Enhancement of Efficiency of Perovskite Solar Cells with Hole-Selective Layers of Rationally Designed Thiazolo[5,4-d]thiazole Derivatives

被引：8

作者：

Dabuliene, Asta ^{[1
]}

Shi, Zhong-En ^{[2
,3
]}

Leitonas, Karolis ^{[1
]}

Lung, Chien-Yu ^{[2
,3
]}

Volyniuk, Dmytro ^{[1
]}

Kaur, Khushdeep ^{[1
]}

Matulis, Vitaly ^{[4
]}

Lyakhov, Dmitry ^{[5
]}

Michels, Dominik ^{[5
]}

Chen, Chih-Ping ^{[2
,3
,6
,7
]}

Grazulevicius, Juozas Vidas ^{[1
]}

机构：

[1] Kaunas Univ Technol, Dept Polymer Chem & Technol, LT-51423 Kaunas, Lithuania

[2] Ming Chi Univ Technol, Dept Mat Engn, New Taipei City 243, Taiwan

[3] Ming Chi Univ Technol, Organ Elect Res Ctr, New Taipei City 243, Taiwan

[4] Belarusian State Univ, Minsk 220030, BELARUS

[5] 4700 King Abdullah Univ Sci & Technol, Comp Elect & Math Sci & Engn Div, Thuwal 239556900, Saudi Arabia

[6] Chang Gung Univ, Coll Engn, Taoyuan City 33302, Taiwan

[7] Chang Gung Univ, Ctr Sustainabil & Energy Technol, Taoyuan City 33302, Taiwan

来源：

ACS APPLIED MATERIALS & INTERFACES | 2024年 / 16卷 / 23期

基金：

欧盟地平线“2020”;

关键词：

solar cell; perovskite; thiazolo[5,4-d]thiazole; indoor harvesting; hole-selective materials; PERFORMANCE;

D O I：

10.1021/acsami.4c04105

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

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 x 10(-5) to 1.63 x 10(-3) cm(2) V-1 s(-1) (at an electric field of 1.6 x 10(5) 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/Cs(0.18)FA(0.82)Pb(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.

引用

页码：30239 / 30254

页数：16