Foto del docente

Elisabetta Venuti

Full Professor

Department of Industrial Chemistry "Toso Montanari"

Academic discipline: CHIM/02 Physical Chemistry


Research projects

  • Temperature- and pressure-induced phase transitions in molecular crystals
  • Lattice Dynamics calculations of structural and dynamical properties of molecular crystals
  • Car-Parrinello Molecular Dynamics simulations of complex systems
  • High-pressure chemical and physical transformations in molecular systems
  • Organic superconductors
  • Organic semiconductors
  • Solid state photochemistry

Systems studied

  • Low dimensional molecular crystals
  • Organic superconductors (BEDT-TTF based salts)
  • Charge-transfer crystals
  • Oligoacenes, oligothiophenes, TTF derivatives
  • Organic semiconductors
  • Glasses and polydispersed systems

Research keywords include:

  • Lattice Dynamics
  • Classical and Car-Parrinello Molecular Dynamics simulations
  • Structural and dynamical properties of molecular crystals
  • Temperature- and pressure-induced phase and chemical transformations  in condensed phases.

The research interests of our group (the Solid State group at the Dpt. of Physical Chemistry and Inorganic of Bologna University) cover a wide variety of systems, including solids, liquids, glasses, organic and biological molecules. These systems are characterized by interactions between large numbers of atomic or molecular components, which lead to qualitatively new cooperative behaviour at the macroscopic scales.

Experimental techniques such as UV, visible and Raman spectroscopic methods, together with X-ray measurements, allow the investigation of very interesting problems. The effects of temperature or pressure may be studied with cryostats or diamond anvil cells (DAC). The phenomena which can be observed with these techniques include phase transitions, chemical and photo-chemical reactions.

The research aims to the detailed understanding of the phenomena at a microscopic level; this requires the development of models and methods capable of reproducing the observations and of predicting the properties of a material. Computational techniques such as Molecular Dynamics (MD), Monte Carlo (MC), Quasi-Harmonic Lattice Dynamics (QHLD), Integral Equations (IE) and the recent ab-initio simulations (Car-Parrinello) are among the most promising theoretical methods.

The integration of experimental and theoretical methods in the same research group, and the numerous collaborations with other groups, yield a range of investigations that span from fundamental questions concerning phase transitions and ordering, to the properties of isolated molecules, biological systems, Van der Waals complexes, liquids, glasses, molecular and atomic crystals, ceramic and organic superconductors

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