Title Enhancement of efficiency of perovskite solar cells with hole-selective layers of rationally designed thiazolo[5,4-d]thiazole derivatives /
Authors Dabuliene, Asta ; Shi, Zhong-En ; Leitonas, Karolis ; Lung, Chien-Yu ; Volyniuk, Dmytro ; Kaur, Khushdeep ; Matulis, Vitaly ; Lyakhov, Dmitry ; Michels, Dominik ; Chen, Chih-Ping ; Grazulevicius, Juozas Vidas
DOI 10.1021/acsami.4c04105
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Is Part of ACS Applied materials and interfaces.. Washington : American Chemical Society. 2024, vol. 16, iss. 23, p. 30239-30254.. ISSN 1944-8244. eISSN 1944-8252
Keywords [eng] indoor harvesting, hole-selective materials ; perovskite ; solar cell ; thiazolo[5,4-d]thiazole
Abstract [eng] We introduce thiazolo[5,4-d]thiazole (TT)-based derivatives featuring carbazole, phenothiazine, or triphenylamine donor units as hole-selective materials to enhance the performance of wide-bandgap perovskite solar cells (PSCs). The optoelectronic properties of the materials underwent thorough evaluation and were substantially fine-tuned through deliberate molecular design. Time-of-flight hole mobility TTs ranged from 4.33 × 10-5 to 1.63 × 10-3 cm2 V-1 s-1 (at an electric field of 1.6 × 105 V cm-1). Their ionization potentials ranged from -4.93 to -5.59 eV. Using density functional theory (DFT) calculations, it has been demonstrated that S0 → S1 transitions in TTs with carbazolyl or ditert-butyl-phenothiazinyl substituents are characterized by local excitation (LE). Mixed intramolecular charge transfer (ICT) and LE occurred for compounds containing ditert-butyl carbazolyl-, dimethoxy carbazolyl-, or alkoxy-substituted triphenylamino donor moieties. The selected derivatives of TT were used for the preparation of hole-selective layers (HSL) in PSC with the structure of glass/ITO/HSLs/Cs0.18FA0.82Pb(I0.8Br0.2)3/PEAI/PC61BM/BCP/Ag. The alkoxy-substituted triphenylamino containing TT (TTP-DPA) has been demonstrated to be an effective material for HSL. Its layer also functioned well as an interlayer, improving the surface of control HSL_2PACz (i.e., reducing the surface energy of 2PACz from 66.9 to 52.4 mN m-1), thus enabling precise control over perovskite growth energy level alignment and carrier extraction/transportation at the hole-selecting contact of PSCs. 2PACz/TTP-DPA-based devices showed an optimized performance of 19.1 and 37.0% under 1-sun and 3000 K LED (1000 lx) illuminations, respectively. These values represent improvements over those achieved by bare 2PACz-based devices, which attained efficiencies of 17.4 and 32.2%, respectively. These findings highlight the promising potential of TTs for the enhancement of the efficiencies of PSCs.
Published Washington : American Chemical Society
Type Journal article
Language English
Publication date 2024
CC license CC license description