Gabriele D’Avino



Career Sketch

I received the PhD in Materials Science at the University of Parma (Italy) with Prof. Anna Painelli in 2010 with a thesis entitled “Cooperativity from charge transfer, phonons and electrostatic interactions in functional molecular materials”. I then joined the group of Prof. Claudio Zannoni at the University of Bologna (Italy) for a three-year postdoc focused on the multiscale modelling of organic semiconductors and their interfaces for electronic and photovoltaic applications.

From October 2013 I reached the nanomat group with the support of BE-IPD-COFUND grant for the development of the research project “Theoretical Investigations of Multifunctional Molecular Materials”. Here, in collaboration with Prof. Matthieu Verstraete, I combine density functional theory and model Hamiltonians to study the microscopic origin of ferroelectricity and magnetism (multiferroicity) in molecular charge-transfer complexes.


Research Interests

  • Structural and electronic instabilities in strongly correlated molecular crystals, and their implications on ferroelecticity and magnetism (multiferroicity).
  • Conventional, quantum and photo-induced phase transitions in multistable or switchable molecular materials (charge transfer and spin-crossover systems).
  • Supramolecular organization in bulk organic semiconductors and at their interfaces, and its relationship to electronic and optical properties.
  • Cooperative interactions and environmental effects in molecular functional materials.
  • Vibrational and optical properties of multichromoforic systems and their collective excitations.


Favourite Publications (full list)

  • G. D’Avino, M.J. Verstraete, Are Hydrogen-Bonded Charge Transfer Crystals Room Temperature Ferroelectrics?, Physical Review Letters 113, 237602 (2014).
  • G. D’Avino, S. Mothy, L. Muccioli, C. Zannoni, L. Wang, J. Cornil, D. Beljonne and F. Castet, Energetics of Electron−Hole Separation at P3HT/PCBM Heterojunctions, J. Phys. Chem. C 117, 12981 (2013).
  • J. Cornil, S. Verlaak, N. Martinelli, A. Mityashin, Y. Olivier, T. Van Regemorter, G. D’Avino, L. Muccioli, C. Zannoni, F. Castet, D. Beljonne, P. Heremans, Exploring the energy landscape of the charge transport levels in organic semiconductors at the molecular scale, Accounts of Chemical Research 46, 434 (2013).
  • L. Muccioli, G. D’Avino, C. Zannoni, Simulation of vapor-phase deposition and growth of a thin film of pentacene on C60(001), Advanced Materials 23, 453 (2011).
  • G. D’Avino, M. Masino, A. Girlando, A. Painelli, Correlated electrons in soft lattices: Raman scattering evidence of the nonequilibrium dielectric divergence at the neutral-ionic phase transition, Phys. Rev. B 83, 161105R (2011).
  • G. D’Avino, L. Grisanti, J. Guasch, I. Ratera, J. Veciana, A. Painelli, Bistability in Fc-PTM Crystals: The Role of Intermolecular Electrostatic Interactions, J. Am. Chem. Soc 130, 12064 (2008).
  • G. D’Avino, A. Girlando, A. Painelli, M. H. Lemèe-Cailleau, Z.G. Soos, Anomalous dispersion of Optical Phonons at the Neutral-Ionic transition: Evidence from diffuse X-ray scattering, Phys. Rev. Lett. 99, 156407 (2007).

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