The main objective of the proposed COST Action is an increase of the fundamental understanding of the chemistry occurring at surfaces and interfaces. An interdisciplinary combined effort of chemists, physicists and engineers is a prerequisite for success. A fundamental approach is advocated, even for industrially oriented research projects. This requires precisely defined problems at all levels i.e. synthesis and preparation; measurement of properties; understanding properties at the atomic level and the overall properties of the systems. This increase in knowledge will lead to (1) new materials with predesigned properties, including new heterogeneous catalysts and new colloidal systems; (2) new synthesis methods; (3) new methods for characterisation of surfaces and interfaces at atomic and molecular resolution; (4) relationships between structure and composition of the surfaces/interfaces on one hand and their chemical/physical properties on the other hand; (5) atom-by-atom and molecule-by-molecule manipulation techniques for the synthesis of nanomaterials. B2: Sub-Topics 1.Synthesis The objective is to study and develop new synthesis: -synthesis of crystalline/amorphous materials with predesigned micro- and or mesopores and chemical composition. Role of the templating molecules, micelles, microemulsions, liquid crystals or vesicles; -intercalation of polymers and layered inorganic compounds; -arrangement of nanosized and microsized particles into Langmuir-Blodgett type films; -preparation of uniform nano-/micro- particles at surfaces, in cages and channels of inorganic materials, as colloidal systems; -formation of ordered structures by interaction between surfactant and polymers. 2.Theory -development of suitable potentials for molecular mechanics and molecular dynamics calculations of surface phenomena; -development of methods to include long range (structural) effects in the description of surface chemical phenomena by quantum chemical and density functional methods; -theoretical studies of reactivity and transition states: combination of quantum chemistry and statistical thermodynamics; -development of structure/composition – activity/selectivity relationships and expert systems. 3. Analysis -encourage “in situ” examination of surfaces, i.e. under real working conditions such as those prevailing in heterogeneous catalysis; -encourage application of spectroscopic techniques at various levels of resolution for direct observation of surfaces and dispersed systems; –develop methods for single particle/single molecule spectroscopy; -promote isotopic labelling and appropriate analysis techniques to unravel reaction mechanisms at surfaces; -identification of the active site under working conditions. 4.Advanced Materials -develop and understand novel chiral catalysts: chiral active centres, chirality transfer from the active centre to the reacting substrate molecule; -develop structure/composition – activity/selectivity relationships based on measurements of activity and surface properties of model heterogeneous catalysts; -heterogeneous supramolecular systems and chemistry; -development of membranes.
