Schlosser, Anja Meyer, Lea C. Lübkemann, Franziska Miethe, Jan F. Bigall, Nadja C.
Published in
Physical Chemistry Chemical Physics
Semiconductor nanoparticle based porous 3D assemblies are interesting materials for various applications in the fields of photovoltaics, catalysis, or optical sensing. For use as photoelectrodes in photoelectrochemical sensors they need to be characterised by a high porosity, a good photostability, and a high charge carrier mobility. Our work repor...
Jungblut, Swetlana Joswig, Jan-Ole Eychmüller, Alexander
Published in
Physical Chemistry Chemical Physics
We simulated irreversible aggregation of non-interacting particles and of particles interacting via repulsive and attractive potentials explicitly implementing the rotational diffusion of aggregating clusters. Our study confirms that the attraction between particles influences neither the aggregation mechanism nor the structure of the aggregates, w...
Avagliano, Davide Sánchez-Murcia, Pedro A. González, Leticia
Published in
Physical Chemistry Chemical Physics
The binding mechanism of the protonated open form of three spiropyran derivatives into a 12-mer (poly-dAT)2 has been unveiled by means of computational methods. It is found that the electrostatic term in the probe:DNA binding energy, modulates the binding mode, providing new guidelines for the design of spiropyran photoswitches with specific bindin...
Quijano Velasco, Pablo Porfyrakis, Kyriakos Grobert, Nicole
Published in
Physical Chemistry Chemical Physics
The surface energy based solubility parameters theory was applied to model the degree of polystyrene-functionalisation of MWCNTs in six different organic solvents. The experimental characterization of the polymer-functionalized MWCNTs is consistent with the predictions of this model providing a breakthrough towards the rational design of functional...
Zhivonitko, Vladimir V. Bresien, Jonas Schulz, Axel Koptyug, Igor V.
Published in
Physical Chemistry Chemical Physics
Metal-free H2 activations are unusual but interesting for catalytic transformations, particularly in parahydrogen-based nuclear spin hyperpolarization techniques. We demonstrate that metal-free singlet phosphorus biradicaloid, [P(μ-NTer)]2, provides pronounced 1H and 31P hyperpolarization while activating the parahydrogen molecules. A brief analysi...
Bruder, Lukas Eisfeld, Alexander Bangert, Ulrich Binz, Marcel Jakob, Max Uhl, Daniel Schulz-Weiling, Markus Grant, Edward R. Stienkemeier, Frank
Published in
Physical Chemistry Chemical Physics
Long-range interparticle interactions are revealed in extremely dilute thermal atomic ensembles using highly sensitive nonlinear femtosecond spectroscopy. Delocalized excitons are detected in the atomic systems at particle densities where the mean interatomic distance (>10 μm) is much greater than the laser wavelength and multi-particle coherences ...
Hong-Hui Wu Qiangqiang Meng He Huang C. T. Liu Xun-Li Wang
Published in
Physical Chemistry Chemical Physics
Fayet, Guillaume Minisini, Benoit Rotureau, Patricia FAYET, Guillaume
Published in
Physical Chemistry Chemical Physics
Machon, Denis Mélinon, Patrice
Published in
Physical Chemistry Chemical Physics
Below a critical particle size, some pressurized compounds (e.g. TiO2, Y2O3, PbTe) undergo a crystal-to-amorphous transformation instead of a polymorphic transition. This effect reflects the greater propensity of nanomaterials for amorphization. In this work, a panorama of thermodynamic interpretations is given: first, a descriptive analysis based ...
Hong-Hui Wu Jiaming Zhu Tong-Yi Zhang
Published in
Physical Chemistry Chemical Physics
