Finite size effects on the lattice dynamics - the study of gold nano-particles

The opportunity of analysing finite size and other topological effects on the vibrational density of states (VDOS) remains unattainable with conventional techniques based on neutron or x-ray inelastic scattering. It is only the combination of inelastic, deep inelastic neutron scattering together with neutron diffraction which opens the way here. The TOSCA experiment, proposed here, is a part of of a global study, using VESUVIO spectrometer (for the benchmarking of the partial VDOS and nuclear kinetic energy) and GEM difractometer (in the total neutron diffraction mode) with the aim to perform a critical appraisal of the structure-dynamics relations of gold nano-particles. The topology-induced changes in the VDOS of gold nanoparticles will be measured as a function of their size and local binding. The results will be benchmarked against ab initio density functional theory simulations.