Molecular Understanding of Thermo-Electric Properties in Organic Polymers

• Applicant: Professor Dr. Daniele Fazzi
• Subject Area: Experimental and Theoretical Physics of Polymers ; Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry ; Theoretical Chemistry: Electronic Structure, Dynamics, Simulation ; Theoretical Chemistry: Molecules, Materials, Surfaces
• Term: from 2017 to 2021
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 379848660

• Final Report Year: 2022

No abstract available

Publications

• “A Chemically Doped Naphthalenediimide-Bithiazole Polymer for n-Type Organic Thermoelectrics”. Adv. Mater., 2018, 30, 1801898
  S. Wang, H. Sun, T. Erdmann, G. Wang, D. Fazzi, U. Lappan, Y. Puttisong, Z. Chen M. Berggren, X. Crispin, A. Kiriy , B. Voit, T. J. Marks, S. Fabiano and A. Facchetti
  
• “Probing Exciton Delocalization in Organic Semiconductors: Insight from Time-Resolved Electron Paramagnetic Resonance and Magnetophotoselection Experiments”. J. Phys. Chem. Lett., 2018, 9, 7026-7031
  D. Meyer, R. Matsidik, D. Fazzi, M. Sommer, T. Biskup
  
• "Effect of Backbone Regiochemistry on Conductivity, Charge Density, and Polaron Structure of n-Doped Donor-Acceptor Polymers". Chem. Mater., 2019, 31, 3395-3406
  S. Wang, D. Fazzi, Y. Puttisong, M. J. Jafari, Z. Chen, T. Ederth, J. W. Andreasen, W. M. Chen, A. Facchetti, and S. Fabiano
  
• "Polarons in π-conjugated ladder-type polymers: a broken symmetry density functional description”. J. Mater. Chem. C., 2019, 7, 12876-12885
  D. Fazzi, S. Fabiano, T.-P. Ruoko, K. Meerholz, F. Negri
  
• “Microstructural control suppresses thermal activation of electron transport at room temperature in polymer transistors”. Nature Communications, 2019, 10, 3365
  A. Luzio, F. Nübling, J. Martin, D. Fazzi, P Selter, E. Gann, C. R. McNeill, M. Brinkmann, M. Ryan Hansen, N. Stingelin, M. Sommer, M. Caironi
  
• “Ground-state electron transfer in all-polymer donor-acceptor heterojunctions”. Nature Materials, 2020, 19, 738-744
  K. Xu, H. Sun, T.-P. Ruoko, G. Wang, R. Kroon, N. B. Kolhe, Y. Puttisong, X. Liu, D. Fazzi, K. Shibata, C.-Y. Yang, N. Sun, G. Persson, A. B. Yankovich, E. Olsson, H. Yoshida, W. M. Chen, M.Fahlman, M. Kemerink, S. A. Jenekhe, C. Müller, M. Berggren, S. Fabiano
  
• “Guiding Charge Transport in Semiconducting Carbon Nanotube Networks by Local Optical Switching”. ACS Appl. Mater. Interfaces, 2020,12, 25, 28392-28403
  M. Brohmann, S. Wieland, S. Angstenberger, N. J. Herrmann, J. Lüttgens, D. Fazzi, and Jana Zaumseil
  
• “Impact of the Interfacial Molecular Structure Organization on the Charge Transfer State Formation and Exciton Delocalization in Merocyanine:PC61BM Blends”. J. Phys. Chem. C, 2020, 124, 21978-21984
  K. Budzinauskas, D. Fazzi, D. Hertel, S. Rüth, J. Scheiter, P. Weitkamp, S. Diesing, K. Meerholz, and P.H.M. van Loosdrecht
  
• “Radical Anion Yield, Stability and Electrical Conductivity of Naphthalene Diimide Copolymers n-Doped with Tertiary Amines”. ACS Applied Polymer Materials, 2020, 2, 5, 1954-1963
  S. B. Schmidt, M. Hönig, Y. Shin, M. Cassinelli, A. Perinot, M. Caironi, X. Jiao, C. R. McNeill, D. Fazzi, T. Biskup and M. Sommer
  
• “Size-selected polyynes synthesised by submerged arc discharge in water”. Chem. Phys. Lett., 2020, 740, 137054
  S. Peggiani, A. Senis, A. Facibeni, A. Milani, P. Serafini, G. Cerrato, A. Lucotti, M. Tommasini, D. Fazzi, C. Castiglioni, V. Russo, A. Li Bassi, C. S. Casari
  
• “Addressing the Elusive Polaronic Nature of Multiple Redox States in a n-Conjugated LadderType Polymer”. Adv. Electron. Mater., 2021, 7, 2000786
  D. Fazzi, F. Negri
  
• “Impact of Fluoroalkylation on the N-Type Charge Transport of Two Naphthodithiophene Diimide Derivatives”. Molecules 2021, 26(14), 4119 (Special Issue Computational Design and Modelling of Organic Materials for Energy Applications)
  G. Ricci, S. Canola, Y. Dasi, D. Fazzi, F. Negri
  
• “Understanding the structural and charge transport property relationships for a variety of merocyanine single-crystals: a bottom up computational investigation”. J. Mater. Chem. C 2021, 9, 10851-10864
  N. Gildemeister, G. Ricci, L. Boehner, J. M. Neudooerfl, D. Hertel, F. Wuerthner, F. Negri, K. Meerholz and D. Fazzi
  
• “On the Origin of Seebeck Coefficient Inversion in Highly Doped Conducting Polymers”. Adv. Funct. Mater. 2022, 2112276
  K. Xu, T.-P. Ruoko, M. Shokrani, D. Scheunemann, H. Abdalla, H. Sun, C.-Y. Yang, Y. Puttisong, N.h B. Kolhe, J. S. M. Figueroa, J. O. Pedersen, T. Ederth, W. M. Chen, M. Berggren, S. A. Jenekhe, D. Fazzi, M. Kemerink, S. Fabiano