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Search results for: ELEKTRON
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Potential energy curves of LiCs dimer
Open Research DataThis data presents potential energy curves of LiCs dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron correlation. Dataset consists of 22 potential...
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SEM image and line EDS of SrTi0.50Fe0.50O3-d porous electrode sintered at 800 °C
Open Research DataThis dataset contains image of the SrTi0.50Fe0.50O3-d porous electrode sintered at 800 °C with line EDS analysis results. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage of 20 kV in a high vacuum mode. The chemical compositions of the investigated powder...
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Potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Core polarization potentials and MRCI method is used to describe electron correlation. Dataset consists of 18 potential energy curves of ground...
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SEM micrographs of the topography of Cu-Sn-TiO2 nanocomposite coatings
Open Research DataThe dataset contains the scanning electron microscopy (SEM) micrographs of nanocomposite Cu-Sn-TiO2 coatings electrodeposited from oxalic acid bath containing Cu and Sn salts as well as TiO2 nanoparticles under various treatments: mechanical stirring, ultrasonic or none. The details of the electrodeposition process are presented in the readme file attached...
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The ab initio and experimental study of the spectroscopic and magnetic properties of Ho(III)-EDTA
Open Research DataIn this dataset, the ab initio calculations of the electronic structure and the magnetic properties are discussed in the context of the experimental data for the Ho–EDTA complex. In the calculations different models of the cluster have been applied to examine the influence of various parts of the environment of the Ho(III)-EDTA complex on its properties....
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Chemical and structural studies of screen-printed carbon electrodes (SPCE) with boron-doped diamond foils
Open Research DataThis dataset contains chemical analyses and structural studies by XPS and Raman spectroscopy, carried out for SPCE containing boron-doped diamond BDD foils done with scanning electron microscope. Different points for XPS analysis mark different electrode spots: A) working electrode, B) reference electrode, C) counter electrode, D) pads.
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Results of SEM examination of nanohydroxyapatite coatings doped nanoCu particles on Ti13Zr13Nb alloy
Open Research DataThe database contains the images of the microstructure of the coatings observed with the SEM scanning electron microscope. The nanohydroxyapatite (nanoHAp) with the addition of copper nanoparticle (nanoCu) coatings deposited on the Ti13Zr13Nb alloy by an electrophoresis process were tested. Two different fractions of nanoCu (with average particles size...
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The topography of Bi2VO5.5 ceramic measured with SEM and confocal microscope
Open Research DataThe topography of Bi2VO5.5 ceramics was measured by SEM and confocal microscope.
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Quasirelativistic potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
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XPS data of MXene catalyst
Open Research DataData contain results from XPS measurement of the Ti3C2Tx MXenes produced via acidic etching aluminum from MAX Phase (Ti3C2-Al-Ti3C2-Al-Ti3C2) using 48% HF etching agent (MXene HF). The X-ray spectroscopy (XPS) measurements were conducted using Mg Ka (hn = 1253.6 eV) radiation in a Prevac (Poland) system equipped with a Scienta SES 2002 (Sweden) electron...
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The XAS spectra of O-K edges, Fe-L edges in pristine, La-, and Nb-doped SFM in 3 states: as-prepared, reduced and reoxidized
Open Research DataThis dataset contains the normalized and exported to *.txt spectra for x-ray absorption spectroscopy. The samples analyzed were strontium ferrite molybdate based, doped with lanthanum and niobium. The powders were measured in as-prepared state (denoted in filename as AP), reduced (red) and reoxidized (reox). The filenames are written accordingly: Edge_(optional:...
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SEM images of Solid Oxide Fuel Cell interface with La0.6Sr0.4Co0.2Fe0.8O3-δ oxygen electrodes sintered at 1050 °C before and after test
Open Research DataThis dataset contains cross section SEM images of Solid Oxide Fuel Cell interface with La0.6Sr0.4Co0.2Fe0.8O3-δ oxygen electrode sintered at 1050 °C before and after test. The cell was tested using Open Flanges™ test Set-up at 700 °C. During the test, the cell was aged for approximately 120 hours at a load of 0.5 A/cm^2. Images were obtained using...
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SEM images of Solid Oxide Fuel Cell interface with Sr0.95Ti0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C before and after test
Open Research DataThis dataset contains cross section SEM images of Solid Oxide Fuel Cell interface with Sr0.95Ti0.30Fe0.70O3-d oxygen electrode sintered at 800 °C before and after test. The cell was tested using Open Flanges™ test Set-up at 700 °C. During the test, the cell was aged for approximately 120 hours at a load of 0.5 A/cm^2. Images were obtained using a FEI...
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Topography studies of multiple times processed poly(lactic acid)-carbon black composites
Open Research DataThis dataset contains topography studies with scanning electron microscope of commercially available ProtoPasta 3D printable filament, composed of poly-lactic acid (PLA) and conductive carbon black (CB) filler. The aim of the study is to observe structural differences and applied properties changes under multiple reprocessing of the composite material...
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XRD patterns of the V2O5 coatings after thermal treatment under reducing atmosphere
Open Research DataThe DataSet contains the XRD patterns of V2O5 coatings on the silicon substrate after thermal treatment under a reducing atmosphere. Thin films were annealed at 500C, 600C, and 700C for 10 under a reducing atmosphere (94% Ar, 6% H2).
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The SEM micrographs of the synergistic action between cavitation erosion and pitting corrosion on stainless steel 304
Open Research DataThe dataset contains Scanning Electron Micrographs of stainless steel AISI304 samples made after cavitation erosion-corrosion exposure using a vibratory transducer (in accordance with ASTM G32). The micrographs compare the topography of samples subjected to either cavitation erosion (in deionized water), pitting corrosion (in 8% FeCl3 solution, without...
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GC Chromatograms for isomerization of alpha-pinene
Open Research DataData contain results of the catalytic tests for the isomerization of alpha-pinene for the Ti3C2Tx MXenes produced via acidic etching aluminum from MAX Phase (Ti3C2-Al-Ti3C2-Al-Ti3C2) using different etching agents, HF/HCl and HF/H2SO4 with different weight ratios (1:3, 1:4, and 1:5). The samples were labeled as MXene HF/HCl X:Y and MXene HF/H2SO4 X:Y,...
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The SEM micrographs of the cavitation erosion-corrosion process of selected copper alloys degradation
Open Research DataThe dataset contains Scanning Electron Micrographs of CuZn40Mn3Fe brass compared with Superston and Novoston bronze after cavitation erosion-corrosion exposure using a vibratory transducer (in accordance with ASTM G32). The micrographs compare the topography of samples subjected cavitation erosion in 3% NaCl at room temperature, leading to the surface...
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The microstructure of AA5754 alloy under corrosion in alkaline media (pH=11) with 20 mM of various carboxylic acids
Open Research DataThis dataset contains scanning electron microscopy (SEM) micrographs taken for polished aluminum AA5754 alloy samples, exposed for 100 min in bicarbonate buffer (pH=11) with the addition of 20 mM of carboxylic acids, namely: citric acid, malic acid, maleic acid, succinic acid, tartaric acid, tricarballylic acid and serine. The goal of this study was...
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SEM image and EDS map of SrTi0.50Fe0.50O3-d porous electrode sintered at 800 °C
Open Research DataThis dataset contains image of the SrTi0.50Fe0.50O3-d porous electrode sintered at 800 °C with EDS map analysis results. This study were performed for better understanding the chemical composition of flat like structures that occurs in electrode. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope...
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Results of SEM examination of chitosan/Eudragit E 100 coatings electrophoretically deposited on the Ti grade 2 substrate
Open Research DataThe database contains the images of the microstructure of the coatings observed with the SEM scanning electron microscope. The chitosan/Eudragit E 100 coatings deposited on the Ti grade 2 substrate by an electrophoresis process were tested. Different process parameters like Eudragit E 100 concentration (0.25 g and 0.5 g in 100 mL of 1% (v/v) acetic...
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The microstructure of AA5754 alloy under corrosion in alkaline media (pH=11) with 4.5 mM of various carboxylic acids
Open Research DataThis dataset contains scanning electron microscopy (SEM) micrographs taken for polished aluminum AA5754 alloy samples, exposed for 100 min in bicarbonate buffer (pH=11) with the addition of 4.5 mM of carboxylic acids, namely: citric acid, malic acid, maleic acid, succinic acid, tartaric acid, tricarballylic acid and serine. The goal of this study was...
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The effect of cobalt addition on the corrosion behavior of near equiatomic NiTi shape memory alloy in normal saline solution, impedance and microscopic studies
Open Research DataThe electrochemical and corrosion (uniform and localized) behavior of a binary Ni52Ti48 shape memory alloy (SMA) and two ternary Ni52Ti48-xCox (x = 1.5 and 4.0 wt.%) SMAs were studied. Measurements were conducted in 0.9% NaCl solution at 37 oC. This dataset contains the results of electrochemical impedance spectroscopy (EIS) studies done on daily basis...
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SEM micrographs of cavitation erosion-corrosion of aluminium alloy 2024 with anodic polarization
Open Research DataThe dataset contains Scanning Electron Micrographs of aluminium alloy 2024 samples made after cavitation erosion-corrosion exposure using a vibratory transducer (in accordance with ASTM G32). The experiment duration was 240 min, with cyclic cavitation exposure in on/off cycles 30s:30s. The electrolyte was 0.1 M KNO3 solution. Some samples were anodically...
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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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The structure of 70(2Bi2O3-V2O5) - 30SrBO7 measured with X-ray diffraction and SEM methods
Open Research DataThe structure changes of 70(2Bi2O3-V2O5)-30SrB4O7 glass occurred during increase in temperature was measured by XRD and SEM.
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SEM images of MXene catalysts
Open Research DataData contain results SEM measurements of the Ti3C2Tx MXenes produced via acidic etching aluminum from MAX Phase (Ti3C2-Al-Ti3C2-Al-Ti3C2) using different etching agents, HF/HCl and HF/H2SO4 with different weight ratios (1:3, 1:4, and 1:5). The samples were labeled as MXene HF/HCl X:Y and MXene HF/H2SO4 X:Y, where X:Y means the acids weight ratios. MAX...
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SEM micrographs of aluminium corrosion in alkaline media with various bee products as corrosion inhibitors
Open Research DataThis dataset contains various scanning electron microscopy (SEM) micrographs of AA5754 aluminum alloy samples exposed to the corrosive alkaline environment without and with the addition of various bee products to act as green corrosion inhibitors. The products are bee pollen, honey, and putty. They were investigated in bicarbonate buffer (pH =10 or...
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The XPS studies of the CB-PLA electrodes after different surface treatments (chemical, electrochemical, enzymatic)
Open Research DataThe dataset contains the Xray Photoelectron Spectroscopy results of the studies performed under different conditions of surface activation of the CB-PLA 3D printed electrodes. The activation was performed by hydrolysis in different solvents (DMF, 1M HCl, 1M NaOH), electrolysis in 1M NaOH, enzymatic treatment in polymerase or simultaneous electrolysis...
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X-ray Photoelectron Spectroscopy studies of ammonium vanadate
Open Research DataThe DataSet contains the high-resolution XPS studies of the ammonium vanadate nanostructures obtained by the hydrothermal method. XPS analyses were carried out with an X-ray photoelectron spectrometer (Omicron NanoTechnology) with a 128-channel collector. The measurements were performed at room temperature in an ultra-high vacuum condition (below 1.1x10-8...
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SEM images of dewetted gold films
Open Research DataGold nanostructures were prepared on silicon - Si(111) as a substrate. as a result of dewetting process. Thin golds films were deposited using a table-top dc magnetron sputtering coater under pure Ar plasma conditions . The Au target had 99.99% purity, the rate of Au layer deposition was about 0.4 nm·s−1 and the incident power was 32 W. The thickness...
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Morphology and structure of V2O5 nanorods deposited on the silicon substrate after reduction
Open Research DataThe DataSet contains the XRD patterns and SEM micrographs of V2O5 nanorods on the silicon substrate after thermal treatment under a reducing atmosphere. Thin films were annealed at 500C for 40 under a reducing atmosphere (94% Ar, 6% H2).
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Chemical composition of La-Sr-Ce-Ni-Ti ceramics material measured by XPS method
Open Research DataLa-Sr-Ce-Ni-Ti (LSCNT) based ceramics sample was manufactured by standard solid state reaction.Prepared powder was pressed into pilled and sintered in a furnace in air atmosphere for 10h. Annealing temperature was 1200 Celsius degree. To calculate chemical composition and determine valence states of the elements, X-Ray photoemission spectroscopy (XPS)...
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Collective angst and collective action for progressive city policies: study2
Open Research DataPaweł Adamowicz, the liberal mayor of Gdańsk, died on January 14, 2019, after being stabbed by a man who rushed onstage during a charity event. Three studies were carried out to analyze the predictors of willingness to engage in collective action for the support of the progressive city policies he initiated. Since we assumed that the time after the...
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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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The topography of strontium–borate glasses and glass-ceramics containing nanocrystallites of Bi2VO5.5. measured with SEM method
Open Research DataThe topography of strontium–borate glasses and glass-ceramics containing nanocrystallites of Bi2VO5.5. was measured by SEM.
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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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Study of the chemical state of Gd in a Ba-La-Gd-Co based ceramic
Open Research DataBarium, Lanthanum, Gadolinium and Cobaltium precursors were used for production of ceramic materials. Samples were produced by standard solid state reaction. Samples were annealed at 300 Celsius degree in wet and dry atmosphere. Annealing takes 72h or 2h. Results of annealing on a Gadolinum were observed by X-Ray photoemission spectroscopy (XPS), OmicronNanotechnology....
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SEM images of tge gold nanostructures on silicon
Open Research DataAu nanostructures were prepared on Si(111) as a substrate. The substrates (1 × 1 cm2 of area) were cleaned with acetylacetone and then rinsed in ethanol. Thin Au films (with thicknesses in a range of 1.7–5.0 nm) were deposited using a table-top dc magnetron sputtering coater (EM SCD 500, Leica) under pure Ar plasma conditions (Argon, Air Products 99.999%)....
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The structure of strontium–borate glass-ceramics containing crystalites of Bi2VO5.5. measured with X-ray diffraction and SEM methods
Open Research DataThe structure of strontium–borate glass-ceramics containing Bi2VO5.5 crystallites was measured by XRD and SEM.
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The luminescence study of Sr2−xSrxPN3:Eu2+ nitridophosphate.
Open Research DataIn this work, a series of Ca2−xSrxPN3:Eu2+ nitridophosphate phosphors through a solid-solution strategy involving a hot isostatic press was developed by collaborators from National Taiwan University. Unexpected dual emissions in the red and infrared regions are observed, different from previous research results. The unique change in red and near-infrared...