Search results for "sähkö"
showing 10 items of 302 documents
Adiabatic versus non-adiabatic electron transfer at 2D electrode materials
2021
2D electrode materials are often deployed on conductive supports for electrochemistry and there is a great need to understand fundamental electrochemical processes in this electrode configuration. Here, an integrated experimental-theoretical approach is used to resolve the key electronic interactions in outer-sphere electron transfer (OS-ET), a cornerstone elementary electrochemical reaction, at graphene as-grown on a copper electrode. Using scanning electrochemical cell microscopy, and co-located structural microscopy, the classical hexaamineruthenium (III/II) couple shows the ET kinetics trend: monolayer > bilayer > multilayer graphene. This trend is rationalized quantitatively through th…
Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatoms
2021
Understanding magnetically induced currents (MICs) in aromatic or metallic nanostructures is crucial for interpreting local magnetic shielding and NMR data. Direct measurements of the induced currents have been successful only in a few planar molecules but their indirect effects are seen in NMR shifts of probe nuclei. Here, we have implemented a numerically efficient method to calculate gauge-including MICs in the formalism of auxiliary density functional theory. We analyze the currents in two experimentally synthesized gold-based, hydrogen-containing ligand-stabilized nanoclusters [HAu9(PPh3)8]2+ and [PtHAu8(PPh3)8]+. Both clusters have a similar octet configuration of Au(6s)-derived deloc…
GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation
2020
Atomistic simulations of large biomolecular systems with chemical variability such as constant pH dynamic protonation offer multiple challenges in high performance computing. One of them is the correct treatment of the involved electrostatics in an efficient and highly scalable way. Here we review and assess two of the main building blocks that will permit such simulations: (1) An electrostatics library based on the Fast Multipole Method (FMM) that treats local alternative charge distributions with minimal overhead, and (2) A $λ$-dynamics module working in tandem with the FMM that enables various types of chemical transitions during the simulation. Our $λ$-dynamics and FMM implementations d…
Control of Molecular Orbital Ordering Using a van der Waals Monolayer Ferroelectric
2022
Two-dimensional (2D) ferroelectric materials provide a promising platform for the electrical control of quantum states. In particular, due to their 2D nature, they are suitable for influencing the quantum states of deposited molecules via the proximity effect. Here, we report electrically controllable molecular states in phthalocyanine molecules adsorbed on monolayer ferroelectric material SnTe. In particular, we demonstrate that the strain and ferroelectric order in SnTe creates a transition between two distinct orbital orders in the adsorbed phthalocyanine molecules. By controlling the polarization of the ferroelectric domain using scanning tunneling microscopy (STM), we have successfully…
Sub- to Super-Poissonian crossover of current noise in helical edge states coupled to a spin impurity in a magnetic field
2021
Edge states of two-dimensional topological insulators are helical and single-particle backscattering is prohibited by time-reversal symmetry. In this work, we show that an isotropic exchange coupling of helical edge states (HES) to a spin 1/2 impurity subjected to a magnetic field results in characteristic backscattering current noise (BCN) as a function of bias voltage and tilt angle between the direction of the magnetic field and the quantization axis of the HES. In particular, we find transitions from sub-Poissonian (antibunching) to super-Poissonian (bunching) behavior as a direct consequence of the helicity of the edge state electrons. We use the method of full counting statistics with…
Surfactant-based enrichment of rare earth elements from NdFeB magnet e-waste: Optimisation of cloud formation and rare earths extraction
2023
Appropriate waste and resource management are essential for a sustainable circular economy with reduced environmental impact. With critical resources, e-waste may serve as indirect raw material. For example, with NdFeB permanent magnets, Neodymium (Nd) and the co-present Dysprosium (Dy) are critical rare earth elements (REEs). However, there exists no economically viable technology for recycling them from electronic waste (e-waste). Here, a method is presented based on cloud point extraction (CPE). The work involves basic complexation chemistry in a cloud medium with pure REE salts, as well as, with real NdFeB-magnets (nearly 28% REE content by weight) from an old hard disk drive (5.2 g mag…
Pulsed electromagnetic field therapy in the treatment of pain and other symptoms in fibromyalgia : a randomized controlled study
2018
Low-energy pulsed electromagnetic field (PEMF) therapy has been suggested as a promising therapy to increase microcirculation, which is of great concern in patients with fibromyalgia. This study evaluated the effectiveness of PEMF therapy on the treatment of fibromyalgia. A group of 108 women with fibromyalgia were allocated to a 12-week treatment period with an active Bio-Electro-Magnetic-Energy-Regulation (BEMER) device and a similar treatment period with an inactive device. Each patient received active and sham treatments in a random order. Pain and stiffness were assessed on a visual analog scale (VAS, scale 0-100mm), and functional status was assessed by the Fibromyalgia Impact Questio…
DNA-molekyylin sähkönjohtavuusmittaukset
2012
DNA-molekyylien sähkönjohtavuus on askarruttanut tutkijoita jo usean vuosikymmenen ajan. Periaatteessa DNA-molekyylin sähköiset mittaukset eivät eroa mitenkään minkä tahansa sähkökomponenttien mittauksesta. Useat tutkimukset ovat kuitenkin osoittaneet, että hyvin monet parametrit mittausjärjestelyissä vaikuttavat saatuihin tuloksiin merkittävästi, joten mitään yksiselitteistä vastausta DNA:n sähkönjohtavuuteen ei ole saatu. Tämä opinnäyte keskittyykin näissä erityyppisissä mittauksissa käytettyjen mittausjärjestelyjen tarkasteluun ja saatuihin tuloksiin. Tutkimukset jaotellaan epäsuoriin ja suoriin mittauksiin, joiden erityispiirteet pyritään selvittämään. Lisäksi mittausten tuloksia pyritä…
Privacy preserving data collection for smart grid using self-organizing map
2017
Homomorphic encryption is widely researched in the smart grid area to publish and transfer electricity consumption data between electricity companies. This method makes it feasible to calculate total electricity consumption of neighborhoods without sharing any raw electricity consumption data. In the area of demand response(DR), calculating the total consumption of electricity is important in order to create DR reports which are published by third party to reduce the peak period of electricity usage such as 7 am or 6pm. Nevertheless, the possibility of data exposing or data decryption may lead to individual households private information revealing, for example, the timing of leaving home, t…
Quadrupole deformation of Xe-130 measured in a Coulomb-excitation experiment
2020
Physical review / C 102(5), 054304 (2020). doi:10.1103/PhysRevC.102.054304