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"Unité de Physico-Chimie et de Physique des Matériaux" (PCPM), Louvain-la-Neuve, Belgium
The research activity at the Unité de Physico-Chimie et de Physique des Matériaux (PCPM) lab includes both experimental and simulation tools in various fields of Materials Science. It is primarily focused on novel solid state phenomena that are determined by small dimensions (at the level of the nanometer) and surfaces and interfaces. The lab has a recognized expertise in materials modelling and simulation from first-principles (ab initio) calculations to empirical techniques, including molecular dynamics, relying on high performance and parallel computing. In recent years, PCPM researches focused on the chemical functionalization of carbon-based nanomaterials, especially carbon nanotubes. For the Nano2hybrids project, PCPM will focus on theoretical calculations of gas-CNT interactions, metal-CNT interactions and gas sensor (CNT-metal) simulations. Modelling of these effects on graphene flat sheet will be a prerequisite.
Personnel involved in the project
Dr. Zeila ZanolliInstitute: PCPM LLN Latest posts: |
Prof. Jean-Christophe CharlierInstitute: PCPM LLN Role in project: Modeling and theoretical calculations Latest posts: |
