Related papers: Understanding polyethylene surface functionalizati…
The synthesis and texturization processes of fluorinated surfaces by means of atmospheric plasma are investigated and presented through an integrated study of both the plasma phase and the resulting material surface. Three methods enhancing…
We have studied radiofrequency capacitively coupled plasmas in pure O2 using single mode laser cavity ringdown spectroscopy of oxygen atoms at 630 nm. The absolute atom densities and translational temperatures were determined over a range…
Diffusion-mediated surface phenomena are crucial for human life and industry, with examples ranging from oxygen capture by lung alveolar surface to heterogeneous catalysis, gene regulation, membrane permeation and filtration processes.…
An atmospheric plasma torch has been supplied with a gaseous mixture of helium, water vapour and/or oxygen to study the production of reactive species within its flowing post-discharge, in particular hydrogen peroxide. The mechanisms…
Oxygen-plasma pre-cleans are routine before fabrication, but on BaTiO3 thin films we observed catastrophic photoresist lift-off during mild rinsing and sonication. To explain the failure, we combined optical microscopy, EDS, and XPS. EDS…
Molecular dynamics calculations of inelastic collisions of atomic oxygen with molecular nitrogen are known to show orders of magnitude discrepancies with experimental results in the range from room temperature to many thousands of degrees…
In recent years due to improvements in calculation methods and increased computer power, it has become possible to perform first-principles investigations for ``simple'' chemical reactions at surfaces. We have carried out such studies for…
In the context of polymer surface treatment, the afterglow of an atmospheric pressure Ar/O$_2$ radiofrequency plasma is characterized by optical emission spectroscopy, laser induced fluorescence and mass spectrometry. The influence of the…
Atmospheric aerosols facilitate reactions between ambient gases and dissolved species. Here, we review our efforts to interrogate the uptake of these gases and the mechanisms of their reactions both theoretically and experimentally. We…
The elementary processes during the fixation of nitrogen by plasma catalysis are studied in a low-pressure plasma experiment using N$_2$ and O$_2$ as source gases. The formation of surface groups on an iron oxide foil are monitored with…
This study investigates the catalytic degradation of ground-level ozone on low-index stoichiometric and reduced CeO$_2$ surfaces using first-principles calculations. The presence of oxygen vacancies on the surface enhances the interaction…
We report on a computational study of the clean and oxygen-covered Rh(110) surface, based on density-functional theory within the local-density approximation. We have used plane-wave basis sets and Vanderbilt ultra-soft pseudopotentials.…
In this work we study the high pressure behaviour of liquid and glassy GeO2 by means of molecular dynamics simulations. The interaction potential, which includes dipole polarization effects, was parameterized from first-principles…
We present a High-Pressure X-ray Photoelectron Spectroscopy (HP-XPS) and first-principles kinetic Monte Carlo study addressing the nature of the active surface in CO oxidation over Pd(100). Simultaneously measuring the chemical composition…
Kinetics of molecular oxygen / Au (001) surface interaction has been studied at high temperature and near atmospheric pressures of O2 gas with in situ x-ray scattering measurements. We find that the hexagonal reconstruction (hex) of Au…
While hydroxyl radicals ($\cdot$OH) play an important role as potent oxidizing agents in various plasma applications, their high reactivity confines them to a thin layer at the plasma-liquid interface, posing challenges in comprehending the…
Plasma chemistry of main air components is implemented in a hybrid 2D axisymmetric simulation code to assess the air-breathing concept in an electrodeless plasma thruster. Relevant electron-heavy species collisions for diatomic molecules…
Equilibration dynamics of hot oxygen atoms following O2 dissociation on Pd(100) and Pd(111) surfaces are investigated by molecular dynamics simulations based on a scalable neural network potential enabling first-principles description of O2…
Plasma liquid interactions are important for a range of applications. For these, H$_2$O$_2$ and OH represent two key reactive species, whose concentrations in liquids need to be controlled for effective application outcomes. Here, a…
Advancements in differential pumping and electron optics over the past few decades have enabled x-ray photoelectron spectroscopy (XPS) measurements at (near-)ambient pressures, bridging the pressure gap for characterizing realistic sample…