Nanocouples or nanoparticles (NP) are aggregates ranging from a few to thousands of atoms of one or more species. The behavior of matter at the nanometric scale (1-100 nm) is different from its macroscopic volume behavior. The structural, dynamic and electronic properties are substantially modified, which has important consequences on the physical and chemical properties of these systems. In addition to the size, the variation of the composition, for example, in the so-called bimetallic nanoparticles or nano alloys, can regulate the surface properties of the same. The relative stability of these aggregates is determined by competition between packing and surface effects. Furthermore, when NPs are deposited on substrates, their interaction can also dramatically modify their surface properties, including their interaction with molecules. This opens the way for a wide variety of current and potential applications.
At IFUNAM, these physical systems are studied in theoretical terms through mechanical-quantum calculations that allow us to explain how their physicochemical properties vary with size, shape, composition and interaction with substrates, and eventually predict their behavior in areas such as catalysis. From the experimental point of view, the interactions of molecules and their transformation in the surface of nanoparticles deposited on active substrates (heterogeneous analysis) are studied using model reactions for protection of the environment and the production of clean fuels.
