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Daniele Fazzi's foto

Daniele Fazzi

Post Doc

IIT@POLIMI


Phone +39 02 2399 3383

Bio

Born in S. Angelo Lodigiano (LO) the 3th August 1982

Education
:

2007 - 2010 PhD degree in Materials Engineering (cum Laude) at Politecnico di Milano, thesis title: “Modeling of charge transport properties and photoinduced processes in organic conjugated materials

2005 - 2006 Master degree (Laurea) in Materials Engineering (110/110 cum Laude) at Politecnico di Milano, thesis title: “Modellistica teorica delle proprietà vibrazionali ed elettroniche di una nuova classe di materiali monodimensionali a base di carbonio: le poliine.

2003 - 2004 Bachelor degree (Laurea Triennale) in Materials Engineering at Politecnico di Milano, thesis title: “Studio della risposta ottica non lineare di molecole con elettroni π delocalizzati, in presenza di intensi campi elettrici

Research activities:

Simulation and prediction of physico-chemical properties in organic materials (small molecules/polymers). In particular the structure-property relationships are deeply studied for organic compounds developed and used in various opto-electronic applications.

1) Charge transport phenomena: the quantum corrected Marcus-Levich-Jortner theory was applied to study the charge transport mechanisms and to predict the charge carrier mobility in bulk organic electronic devices, evaluating the fundamental parameters as the reorganization energy λ and the charge transfer integrals Vij. Thermal and disorder effects are also considered.

2) Photoinduced processes such as i) exciton formation, ii) exciton transport and iii) dissociation at the organic heterojunction interfaces are modeled by studying the excited states for organic compounds, both at the ZINDO/S, CI and TDDFT level.

3) Exciton states in crystalline organic compounds are studied in the framework of the Frenkel Hamiltonian, evaluating the exciton coupling integrals J and the density of exciton states (DOS), predicting both the absorption spectra of solid crystalline samples and the exciton mobility.

4) Simulation of vibrational (IR and Raman) and electronic (UV-Vis and PL spectra) spectra of conjugated molecules in different condensed phases (from solution to solid state films or aggregates).

Born in S. Angelo Lodigiano (LO) the 3th August 1982

Education
:

2007 - 2010 PhD degree in Materials Engineering (cum Laude) at Politecnico di Milano, thesis title: “Modeling of charge transport properties and photoinduced processes in organic conjugated materials

2005 - 2006 Master degree (Laurea) in Materials Engineering (110/110 cum Laude) at Politecnico di Milano, thesis title: “Modellistica teorica delle proprietà vibrazionali ed elettroniche di una nuova classe di materiali monodimensionali ...

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Selected Publications

1. Spectroscopic Investigation of Oxygen- and Water-Induced Electron Trapping and Charge Transport Instabilities in ntype Polymer Semiconductors
R. Di Pietro, D. Fazzi, T. B. Kehoe, and H. Sirringhaus
J. Am. Chem. Soc., 2012, 134 (36), pp 14877–14889
 
2. “Effects of Polymer Packing Structure on Photoinduced Triplet Generation and Dynamics
A. Petrozza, D. Fazzi, I. Avilov, D. Beljonne, R. H. Friend, J.S. Kim
J. Phys. Chem. C, 2012, dx.doi.org/10.1021/jp2104215.

3. “Ultrafast Internal Conversion in a Low Band Gap Polymer for Photovoltaics: Experimental and Theoretical Study”
D. Fazzi ,  G. Grancini,  M. Maiuri,  D. Brida, G. Cerullo and G. Lanzani
Phys. Chem. Chem. Phys., 2012, 14, 6360 – 6367.

4. “Quantum-Chemical Insights into the Prediction of Charge Transport Parameters for a Naphthalenetetracarboxydiimide-Based Copolymer with Enhanced Electron Mobility”
D. Fazzi, M. Caironi, and C. Castiglioni
J. Am. Chem. Soc., 2011, 133, 19056–19059 (Communication).

5. “Optical Modulation of Amplified Emission in a Polyfluorene-Diarylethene Blend”
S.Perissinotto, M. Garbugli, D. Fazzi, C. Bertarelli, M.Carvelli, A.R. Srimath Kandada, Z. Yue, K.S. Wong, G. Lanzani
Chem.Phys.Chem., 2011, 12, 3619-3623.

6. “Bent polyynes: ring geometry studied by Raman and IR spectroscopy”
A. Lucotti, M. Tommasini, W. A. Chalifoux, D. Fazzi, G. Zerbi and R. R. Tykwinski
J. of Raman Spectroscopy, 2011, DOI: 10.1002/jrs.2992.

7. “A computational investigation on singlet and triplet exciton couplings in acene molecular crystals”
C. Quarti, D. Fazzi, M. Del Zoppo
Phys. Chem. Chem. Phys., 2011, 13, 18615.

8. "Very Low Degree of Energetic Disorder as the Origin of High Mobility in an n-channel Polymer Semiconductor"
M. Caironi, M. Bird, D. Fazzi, Z. Chen, R. Di Pietro, C. Newman, A. Facchetti, H. Sirringhaus
Adv. Funct. Mater., 2011, 21, 3371.

9.  Transient Absorption Imaging of P3HT:PCBM Photovoltaic Blend: Evidence For Interfacial Charge Transfer State
G. Grancini, D. Polli, D. Fazzi, J. Cabanillas-Gonzalez, G. Cerullo, and G. Lanzani
J. Phys. Chem. Lett., 2011, 2, 1099–1105.

10.   "Photogenerated cumulenic structure of adamantyl endcapped linear carbon chains: An experimental and computational investigation based on IR spectroscopy"

M. M. Yildizhan, D. Fazzi, A. Milani, L. Brambilla, M. Del Zoppo, W. A. Chalifoux,R. R. Tykwinski, and G Zerbi
J. Chem. Phys., 2011, 134, 124512.

11.   "Modulation of the Electronic Structure of Polyconjugated Organic Molecules by Geometry Relaxation: a Discussion Based on Local Raman Parameters"
C. Castiglioni, A. Milani, D. Fazzi, and F. Negri
J. Mol. Struc., 2011, 993, 26-37.

12.   “Biradicaloid and Polyenic Character of Quinoidal Oligothiophenes Revealed by the Presence of a Low-Lying Double-Exciton State
S. Di Motta, F. Negri, D. Fazzi, C. Castiglioni, and E. V. Canesi
J. Phys. Chem. Lett., 2010, 1, 3334.

13.   “Biradicaloid Character of Thiophene Based Heterophenoquinones from a Combined Experimental and Theoretical Investigation: the Role of Electron-Phonon Coupling”
D. Fazzi, E. V. Canesi, F. Negri, C. Bertarelli, and C. Castiglioni
Chem. Phys. Chem.
, 2010, 11, 3685.


14.   “A density matrix based approach for studying excitons in organic crystals”
C. Quarti, D. Fazzi, M. Tommasini
Chemical Physics Letters
, 2010, 496, 284.


15.   “Enhancing the light driven modulation of the refractive index in organic photochromic materials: A quantum chemical strategy”
N. Adami, D. Fazzi, A. Bianco, C. Bertarelli, C. Castiglioni
Journal of Photochemistry and Photobiology A: Chemistry
, 2010, 214, 61.


16.   Toward carbyne: Synthesis and stability of really long polyynes
R. R. Tykwinski, W. Chalifoux, S. Eisler, A. Lucotti, M. Tommasini, D. Fazzi, M. Del Zoppo, and G. Zerbi
Pure Appl. Chem., 2010, 82, 891.


17.   Resistive Memories Based on Rose Bengal and Related Xanthene Derivatives: Insights from Modeling Charge Transport Properties
D. Fazzi, C. Castiglioni and F. Negri
Phys. Chem. Chem. Phys.
, 2010, 12, 1600.

18.   Raman spectroscopic characterization of a thiophene based active material for resistive organic nonvolatile memories
D. Fazzi, E. V. Canesi, C. Bertarelli, C. Castiglioni, F. Negri and G. Zerbi
J. Raman Spectrosc., 2010, 41, 406–413

19.   sp Carbon chain interaction with silver nanoparticles probed by Surface Enhanced Raman Scattering
A. Lucotti, C.S. Casari, M. Tommasini, A. Li Bassi, D. Fazzi, V. Russo, M. Del Zoppo, C.Castiglioni, F. Cataldo, C.E. Bottani, G. Zerbi
Chem. Phys. Lett., 2009, 478, 45.


20.   Resisitive molecular memories: influence of the molecular parameters on the electrical bistability
S. Di.
Motta, E. Di Donato, F. Negri, G. Orlandi, D. Fazzi and C. Castiglioni
J. Am.
Chem. Soc., 2009, 131, 6591.

21.   Evidence For Solution-State Bending of sp-Carbon Chains Based on IR and Raman Spectroscopy: Violation of Mutual Exclusion
A. Lucotti, M. Tommasini, D. Fazzi, M. Del Zoppo, W. A. Chalifoux, M. J. Ferguson, G. Zerbi and R. R. Tykwinski
J. Am. Chem. Soc., 2009, 131, 4239.


22.   Structure and Electrical Bistability of a New Class of Diphenyl-bithiophenes: A Combined Theoretical and Experimental Study
D. Fazzi, C. Castiglioni.
F. Negri, C. Bertarelli, A. Famulari, S. V. Meille, G. Zerbi
J. Phys. Chem. C., 2008, 112, 18628.

23.   Low frequency modes in the Raman spectrum of sp-sp2 nanostructured carbon
C. S. Casari, A. Li Bassi, A. Baserga, L. Ravagnan, P. Piseri, C. Lenardi, M. Tommasini, A. Milani, D. Fazzi, C. E. Bottani, P. Milani
Physical Review B., 2008, 77, 195444.

24.   First Principle Calculations of the Peierls Distorsion in an Infinite Linear Carbon Chain: the contribution of Raman Spctroscopy
A. Milani, M. Tommasini, D. Fazzi, C. Castiglioni, M. Del Zoppo and G. Zerbi
J. Raman Spec., 2008, 39, 164.

25.   Modeling Phonons of Carbon Nanowires
M. Tommasini, A. Milani, D. Fazzi, M. Del Zoppo, C. Castiglioni and G. Zerbi
Physica E, 2008, 40, 2570.

26.   Effective hamiltonian for p electrons in linear carbon chains
M. Tommasini, D. Fazzi, A. Milani, M. Del Zoppo, C. Castiglioni, G. Zerbi
Chem. Phys. Lett., 2007, 450, 86.

27.   Intramolecular Vibrational Force Field for Linear Carbon Chains through an Adaptative Linear Scaling Scheme
M. Tommasini, D. Fazzi, A. Milani, M. Del Zoppo, C. Castiglioni and G. Zerbi
J. Phys. Chem. A, 2007, 111, 11645.

28.   “Long Range Vibrational Interactions in Linear Carbon Chains”
A. Milani, D. Fazzi, M. Tommasini, M. Del Zoppo, C. Castiglioni and G. Zebi,

Research Activities on High Performance Computing Cluster at CILEA
(dicembre 2006).

1. Spectroscopic Investigation of Oxygen- and Water-Induced Electron Trapping and Charge Transport Instabilities in ntype Polymer Semiconductors
R. Di Pietro, D. Fazzi, T. B. Kehoe, and H. Sirringhaus
J. Am. Chem. Soc., 2012, 134 (36), pp 14877–14889
 
2. “Effects of Polymer Packing Structure on Photoinduced Triplet Generation and Dynamics
A. Petrozza, D. Fazzi, I. Avilov, D. Beljonne, R. H. Friend, J.S. Kim
J. Phys. Chem. C, 2012, dx.doi.org/10.1021/jp2104215.

3. “Ultrafast Internal Conversion ...

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