact stress: 20MPa. Sliding velocity: 0,1 m/s. Mean friction radius: 9.5mm. Lubricant: SALINE SOLUTION (0.9% wt.). Tribometer: PT-3. Overall test time >15h. The test was augmented...
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DLC coating in ring-on-ring sliding with saline solution (0.9% wt.) lubrication 10MPa/0.1m/s
Open Research DataWear tests in sliding friction of DLC coating on 1.4021 (EN 10088-1) heat treated stainless steel. Ring - on - ring contact in unidirectional sliding, DLC-W over DLC-W. Mean contact stress: 10MPa. Sliding velocity: 0,1 m/s. Mean friction radius: 9.5mm. Lubricant: SALINE SOLUTION (0.9% wt.). Tribometer: PT-3. Overall test time >15h. The test was augmented...
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DLC coating in ring-on-ring sliding with water lubrication 20MPa/0.1m/s
Open Research DataWear tests in sliding friction of DLC coating on 1.4021 (EN 10088-1) heat treated stainless steel. Ring - on - ring contact in unidirectional sliding, DLC-W over DLC-W. Mean contact stress: 20MPa. Sliding velocity: 0,1 m/s. Mean friction radius: 9.5mm. Lubricant: WATER. Tribometer: PT-3. Overall test time >15h. The test was augmented by vibration...
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DLC coating doped with W in ring-on-ring sliding with water lubrication 20MPa/0.1m/s
Open Research DataWear tests in sliding friction of 1% W (tungsten) doped DLC coating on 1.4021 (EN 10088-1) heat treated stainless steel. Ring - on - ring contact in unidirectional sliding, DLC-W over DLC-W. Mean contact stress: 20MPa. Sliding velocity: 0,1 m/s. Mean friction radius: 9.5mm. Lubricant: WATER. Tribometer: PT-3. Overall test time >15h. The test was...
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DLC coating doped with W in ring-on-ring sliding with water lubrication 10MPa/0.1m/s
Open Research DataWear tests in sliding friction of 1% W (tungsten) doped DLC coating on 1.4021 (EN 10088-1) heat treated stainless steel. Ring - on - ring contact in unidirectional sliding, DLC-W over DLC-W. Mean contact stress: 10MPa. Sliding velocity: 0,1 m/s. Mean friction radius: 9.5mm. Lubricant: WATER. Tribometer: PT-3. Overall test time >15h. The test was...
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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
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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The Mott-Schottky characteristics of microwave pulsed-plasma polymerized allylamine by DEIS analysis
Open Research DataThe dataset contains the results obtained for the Mott-Schottky analysis of the microwave pulsed-plasma polymerized allylamine using the multifrequency perturbation signal with Dynamic Electrochemical Impedance Spectroscopy (DEIS) technique. The results were obtained using the perturbation composed of the elementary signals with a frequency range between...
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FTIR spectra and IGC chromatograms for chemically reduced graphene oxide aerogels (rGOA)
Open Research DataThe effect of selected synthesis parameters on reduced graphene oxide aerogels properties was investigated using Fourier-transform infrared spectroscopy and dynamic adsorption method (Inverse Gas Chromatography, IGC). Samples were synthesized by sol-gel method by reduction induced self-assembly of graphene oxide. As a reductant l-ascorbic acid was used....
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Linear impedance of V2O5 nanorods obtained at 923K
Open Research DataThe DataSet contains the linear electrical properties of V2O5 nanorods which were measured by the impedance spectroscopy method. V2O5 nanorods were obtained by the sol-gel method. The information about xerogel powder synthesis is described in the Journal of Nanomaterials. The precursor powder was pressed into the disk-shaped pellets (12mm in diameter...
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The corrosion studies of 3,4,5-trihydroxybenzoic acid as an effective corrosion inhibitor of low alloy steel
Open Research DataThe dataset contains the electrochemical studies evaluating if gallic acid is a corrosion inhibitor for low alloy steel. Three measurements were carried out each case; corrosion potential (label ecorr), electrochemical impedance spectroscopy (label eis) and cyclic polarization (label cp). The measurements were carried out in sodium chloride, acidified...
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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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DLC coating doped with W in ring-on-ring sliding with saline solution (0.9% wt.) lubrication 20MPa/0.1m/s
Open Research DataWear tests in sliding friction of 1% W (tungsten) doped DLC coating on 1.4021 (EN 10088-1) heat treated stainless steel. Ring - on - ring contact in unidirectional sliding, DLC-W over DLC-W. Mean contact stress: 20MPa. Sliding velocity: 0,1 m/s. Mean friction radius: 9.5mm. Lubricant: SALINE SOLUTION (0.9% wt.). Tribometer: PT-3. Overall test time >15h....
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DLC coating doped with W in ring-on-ring sliding with saline solution (0.9% wt.) lubrication 10MPa/0.1m/s
Open Research DataWear tests in sliding friction of 1% W (tungsten) doped DLC coating on 1.4021 (EN 10088-1) heat treated stainless steel. Ring - on - ring contact in unidirectional sliding, DLC-W over DLC-W. Mean contact stress: 10MPa. Sliding velocity: 0,1 m/s. Mean friction radius: 9.5mm. Lubricant: SALINE SOLUTION (0.9% wt.). Tribometer: PT-3. Overall test time >15h....
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Partial PLA composite surface activation by femtosecond laser ablation
Open Research DataThe dataset contains the studies on electrochemical activity of PLA composite (commercially available CB-PLA Protopasta), which was 3D printed in a form of 1x1cm electrodes. The electrodes were submitted to femtosecond laser ablation operating with different parameters. These were: gas atmosphere (He or air, data in different subfolders), the percentage...
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Influence of the annealing condictions on the chemical structure of LaBaGdCo ceramics
Open Research DataCeramic samples based on Barium, Lanthanum, Gadolinium and Cobaltium were produced by solid state reaction. After sintring in a furnance, samples were annealed at 300 Celsius degree in wet and dry atmosphere. Annealing takes 72h or 2h. Results of annealing were observed by X-Ray photoemission spectroscopy (XPS), OmicronNanotechnology. XPS analysis...
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3D point cloud as a representation of buildings: the Nanotechnology Center and the Auditorium Novum
Open Research DataThe product presents the point cloud in the collection of a three-dimensional database in spatial order as the representations of the Nanotechnology Center and the Auditorium Novum buildings (located on the campus of the Gdańsk University of Technology) acquired in the laser scanning technology. According to its high accuracy and precision of data acquisition...
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Finite element models used in diagnostics of transverse cracks in bridge approach pavement
Open Research DataTransverse cracks in the asphalt pavement were observed on bridge structures next to single-module expansion joints with a 5 meter approach slab set at the depth of 1 m. The finite element (FE) models of the approach pavement were created to investigate the reasons of premature cracking and crack initiation mechanism over the back edge of the abutment...
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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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The changes of outlet gases concentrations from SOFC with Ce(Pr,Sm)O2-s layers
Open Research DataThe dataset includes The changes of outlet gases concentrations from SOFC with Ce(Pr,Sm)O2-s layers. 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.
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Valence state of Manganium in a MnCoO ceramics
Open Research DataManganium -cobalt based ceramics materials were produced by solid state reaction and sintred in a furnance in air atmosphere for 20h. Annealing temperature was 600 Celsius degree. For investigations a series of samples, with a various composition was chosen: MnCoO, Mn, Co2O and Mn2CoO. In order to determine valence states of the Mn, X-Ray photoemission...
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Lanthanum investigations in ceramics annealed in a dry and wet atmosphere
Open Research DataCeramics based on Barium, Lanthanum, Gadolinium and Cobaltium were produced by standard solid state reaction from oxides and carbonate powders. After sintring, samples were annealed for 2 hours or 72 hours at 300 Celsius degree in a both: wet and dry atmosphere. Results of annealing on a chemical composition and valence state of lanthanum were observed...
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XPS analysis of TBBO glass
Open Research DataGlasses and glass-ceramics with nominal composition 73 TeO2– 4BaO– 3Bi2O3–18SrF2-2RE2O3 (where RE = Eu, Dy) have been synthesized by conventional melt-quenching technique and subsequent heat treatment at 370 °C for 24 h in air atmosphere. Various Eu3+ to Dy3+ molar ratio have been applied to investigate luminescence properties in both glass and glass-ceramic...
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Sol-gel derived lithium titanate powders measured by XPS method
Open Research DataFor sol-gel synthesis lithium acetate dehydrate from Alfa Aesar GmbH &Co and titanium (IV) butoxide 97% from Aldrich were used as reagents. Copper (II) nitrate from Alfa Aesar was used as a source of Cu dopant. It was added in the proper weight to get an x index equal 0, 0.1 and 0.2. In the first step lithium acetate and copper nitrate were dissolved...
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TEM, EDS and optical microscope images of pristine and silica-coated bismuth oxide (Bi2O3) and gadolinium oxide (Gd2O3) structures.
Open Research DataData consists of raw TEM/EDS and optical microscope images of pristine and silica-coated bismuth oxide (Bi2O3) and gadolinium oxide (Gd2O3) structures. Additional TEM images and optical microscope images of silica shells were included.
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Substrate characterization in a electrochemically derived Manganium-Cobaltium thin films
Open Research DataManganium-Cobaltium thin films were electrochemically deposited on a Ni foams subsrates in a one-step process at −1.1 V vs. Ag/AgCl in an aqueous solution of differently concentrated Mn(NO3)2·4H2O and Co(NO3)2·6H2O with the deposition time limited by charges of 60, 120, and 200 mC at 25 °C. The concentration ratios of Mn(NO3)2·4H2O to Co(NO3)2·6H2O...
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Transition dipole moment functions of the KRb molecule
Open Research DataElectronic transition dipole moment functions (TDMF) have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. TDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the transition dipole moments...
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Permanent dipole moment functions of the KRb molecule
Open Research DataElectronic permanent dipole moment functions (PDMF) have been calculated for the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states of the KRb molecule. PDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the permanent dipole moments have been...
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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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Hydrogenation process ofTiO2/BiVO4/PEDOT:PSS observed by XPS method
Open Research DataTitania nanotubes synthesis was based on a two-stage anodization process at water/ethylene glycol (5%/95%) electrolyte containing 0.27 M NH4F and 1 M H3PO4 described previously. Anodization process was performed in two-electrode cell compartment using platinum mesh as a cathode. The distance between electrodes was about 2 cm. The anodization voltage...
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Nonlinear impedance of vanadate glasses containing BaTiO3
Open Research DataThe nonlinear impedance of vanadate glasses doped with BaTiO3 was measured. Samples of the composition of x[BaO,TiO2]–(80 − x)V2O5–20Bi2O3 where x = 5, 10 and 15 in mol% were prepared by a conventional melt quenching technique. The melting was performed in alumina crucibles at the temperature of 1273 K–1373 K. The melts were poured on a preheated (573...
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Examples of AFM applications in liquid environment
Open Research DataImportant advantage of atomic force microscopy (also tunneling microscopy) is the ability to work in different environments (vacuum, controlled atmosphere, liquid environment). The last one, open interesting possibilities, such as imaging of delicate biological materials in their natural state. The use of electrochemical mode allows for the modification...
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Wave propagation signals in concrete beams under 3-point bending
Open Research DataThe DataSet contains the results of the mechanical behaviour of a concrete beams with dimensions 40 x 40 x 160 cm3under the 3-point bending. The beams were made of concrete with the following ingredients: CEM I 42.5R (450 kg/m3), water (177 kg/m3), sand 0-2 (675 kg/m3) and gravel 2-8 (675 kg/m3). The bending test was performed using a Zwick/Roell Z10...
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Unraveling Luminescent Energy Transfer Pathways: Futuristic Approach of Miniature Shortwave Infrared Light-Emitting Diode Design
Open Research DataPhosphor-converted shortwave infrared phosphor light-emitting diodes (pc-SWIR LEDs, 900–1700 nm) are promising next-generation portable light sources for spectroscopy, security, optical communication, and medical applications. A typical design strategy involves energy transfer from Cr3+ to Ni2+, and thus, energy transfer from Cr3+–Cr3+ pairs to Ni2+...
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Nonlinear impedance of vanadate glass-ceramics containing BaTiO3
Open Research DataThe nonlinear impedance of vanadate glasses doped with BaTiO3 was measured. Samples of the composition of x[BaO,TiO2]–(80 − x)V2O5–20Bi2O3 where x = 5, 10 and 15 in mol% were prepared by a conventional melt quenching technique. The melting was performed in alumina crucibles at the temperature of 1273 K–1373 K. The melts were poured on a preheated (573...
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Gold nanocubic structures agglomeration when put on conductive surfaces
Open Research DataThis dataset contains Dynamic EIS results obtained for the gold electrodes with non-functionalized gold nanocubes (AuNC) deposited at its surface. The deposition was the following: 2 uL of the solvent containing CTAB as the surfactant was put on the electrode and dried, the same procedure was applied 5 times. Afterward, the electrode was immersed in...
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Gold nanocubic structures agglomeration when put on conductive surfaces
Open Research DataThis dataset contains Dynamic EIS results obtained for the gold electrodes with non-functionalized gold nanocubes (AuNC) deposited at its surface. The deposition was the following: 2 uL of the solvent containing CTAB as the surfactant was put on the electrode and dried, the same procedure was applied 5 times. Afterward, the electrode was immersed in...
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Transmission electron microscope (TEM) and optical microscope images of pristine and silica-coated bismuth oxide and gadolinium oxide particles
Open Research DataCollection of raw transmission electron microscope (TEM) micrographs and optical microscope images used in the associated manuscript. All data in accessible *.tif format. Zip package contains:
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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...