Dopant‐Free Hole Transport Material Based on Non‐Covalent Interaction for Efficient Perovskite Solar Cells DOI Open Access

Junhong Tan,

Jin Zhang, Hao Sun

et al.

Small, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 21, 2024

Abstract Hole transport materials (HTMs) have a critical impact on the performance of perovskite solar cells (PSCs). Especially, dopant‐free HTMs could avoid usage hygroscopic dopants and reduce costs, which are important for device stability. Most current organic polycyclic aromatic hydrocarbons‐based planar conjugated structures. Yet, synthesis fused heterocycles is often complicated. In this work, intramolecular non‐covalent interaction introduced to construct two (DCT DTC), can be facilely obtained through simple reactions. Compared DTC with hexyl chain central benzene ring, DCT hexyloxy chains shows better planarity in core structure, as result interactions between oxygen sulfur atom adjacent thiophene, reflected from its single crystal structure. Moreover, pristine state decent hole mobility comparable doped Spiro‐OMeTAD. Ultimately, conventional devices using HTM show high efficiency 22.50%, excellent long‐term stability, light thermal The results that noncovalent useful design strategy HTMs, effectively improve stability PSCs.

Language: Английский

Unraveling the Role of Electron‐Withdrawing Molecules for Highly Efficient and Stable Perovskite Photovoltaic DOI Creative Commons
Xiaoqing Jiang,

Kaiwen Dong,

P. Li

et al.

Angewandte Chemie International Edition, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 7, 2024

Electron-withdrawing molecules (EWMs) have exhibited remarkable efficacy in boosting the performance of perovskite solar cells (PSCs). However, underneath mechanisms governing their positive attributes remain inadequately understood. Herein, we conducted a comprehensive study on EWMs by comparing 2,2'-(2,5-cyclohexadiene-1,4-diylidene) bismalononitrile (TCNQ) and (2,3,5,6-tetrafluoro-2,5-cyclohexadiene-1,4-diylidene) dimalononitrile (F4TCNQ) employed at perovskite/hole transport layer (HTL) interfaces. Our findings reveal that simultaneously enhance chemical passivation, interface dipole effect, chemically binding to HTL. Notably, F4TCNQ, with its superior electron-withdrawing properties, demonstrates more pronounced impact. Consequently, PCSs modified F4TCNQ achieved an impressive power conversion efficiency (PCE) 25.21 %, while demonstrating excellent long-term stability. Moreover, PCE larger-area module (14.0 cm

Language: Английский

Citations

4
Theoretical simulation and experimental research of fluorine-substituted carbazole-diphenylamine derivatives as hole transport materials for perovskite solar cells DOI
Xin Chen, Jiayi Qi, Fei Wu

et al.

Applied Surface Science, Journal Year: 2024, Volume and Issue: unknown, P. 161907 - 161907

Published: Nov. 1, 2024

Language: Английский

Citations

2
Tailoring Diversified Peripheral Anchor Groups in Spirofluorene‐Dithiolane‐Based Hole Transporting Materials for Efficient Organic and Perovskite Solar Cells from First‐Principle DOI
Rida Fatima,

Nabeel Shahzad,

Tahreem Fatima

et al.

Advanced Theory and Simulations, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 17, 2024

Abstract This quantum mechanical approach recommends push–pull molecular engineering to fabricate hole‐transporting materials (HTMs) for photovoltaic cells. It integrates acceptor moieties via thiophene fluorene core, resulting in five novel HTMs (SFD‐1 SFD‐5). The results exhibit that derivative show excellent coherence excitation, dispersion, and transportation of charge carriers, ensuring robust hole mobility. anchor functionalized unveil band alignment with perovskite fitting HOMO energy levels (−4.93–−5.35 eV), less optical absorption visible portion ( < 520). integration has improved the mobility derivatives, accredited smaller reorganization (0.14–0.68 greater transfer integral (0.22–0.33 eV). transition density matrix analysis exhibited electronic coupling, subtler carrier overlapping length (7.48–13.73 Å). resulted an upsurge intrinsic transference (70.75–92.70%) exciton binding energy, leading easier dissociation, fewer recombination fatalities. However, adequate variation dipole moment (4.04 D 16.34 D) Gibbs solvation‐free (−18.06 −21.89 kcal mol −1 ) ensures facile film formation processability. In conclusion, this these flourene‐based are highly desireable forthcoming solar cell technology.

Language: Английский

Citations

1
Interface engineering by module customization of π-conjugated groups in hole transport materials for perovskite solar cells: theoretical simulation and experimental characterization DOI
Jiayi Qi, Chengyu Wu, Ruiqin Wang

et al.

Dyes and Pigments, Journal Year: 2024, Volume and Issue: unknown, P. 112464 - 112464

Published: Sept. 1, 2024

Language: Английский

Citations

1
Unraveling the Role of Electron‐Withdrawing Molecules for Highly Efficient and Stable Perovskite Photovoltaic DOI Creative Commons
Xiaoqing Jiang,

Kaiwen Dong,

P. Li

et al.

Angewandte Chemie, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 7, 2024

Abstract Electron‐withdrawing molecules (EWMs) have exhibited remarkable efficacy in boosting the performance of perovskite solar cells (PSCs). However, underneath mechanisms governing their positive attributes remain inadequately understood. Herein, we conducted a comprehensive study on EWMs by comparing 2,2′‐(2,5‐cyclohexadiene‐1,4‐diylidene) bismalononitrile (TCNQ) and (2,3,5,6‐tetrafluoro‐2,5‐cyclohexadiene‐1,4‐diylidene) dimalononitrile (F4TCNQ) employed at perovskite/hole transport layer (HTL) interfaces. Our findings reveal that simultaneously enhance chemical passivation, interface dipole effect, chemically binding to HTL. Notably, F4TCNQ, with its superior electron‐withdrawing properties, demonstrates more pronounced impact. Consequently, PCSs modified F4TCNQ achieved an impressive power conversion efficiency (PCE) 25.21 %, while demonstrating excellent long‐term stability. Moreover, PCE larger‐area module (14.0 cm 2 ) based reached 21.41 %. This work illuminates multifaceted interfaces PSCs, delivering pivotal insights pave way for sophisticated design strategic application EWMs, thereby propelling advancement photovoltaic technology.

Language: Английский

Citations

0
Dopant‐Free Hole Transport Material Based on Non‐Covalent Interaction for Efficient Perovskite Solar Cells DOI Open Access

Junhong Tan,

Jin Zhang, Hao Sun

et al.

Small, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 21, 2024

Abstract Hole transport materials (HTMs) have a critical impact on the performance of perovskite solar cells (PSCs). Especially, dopant‐free HTMs could avoid usage hygroscopic dopants and reduce costs, which are important for device stability. Most current organic polycyclic aromatic hydrocarbons‐based planar conjugated structures. Yet, synthesis fused heterocycles is often complicated. In this work, intramolecular non‐covalent interaction introduced to construct two (DCT DTC), can be facilely obtained through simple reactions. Compared DTC with hexyl chain central benzene ring, DCT hexyloxy chains shows better planarity in core structure, as result interactions between oxygen sulfur atom adjacent thiophene, reflected from its single crystal structure. Moreover, pristine state decent hole mobility comparable doped Spiro‐OMeTAD. Ultimately, conventional devices using HTM show high efficiency 22.50%, excellent long‐term stability, light thermal The results that noncovalent useful design strategy HTMs, effectively improve stability PSCs.

Language: Английский

Citations

0