ORGANIC PHOTOVOLTAICS
Extended models for polar interfaces in bulk heterojunctions, balance of excitonic and charge transfer states
Methods: second-order algebraic construction (ADC(2)) and TD-DFT using long-range corrected functionals
Collaboration partners: Itamar Borges, Jr. (Instituto Militar de Engenheria, Rio de Janeiro, Brazil), Sergei Tretiak (Los Alamos National Laboratory, USA), Adélia Aquino (Texas Tech University, Texas, USA)
Organic photovoltaics: Excitons and Charge Transfer
Hans Lischka and Miklos Kertesz
Poly(thieno[3,4-b]thiophene benzodithiophene) (PTB1)/C60
I. Borges, Jr, A. J. A. Aquino, A. Köhn, R. Nieman, W. L. Hase, L. X. Chen and H. Lischka
J. Am. Chem. Soc. 135 (2013) 18252-18255
Electron density difference for charge transfer state
Larger models
R. Nieman, H. Tsai, W. Nie, A. J. A. Aquino, A. D. Mohite, S. Tretiak, H. Li, H. Lischka
Nanoscale 10(2018) 451
