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Using a density functional approach, we study structural and electronic properties of the 4H(0001)-SiC/SiO2 interface. Through the sequential use of classical and ab initio simulation methods, we generate an abrupt model structure which describes the trans ...
Nanoporous films of cryst. anatase with intended application in dye-sensitized photovoltaic cells were studied by NMR cryoporometry, NMR diffusiometry, electron microscopy, and x-ray diffraction. The nanoparticles from which the films were subsequently sin ...
Based on previous findings (Jans, U., Hoigne, J., 1998. Ozone Sci. Eng. 20, 67-87), the activity of activated carbon for the transformation of ozone into e OH radicals including the influence of operational parameters (carbon dose, ozone dose, carbon-type ...
Supported metal catalysts are important from both an industrial and a scientific point of view. They are used, amongst others, in large-scale processes such as catalytic reforming, hydrotreating, polymerization reactions and hydrogenations. Often, these ca ...
The elastic modulus of freely suspended graphene monolayers, obtained via chemical reduction of graphene oxide, was determined through tip-induced deformation experiments. Despite their defect content, the single sheets exhibit an extraordinary stiffness ( ...
Self-assembled monolayer-protected nanoparticles are promising candidates for applications, such as sensing and drug delivery, in which the molecular ligands' interactions with the surrounding environment play a crucial role. We recently showed that, when ...
Using first-principles calculations, we model the chemical vapor deposition (CVD) growth of carbon nanotubes (CNT) on nanoparticles of late-transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metals. The process is analyzed in terms of the binding of mono- an ...
Ultracapacitors, also called electrochemical double layer capacitors (EDLC) or supercapacitors, may improve the performance of conventional electrolytic capacitors in terms of specific energy, or improve the performance of rechargeable batteries in terms o ...
This report will focus on creation of nanostructured PDMS surfaces with tunable feature dimensions and periodicities, and the use of these surfaces to study the influence of nanotopography on cell-substrate interactions. The topography on surfaces is known ...
Through the sequential use of classical molecular dynamics and first-principles relaxation methods, we generate an abrupt model interface for the 4H(0001)SiC-SiO2 interface showing regular structural parameters without any coordination defect. The bond den ...