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Wyniki wyszukiwania dla: ENERGY MODEL
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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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High temperature X-Ray difractogramms of 10_B cation multicomponent perovskites
Dane BadawczeThe dataset contains high-temperature XRD patterns of the Ba(ZrHfSnTiCeInYYbSmZn)O3 perovskite which was hydrated at 300 C before the analyses. The set contains the data from four subsequent heating treatments. It also includes the XRD of a dry sample. The technical symbol of the sample is H038. The perovskites were synthesised and studied in the NCN...
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X-Ray difractogramms of multicomponent perovskites
Dane BadawczeThe dataset contains raw XRD patterns of four exemplary barium perovskites having 5 different B-cations, that is Zr, Hf, Sn, Ti and Ce, Zr, Hf, Sn, Ti and Y, Zr, Hf, Sn, Ti and Yb and Zr, Hf, Sn, Ti and Sm. The perovskites were synthesised and studied in the NCN project "High entropy oxides for energy conversion"
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Visualization of the surface of the Nafion membrane
Dane BadawczeFuel 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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Conception and design of a hybrid exciter for brushless synchronous generator. Application for autonomous electrical power systems = Koncepcja i projekt hybrydowej wzbudnicy bezszczotkowego generatora synchronicznego. Zastosowanie w autonomicznych systemach elektroenergetycznych
PublikacjaIn this paper a hybrid excitation system for a brushless synchronous generator working with variable speed in an autonomous energy generation system (e.g. airplane power grid) has been presented. A conception of a dual-stator hybrid exciter has been proposed. Comparison study of classical and hybrid exciter has been carried out. For the electromagnetic calculation two approaches have been applied: an analytical approach (based...
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Mono- and bimetallic nanoparticles decorated KTaO 3 photocatalysts with improved Vis and UV–Vis light activity
PublikacjaNew mono- and bimetallic nanoparticle-decorated perovskite-type KTaO3 photocatalysts were successfully synthesized by hydrothermal reaction followed by photodeposition of MNPs/BNPs. The effect of noble metal type, amount of metal precursor as well as photoreduction method on the physicochemical and photocatalytic properties of MNPs- and BNPs-KTaO3 have been investigated. Photocatalytic activity under Vis light irradiation was estimated...
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Sounding rocket temperature and heat transfer data
Dane BadawczeThis dataset contains temperature and heat transfer data measured during REXUS 25 sounding rocket HEDGEHOG Experiment launched from Esrange Space Centre, Kiruna, Sweden. For experiment details, please see:
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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Dane BadawczeThe 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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Marek Czachor prof. dr hab.
Osoby -
Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeAdiabatic 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
Dane BadawczeThe 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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Enhancement of self-trapped excitons and near-infrared emission in Bi3+/Er3+ co-doped Cs2Ag0.4Na0.6InCl6 double perovskite
Dane BadawczeErbium (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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Numerical optimization of planar antenna structures using trust-region algorithm with adaptively adjusted finite differences
Dane BadawczeThe 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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Net electricity production by fuel (2006-2030)
Dane BadawczeThis 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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SEM image and EDS map of SrTi0.50Fe0.50O3-d powder aglomerate
Dane BadawczeThis dataset contains image of the SrTi0.50Fe0.50O3-d powder aglomerate with EDS map analysis results. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage of 10 kV in a high vacuum mode. The chemical compositions of the investigated powder were determined...
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SEM image and EDS map of SrTi0.65Fe0.35O3-d powder aglomerate
Dane BadawczeThis dataset contains image of the SrTi0.65Fe0.35O3-d powder aglomerate with EDS map analysis results. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage of 10 kV in a high vacuum mode. The chemical compositions of the investigated powder were determined...
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SEM image and EDS map of SrTi0.30Fe0.70O3-d powder aglomerate
Dane BadawczeThis dataset contains image of the SrTi0.30Fe0.70O3-d powder aglomerate with EDS map analysis results. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage of 10 kV in a high vacuum mode. The chemical compositions of the investigated powder were determined...
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Sorption of ammonia nitrogen and phosphate phosphorous by straw and wood-derived biochars
Dane BadawczeThis 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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XPS investigations of tge tin/tin oxides - CNT composites
Dane BadawczeThe composite of tin/tin oxide nanoparticles with graphene oxide and CMC based on laser ablation technique as an electrode material for energy storage devices were manufactured. The material exhibited a three-dimensional conducting graphene oxide network decorated with tin or tin oxide nanoparticles. The presence of tin/tin oxide in composites was...
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Chemical composition of V2O5 nanorods
Dane BadawczeThe DataSet contains the chemical compositions of the V2O5 nanorods on a silicon substrate. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The As-prepared thin films were annealed at 600C under a synthetic air atmosphere.
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Born-Oppenheimer potential energy curves of the NaK molecule
Dane BadawczeAdiabatic 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
Dane BadawczeThe 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
Dane BadawczeThis 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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SEM image and line EDS of SrTi0.50Fe0.50O3-d porous electrode sintered at 800 °C
Dane BadawczeThis 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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Genetic Hybrid Predictive Controller for Optimized Dissolved-Oxygen Tracking at Lower Control Level
PublikacjaA hierarchical two-level controller for dissolvedoxygenreference trajectory tracking in activated sludge processeshas been recently developed and successfully validated on a realwastewater treatment plant. The upper level control unit generatestrajectories of the desired airflows to be delivered by theaeration system to the aerobic zones of the biological reactor. Anonlinear model predictive control algorithm is applied to designthis...
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Role of surface recombination in perovskite solar cells at the interface of HTL/CH3NH3PbI3
PublikacjaIn order to achieve the highest performance of organometal trihalide perovskite solar cells, it is required to recognize the dominant mechanisms which play a key role in a perovskite material. In the following studies, we have focused on the interfacial recombination between the hole transporting layer (HTL) and the perovskite CH3NH3PbI3 in solar cell devices with p–i–n architecture. It has been shown that Cu:NiOx : used as HTL...
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Dane BadawczeThis 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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Determining the optimal filling of the surface with a linker with Universal Force Field and Reax Force Field
Dane BadawczeThe 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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Decision support system for design of long distance heat transportation system
PublikacjaDistrict Heating (DH) systems are commonly supplied using local heat sources. Nowadays, modern insulation materials allow for effective and economically viable heat transportation over long distances (over 20 km). The paper proposes a Decision Support System (DSS) for optimized selection of design and operating parameters of a long distance Heat Transportation System (HTS). The method allows for evaluation of feasibility and effectiveness...
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Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Dane BadawczeThe 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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SEM image and EDS map of SrTi0.50Fe0.50O3-d porous electrode sintered at 800 °C
Dane BadawczeThis 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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Reflectance Measurements and iCone Calorimeter Burning Results of Charcoals Derived from Lake Żabińskie (North-Eastern Poland)
Dane BadawczeThe 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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Two-phase optimizing approach to design assessments of long distance heat transportation for CHP systems
PublikacjaCogeneration or Combined Heat and Power (CHP) for power plants is a method of putting to use waste heat which would be otherwise released to the environment. This allows the increase in thermodynamic efficiency of the plant and can be a source of environmental friendly heat for District Heating (DH). In the paper CHP for Nuclear Power Plant (NPP) is analyzed with the focus on heat transportation. A method for effectivity and feasibility...
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Adiabatic potential energy curves of the KRb molecule
Dane BadawczeAdiabatic 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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Countries with the highest and the lowest electricity consumption per capita in 1998, kWh / c
Dane BadawczeFor 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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Exploring the interfacial effects at the ETL/perovskite boundary in the semitransparent perovskite solar cells
PublikacjaThe recent focus has been made on the perovskite solar cells (PSCs) with an inverted configuration, where substantial improvements have been already achieved. However, the p–i–n structure needs a buffer layer for most of the configurations to modify the work-function of a deposited electrode. Additionally and very importantly, such a layer can also serve as a protective film that improves a stability of solar cells. Here, we study...
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Adiabatic potential energy curves of the 3, 4 and 5^1Σ^+ excited states of LiCs molecule
Dane BadawczeAdiabatic 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...
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Impedance and cyclic voltammetry studies of GPLA electrodes after laser ablation
Dane BadawczeThe 3D printed GPLA electrodes present a brand new opportunity for electrode material for electrochemical biosensors. In order for the electrodes to be considered viable for electroanalysis studies, the pretreatment procedure must be applied in order to etch PLA matrix and reveal graphene filler. The following dataset presents an approach towards such...
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Raman spectroscopy analysis of poly(lactic acid)-carbon black composite treated by femtosecond laser
Dane BadawczeThe dataset contains the Raman spectroscopy measurements of commercially available carbon black-filled poly(lactic acid) 3D printed electrodes after femtosecond laser ablation. These results were utilized in the manuscript published in Electrochimica Acta: 10.1016/j.electacta.2022.140288
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X-ray diffraction spectra of the NiCo2O4 modified by carbon
Dane BadawczeThis dataset comprises XRD results for NiCo2O4 modified with carbon, varying according to the amount of carbon. In this context, the XRD data provide insights into the crystalline structure and phase composition of the NiCo2O4 material as it is modified with varying quantities of carbon. This investigation is valuable for understanding how the presence...