RT Journal Article
T1 Unveiling the key role of aggregation in the self-doping of conjugated polyelectrolytes
A1 Muñoz-Alba, Fernando
A1 Soprani, Lorenzo
A1 Squeo, Benedetta Maria
A1 Pasini, Mariacecilia
A1 González-Núñez, Raúl
A1 Ponce Ortiz, Rocío
A1 Ruiz-Delgado, María del Carmen
A1 Muccioli, Luca
A1 Vercelli, Barbara
K1 Polielectrólitos
K1 Electrónica órganica
AB Conjugated polyelectrolytes (CPEs) are a distinct class of polymers that feature a π-conjugated backbone and pendant ionic groups, which confers them unique properties. In particular, since the discovery, during their purification in water, that some CPEs have the ability to be self-doped, they have attracted increasing interest from the organic electronics community. More recently, a self-acid doping mechanism was proposed after it was proven that the degree of doping can be modulated by the addition of an acid or a base. However, the explanation of both the self-doping and self-acid doping processes remains ambiguous, and their investigation continues to present significant challenges. In this work, we address the problem through a combination of experimental and computational techniques, including spectroscopy (UV–vis and Raman) and electrochemistry measurements in conjunction with DFT calculations and molecular dynamics simulations. We performed a comprehensive investigation into the self-doping mechanism of CPE-2K, poly [2,6-(4,4-bis-potassium butanylsulfonate-4H-cyclopenta-[2.1-b:3,4-b′] dithiophene)-alt-4,7-(2,1,3-benzothiazole)], and its homologue with only one alkyl ionic chain, CPE-K. Our findings point to a framework that integrates the self- and self-acid doping mechanisms into a unified one, in which backbone aggregation acts as the driving force.
PB American Chemical Society
YR 2026
FD 2026
LK https://hdl.handle.net/10630/44968
UL https://hdl.handle.net/10630/44968
LA eng
NO Chem. Mater. 2026, 38, 2, 808–818
NO Funding for open access charge: Universidad de Málaga / CBUA
DS RIUMA. Repositorio Institucional de la Universidad de Málaga
RD 1 mar 2026