10592 - Physical Chemistry of Materials

Learning outcomes

The course aims to describe the molecular origins of some relevant properties of  materials, focussing on soft materials like liquid crystals, polymers, colloids etc. In particular we shall discuss the relation between molecular structure and macroscopic properties using computer simulation techniques and some important techniques for the characterization of the structure and dynamics of advanced materials.

Course contents

 

The course aims to describe the molecular origins of some relevant properties of  materials, focussing on soft materials like liquid crystals, polymers, colloids etc. In particular we shall discuss the relation between molecular structure and macroscopic properties using computer simulation techniques and some important techniques for the characterization of the structure and dynamics of advanced materials. The outline of the course is:

-           The molecular organization of the various phases of matter and materials and its rationalization in terms of positional and orientational order. Typical properties of crystals, liquid crystals, micelles, liposomes, Langmuir Blodgett films, polymers, colloids, nanoporous materials and, for each type of material, some examples of modern applications, e.g. liquid crystal displays, special optical filters, elastomeric actuators.  Phase transitions and phase diagrams in bulk and nanoconfined  systems.

-           Interaction between molecules and between colloidal particles. The effect of interaction type and range on the different types of aggregation states. Empirical potentials: hard spheres, partially adhesive spheres, Lennard-Jones. Some important electrostatic interactions (charge, dipolar, quadrupolar). Dispersive interactions. Examples from molecular and colloidal systems. Molecular mechanics.

-           An introduction to the Computer Simulation of condensed phases. The Monte Carlo and Molecular Dynamics methods and their implementation (flow chart, equilibration, boundary conditions etc.). The application to the simulation of various materials and their phase transformation will be presented.

-           Dielectric characterization of materials and their relation to molecular properties. Dielctric constant and dispersion and their frequency dependence (from low to microwave frequencies). Elements of Linear Response theory. Cole-Cole plots. Examples of applications to  various materials.

Materials for Organic Electronics and their applications. Semiconductors, transistors, Organic Field Effect Transistors (FET), Light Emitting Diodes (LED), Solar Cells.

Readings/Bibliography

Handouts of the powerpoint slides (in English) will be made available before each set of lectures. The handouts containt enough material for preparing the final exam.

Teaching methods

Lectures with video-projector and blackboard

Assessment methods

A final oral exam. Reports on the practicals will also be collected and marked.

Teaching tools

The course will be based on lectures, using video-projector and blackboard. Practicals, mainly on computer modelling and simulations will also be organized.

Links to further information

http://www2.fci.unibo.it/~bebo/z/

Office hours

See the website of Claudio Zannoni