Search results for "douppaus"
showing 7 items of 7 documents
Cubic aromaticity in ligand-stabilized doped Au superatoms
2021
The magnetic response of valence electrons in doped gold-based [M@Au8L8]q superatoms (M = Pd, Pt, Ag, Au, Cd, Hg, Ir, and Rh; L = PPh3; and q = 0, +1, +2) is studied by calculating the gauge including magnetically induced currents (GIMIC) in the framework of the auxiliary density functional theory. The studied systems include 24 different combinations of the dopant, total cluster charge, and cluster structure (cubic-like or oblate). The magnetically induced currents (both diatropic and paratropic) are shown to be sensitive to the atomic structure of clusters, the number of superatomic electrons, and the chemical nature of the dopant metal. Among the cubic-like structures, the strongest arom…
Co-precipitation of Mg-doped Ni0.8Co0.1Mn0.1(OH)₂:effect of magnesium doping and washing on the battery cell performance
2023
Co-precipitation of Ni0.8Co0.1Mn0.1(OH)2 (NCM811) and Mg-doped (0.25 wt% and 0.5 wt%) NCM811 precursors is carried out from concentrated metal sulphate solutions. In this paper, the aim is to study the role of magnesium dopant in the co-precipitation step of NCM811, the cathode active material and further the Li-ion battery cell performance. Based on the results, magnesium was fully co-precipitated in the NCM811 precursors, as expected from thermodynamic calculations. The presence of magnesium in these precursors was also confirmed by several characterization methods and magnesium was evenly distributed in the sample. It was observed that tapped density decreased and surface area increased …
Electrical measurements of femtosecond laser treated graphene
2017
Tutkielman pääasiallinen tavoite oli valmistaa sähköisiin mittauksiin sopivia grafeenilaitteita ja tutkia femtosekuntilaserkäsittelyn vaikutusta grafeenin sähköisiin ominaisuuksiin. Tutkielmassa käsitellään grafeenin valmistamista kemiallisella kaasufaasipinnoituksella, laitegeometrian määrittelyä ja käsittelemättömän, sekä femtosekuntilaserilla käsitellyn grafeenin sähköisiä mittauksia. Grafeenin synteesin alustana käytettiin kupariohutkalvoja ja pääasiallisena lähtöaineena oli etanoli tai metaani. Metaanin käyttö grafeenin synteesissä johti paremmin toistettaviin tuloksiin. Lisäksi havaittiin, että synteesissä käytetyn uunin latausjärjestelmän teräksinen osa lisäsi kupariohutkalvon reikii…
Computational studies of gold-absorbate complexes on modified oxides
2016
While bulk gold is known for its chemical inertness, nanosized gold clusters are active catalysts for a variety of important reactions. For some practical applications gold clusters are supported and the cluster-support interaction can modify the cluster's properties. The knowledge of this interaction can be vital for obtaining desired cluster properties. In this thesis, the adsorption of Au atoms and clusters on modified oxide surfaces is studied using density functional theory (DFT) calculations. The support effects are considered by direct analysis of the adsorbed Au and using other coadsorbates as reactivity probes. Doping the CaO(001) surface by replacing a cation with a high valence d…
Strain effects in phosphorus bound exciton transitions in silicon
2023
Donor spin states in silicon are a promising candidate for quantum information processing. One possible donor spin readout mechanism is the bound exciton transition that can be excited optically and creates an electrical signal when it decays. This transition has been extensively studied in bulk, but in order to scale towards localized spin readout, microfabricated structures are needed for detection. As these electrodes will inevitably cause strain in the silicon lattice, it will be crucial to understand how strain affects the exciton transitions. Here we study the phosphorous donor bound exciton transitions in silicon using hybrid electro-optical readout with microfabricated electrodes. W…
Modeling optical constants from the absorption of organic thin films using a modified Lorentz oscillator model
2022
Optical constants of organic thin films can be evaluated using the Lorentz oscillator model (LOM) which fails to fit inhomogeneously broadened absorption of highly concentrated molecular films. In modified LOM (MLOM), the inhomogeneous broadening is implemented through a frequency-dependent adjustable broadening function. In this work, we evaluate the optical constants of rhodamine 6G doped poly-vinyl alcohol thin films with varying doping concentration (including also extensively high concentrations) using MLOM, which outperforms LOM by showing a better agreement with the experimental results. Our proposed method provides a way to accurately determine optical constants of isotropic organic…
Ytterbium-doped fibers for high-power fiber lasers
2021
Ytterbium (Yb) doped optical fibers are widely used in high-power applications and ultrafast lasing since they show adequate power-handling capability and provide desirable beam quality. Yb-doped fibers with large core area can support high power but often act as a multimode fiber and compromise the output beam quality. Hence, it is important to attain a proper balance between the power-handling capability and the beam quality. Yb-doped fibers as a gain medium in pulsed fiber laser systems are prone to nonlinear optical effects due to the presence of high peak power in the ultrashort pulses. Nonlinearity such as self phase modulation (SPM) affects the width and the shape of the pulse, both …