A5031027943- Machine Learning in Materials Science
- Electron and X-Ray Spectroscopy Techniques
- X-ray Spectroscopy and Fluorescence Analysis
- Diamond and Carbon-based Materials Research
- Advancements in Solid Oxide Fuel Cells
- Electrochemical sensors and biosensors
- X-ray Diffraction in Crystallography
- Catalysis and Oxidation Reactions
- Graphene research and applications
- Carbon Nanotubes in Composites
- Electrocatalysts for Energy Conversion
- Electrochemical Analysis and Applications
- Analytical Chemistry and Sensors
- Fuel Cells and Related Materials
- Electronic and Structural Properties of Oxides
- Polymer Surface Interaction Studies
- Attention Deficit Hyperactivity Disorder
- Surface Chemistry and Catalysis
- Advanced Chemical Physics Studies
- Conducting polymers and applications
- Molecular Junctions and Nanostructures
Aalto University
2017-2022
Tieto (Finland)
2021
Espoo Music Institute
2017-2020
VTT Technical Research Centre of Finland
2007
Systematic atomistic studies of surface reactivity for amorphous materials have not been possible in the past because complexity these and lack computer power necessary to draw representative statistics. With emergence popularization machine learning (ML) approaches science, systematic (and accurate) chemistry disordered are now coming within reach. In this paper, we show how carbon (a-C) surfaces can be systematically quantified understood by a combination ML interatomic potentials,...
Carbonaceous materials, especially tetrahedral amorphous carbon (ta-C), can form complex functionalized surface structures and are thus promising candidates for applications in biomedical devices electrochemistry. Functional groups at ta-C surfaces have been widely studied by spectroscopic techniques; however, interpretation of the experimental data is extremely difficult, case X-ray photoelectron spectroscopy (XPS) absorption (XAS). The assignments XPS XAS signals normally based on...
Tetrahedral amorphous carbon (ta-C) is widely used for coatings because of its superior mechanical properties and has been suggested as an electrode material detecting biomolecules. Despite extensive research, however, the complex atomic-scale structures chemical reactivity ta-C surfaces are incompletely understood. Here, we combine machine learning, density functional tight binding, theory simulations to shed new light on this long-standing problem. We make atomistic models surfaces,...
We present a quantitatively accurate machine-learning (ML) model for the computational prediction of core-electron binding energies, from which X-ray photoelectron spectroscopy (XPS) spectra can be readily obtained. Our combines density functional theory (DFT) with
Carbon-based nanomaterials are a promising platform for diverse technologies, but their rational design requires more detailed chemical control over structure and properties than is currently available. A long-standing challenge the field has been in interpretation use of experimental X-ray spectra, especially amorphous disordered forms carbon. Here, we outline unified approach to simultaneously quantitatively analyze absorption spectroscopy (XAS) photoelectron (XPS) spectra carbonaceous...
Successful deployment of carbon nanomaterials in many applications, such as sensing, energy storage, and catalysis, relies on the selection, synthesis, tailoring surface properties. Predictive analysis behavior is difficult without detailed knowledge differences between various their functionalization, thus leaving selection process to traditional trial-and-error work. The present characterization fills this gap for nanomaterial properties with respect chemical states functionalization. We...
Here we investigated the electrochemical properties and dopamine (DA) detection capability of SU-8 photoresist based pyrolytic carbon (PyC) as well its biocompatibility with neural cells. This approach is compatible microfabrication techniques which crucial for device development. X-ray photoelectron spectroscopy shows that PyC consists 98.5% carbon, while oxygen plasma treatment (PyC-O2) increases amount up to 27.1%. showed nearly reversible (ΔEp 63 mV) electron transfer kinetics towards...
In this work, we demonstrate how to identify and characterize the atomic structure of pristine functionalized graphene materials from a combination computational simulation X-ray spectra, on one hand, computer-aided interpretation experimental other. Despite enormous scientific industrial interest, precise these 2D remains under debate. As show in study, wide range model structures heavily oxidized can be studied understood with same approach. We move systematically highly defective models,...
Biofouling affects the redox kinetics of outer and inner sphere probes on carbon surfaces drastically differently.
In this work, we study the adsorption characteristics of dopamine (DA), ascorbic acid (AA), and dopaminequinone (DAox) on carbonaceous electrodes. Our goal is to obtain a better understanding behavior these analytes in order promote development new carbon-based electrode materials for sensitive selective detection vivo. Here employ density functional theory-based simulations reach level detail that cannot be achieved experimentally. To get broader surfaces with different morphological...
Connection between the physicochemical characteristics of amorphous carbon thin films and their electrochemical propertiesConnecting a material's surface chemistry with its electrocatalytic performance is one major questions in analytical electrochemistry.This especially important many sensor applications where analytes from complex media need to be measured.Unfortunately, today this connection still largely missing except perhaps for most simple ideal model systems.Here we present an...
Based on a short review of current state-of-the-art materials SOFC active components, the major challenges still requiring basic research are pointed out. With aid literature research, SWOT analyses for both main cell designs, tubular and planar, constructed to give an immediate insight complex situation research. The results this work interpreted with strategy European Hydrogen & Fuel Cell Technology Platform in order incorporate conclusions into wider context. This study provides...
A pre-reforming unit is needed if liquid hydrocarbon fuels, such as gasoline or diesel, are used in solid oxide fuel cell (SOFC) systems. Although removes most of the higher hydrocarbons, there may still be some fractions left reformate flow. Ethene was chosen to subject this work because it has been analyzed significant impurity diesel reformate. In work, an anode supported examine behavior and performance a SOFC when ethene added hydrogen feed. The concentration feed increased stepwise...
Abstract not Available.