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Inkjet deposition of electrolyte : Towards Fully Printed Light-emitting Electrochemical CellsLindh, Mattias January 2013 (has links)
Organic electronics is a hot and modern topic which holds great promise for present and future applications. One such application is the light-emitting electrochemical cell (LEC). It can be fully solution processed and driven at low voltage providing light emission from a large surface. Inkjet printers available today can print a variety of inks, both solutions and dispersions. The technique is scalable and a quick and easy way to accurately deposit small quantities of material in user definable patterns onto a substrate. This is desirable to make low cost and efficient optical devices like displays. In this thesis it has been shown that solid electrolytes, after being dissolved in a liquid solvent, can be inkjet printed into a set of well separated distinct drops with an average maximum thickness of 150 nm. The electrolytes are commonly used in LECs and comprised by poly(ethylene glycol) with molar masses ranging from 1 – 35 kg/mol, and potassium trifluoromethanesulfonate (KCF3 SO3 )—together dissolved incyclohexanone to form an ink. The smallest achieved edge to edge distance between the printed drops was 40 μm. Together with a drop diameter of 50 μm it yields a coverage of 24% at a resolution of 280 dpi. Profiles of dried deposited drops of electrolyte were examined with a profilometer, which showed adistinct coffee ring effect on each drop. In particular, the ridges of the coffee rings were broken into pillar like shapes, together forming a structure akin to a scandinavian ancient remnant called stone ship. Different drop diameters were measured in and between the indium tin oxide samples. The drops’ speeds and sizes atejection from the nozzles seemed unchanged, and wettability is most probably the physical phenomena tolook into in order to understand what generates the differences. Local changes in surface roughness and/or surface energy, possibly originating from the cleaning process of the samples, is most likely the cause. No indications towards large differences in surface tension between the printable inks were seen, however their viscoelastic properties were not measured. As part of the thesis work a LEC characterization set-up was built. It drives a LEC at constant currentand measures the driving voltage, -current, and luminance over time. The set-up is controlled by a Labview virtual instrument and the data exported to a text-file for later analysis. The precision of the luminance measurements is ±0.1 cd/m2 for readings < 50 cd/m2 , but the accuracy is uncertain. The conclusion of this thesis is that it is indeed possible to print solid electrolytes dissolved in cyclo-hexanone with an inkjet printer. However, in order to fully understand the spreading and drying of thedrops, studies of the inks’ viscoelastic properties, together with surface roughness and -energy density ofthe substrates, are needed. The largest molar mass of nicely printable poly(ethylene glycol), at an ink concentration of 10 mg/ml, was 35 kg/mol. This is comparable to the molar mass of an active light-emittingmaterial, “SuperYellow”, often used in LECs. Even though their respective molecular structures are very different, this indicates that inkjet printing of complete LEC-inks, containing both the active material and solid electrolyte, is feasible. Most probably it would require substantial tuning of the printing parameters. This thesis provides further hope for future fully inkjet printed LECs.
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Quantum mechanical modelling and electrochemical stability of sodium based glassy electrolyte for all-solid-state batteriesFalk, Carolina, Johansson, Linnéa January 2022 (has links)
Increasing energy demand draws attention to new materials for improving current energy storage technologies. Particular interest is directed at solid state batteries and glass Na3ClO electrolyte is a promising candidate. In this report we explore some of the properties of this new glass and its capabilities as a potential electrolyte for a solid-state battery. The two aims of the study were to model the amorphous structure of the glass using the stochastic quenching method based on density functional theory as well as assessing the electrochemical stability of it against a metallic sodium electrode. Using VASP, a computational code based on density functional theory, we performed calculations of two 150 atom supercells, where the atoms were moved around until the systems were relaxed to obtain two glass models and the resulting structures were analyzed and characterized. The characterization of the structures was made by means of partial radial distribution functions, angle distribution functions, coordination numbers and bond lengths, which showed that the two models are statistically equivalent and either one can be used for the stability assessment of the glass. The electrochemical stability was assessed by inserting an extra sodium atom in possible holes in the glass model and calculating the energetics of Na insertion in each of these holes. This was made for 30 different hole positions. The reduction potential indicates the stability of each hole and the results was plotted as an energy distribution. Two peaks in the energy distribution, located at positive and negative energies, indicating stable and unstable holes, respectively. This indicates that the amorphous structure of the glass allows Na ions to travel (unstable holes). The stable peak has a greater probability density, which indicates a stable electrolyte against sodium metal electrode, though a larger sampling of holes is required for better statistics. / Ökande krav på energiefterfrågan uppmärksammar nya material för att förbättra nuvarande energilagringsteknik, med fokus på solida batterier och glaset Na3ClO som en lovande kandidat för elektrolyt. I denna rapport undersöks några av egenskaperna för glaset samt möjligheten för denna att fungera som elektrolyt i ett solid-state batteri. Målen med projektet var att modellera den amorfa strukturen av glaset genom att använda stochastic quenching method som baseras på density functional theory samt undersöka den elektrokemiska stabiliteten mot en metallisk natrium elektrod. Genom användning av VASP, beräkningskoder baserade på density functional theroy, beräknades två superceller med 150 atomer vardera där atomerna flyttas runt tills dess att systemet var relaxerat och två modeller av glaset erhölls. Dessa var sedan visualiserades och karakteriserade. Karakterisering av strukturerna gjordes genom en partiella radiella fördelningsfunktioner, vinkel distrubitionsfunktioner, koordinationsnummer och bindningslängder. Detta visade på statistisk ekvivalens, vilket innebär att båda modellerna kan användas för vidare stabilitetsundersökning. Den elektrokemiska stabiliteten undersöktes genom att sätta in en extra natrium atom i möjliga hål i glas modellen samt beräkna dess energier av Na insättning i respektive hål. Detta gjordes för 30 olika positioner för hålen. Reduktionspotentialen indikerar stabiliteten för respektive hål, och resultatet plottades som en energidistribution. Två toppar i energidistributionen, lokaliserade vid positiva och negativa energier, indikerar stabila respeltive instabila hål. Detta indikerar på att den amorfa strukturen för glaset tillåter Na joner att färdas (instabila hål). Den stabila toppen har en större sannolikhetstäthet vilket indikerar på en stabil elektrolyt mot en metallisk natrium elektrod, men en större samling hål krävs för en bättre statistisk säkerhet.
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