相关论文: Structure Determination of Disordered Metallic Sub…
To describe long-range behaviour of one particle removed from a few- or a many-body system, a hyperspherical cluster model has been developed. It has been applied to the ground and first excited states of helium drops with five, six, eight…
We present a quantum Monte Carlo study of the solvation and spectroscopic properties of the Mg doped helium clusters MgHe$_n$ with $n=2-50$. Three high level (MP4, CCSD(T) and CCSDT) MgHe interaction potentials have been used to study the…
Disorder and defective coordination in the catalytic plane are crucial for enhancing the Hydrogen Evolution Reaction (HER) on two-dimensional catalysts. Amorphous materials are disordered, making them catalytically adaptive for many…
We introduce the transition-density formalism, an efficient and general method for calculating the interaction of external probes with light nuclei. One- and two-body transition densities that encode the nuclear structure of the target are…
Alumina ultrathin films obtained by high temperature oxidation of a Ni$_3$Al (111) surface are a good template to grow regular arrays of metal clusters. Up to now two hexagonal organizations called 'dot' and 'network' structures have been…
This much revised and shortened PhD thesis contains many ideas that I could not follow up on, like self destructing beams in scattering cells, the depletion enhancing Wittig tube, ionic seeding via beta-decay foil or Langmuir-Taylor…
We report a kinetic Monte Carlo modeling study of nanocrystal layer sintering. Features that are of interest for the dynamics of the layer as a whole, especially the morphology of the evolving structure, are considered. It is found that the…
Using the embedded-atom method, the structure of small copper clusters on Au(111) electrodes has been investigated both by static and dynamic calculations. By varying the size of roughly circular clusters, the edge energy per atom is…
Magnetic diffractive scattering of coherent metastable helium atomic beams from CoO(001) surfaces reveal the presence of an anomalous enhancement in the intensity of the half-order antiferromagnetic diffraction peak over the temperature…
In this work, we report the growth of a single mixed Bi$_{1-x}$Sb$_x$ layer, with diverse stoichiometries, on a Ag(111) substrate. The atomic geometry has been thoroughly investigated by low energy electron diffraction, scanning tunneling…
Kinetic Monte Carlo approach is developed to study aspects of sintering of dispersed nanoparticles of bimodal size distributions. We explore mechanisms of neck development when sintering is initiated at elevated temperatures for nanosize…
The growth of ultra-thin layers of Fe on the vicinal Pt(997) surface is studied by thermal energy He atom scattering (TEAS) and Auger electron spectroscopy (AES) in the temperature range between 175K and 800K. We find three distinct regimes…
In alloys exhibiting substitutional disorder, the variety of atomic environments manifests itself as a `disorder broadening' in their core level binding energy spectra. Disorder broadening can be measured experimentally, and in principle…
Results of Small-Angle Scattering study of diamonds with various types of point and extended defects and different degrees of annealing are presented. It is shown that thermal annealing and/or mechanical deformation cause formation of…
The deposition of one silicon monolayer on Ag(111) gives rise to a set of superstructures depending on growth conditions. These superstructures are correlated to the epitaxy between the honeycomb structure of silicon (so called silicene)…
Stable and metastable metallic nanoparticles exhibit unique properties compared to the bulk, with potentially important applications for catalysis. This is in particular the case for the AgPt alloy that can exhibit the ordered L1$_1$…
A microscopic version of the Continuum Discretized Coupled Channel (CDCC) method is used to investigate $^{6}$He scattering on $^{27}$Al, $^{58}$Ni, $^{120}$Sn, and $^{208}$Pb at energies around the Coulomb barrier. The $^{6}$He nucleus is…
We predict general trends for surface segregation in a binary metal cluster based on the difference between the atomic properties of the constituent elements. Considering the attractive and repulsive contributions of the cohesive energy of…
Small angle neutron and x-ray scattering methods are used to investigate the structure of dilute suspensions of two different ferrofluid systems dispersed in soft polyacrylamide hydrogels. It is found that the particles in the fluid are…
We studied the low temperature (T<130K) growth of Ag on Si(001) and Si(111) flat surfaces prepared by Si homo epitaxy with the aim to achieve thin metallic films. The band structure and morphology of the Ag overlayers have been investigated…