TRNM VII continues the "Towards Reality in Nanoscale Materials" series. The workshop will be focused on, but not limited to, two-dimensional systems, with thematic sessions on:
Graphene - emphasis will be placed on studying the interface of graphene with both adsorbed/deposited nano-objects and underlying substrates. Due to their importance in nano-electronics applications, a key topic will be the interface of graphene with oxide substrates.
Energy materials - focused on the application of nanoscale investigative techniques, particularly first principles modelling in energy-related research. Including photovoltaics, batteries, supercapacitors, fuel cells, hydrogen technologies, thermoelectrics, photo- and nanocatalysis, solar power technologies, magnetic refrigeration, and piezoelectric materials.
Defects - studies of doped and irradiated interfaces and the resultant defect structures. Beyond just studying and understanding the properties of defects and impurities, we wish to explore avenues of atomic scale control: charging; optical excitation; mechanical manipulation. This direction leads to the possibility of tailoring the electronic structure of nanoscale interfaces.
Transport - studies of the migration of defects, impurities and electrons across interfaces.
Methods - application of first principles methods to atomistic modeling of non-ideal nanoscale materials. Including advanced approaches for studying excited states and very large systems, and the limits of accuracy in electronic structure calculations.
Multiscale - approaches to link first principles calculations to larger scale methods, such as kinetic Monte Carlo.
The workshop consists of invited and contributed talks as well as posters. Invited and contributed speakers will cover the recent progress in simulations and the relevant experimental areas.