Early-stage analysis of PET – fullerene derivatives for electron transport in photovoltaics

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL
Milica Đapović, Katarina Cvetanović, Vojislava Poštić, Vladislav Jovanov, Marko V. Bošković, Christos Polyzoidis, Nikolaos Tzoganakis, Konstantinos Rogdakis, Emmanuel Kymakis, Veselin Maslak and Aleksandra Mitrović
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Abstract

In the pursuit of sustainable materials for solar cell technologies, this work presents a new class of electron transport layers (ETLs) based on PET-derived monomers and dimers hybridized with fullerene C60. These hybrids were synthesized via selective cyclopropane and furan functionalization and thoroughly characterized using electrochemical, optical, and morphological methods. Compared to the benchmark material PCBM, several PET–fullerene derivatives exhibited improved properties, including enhanced substrate coverage, stronger electron-blocking behaviour, and favourable energy level alignment. Compound 5 emerged as the most promising ETL candidate, demonstrating a smooth, pinhole-free morphology (RMS = 1.15 nm), high charge transfer resistance (Rct = 8.63 × 104 Ω), and a relatively high apparent donor density (Nd = 2.21 × 1021 cm−3). While the absolute ND values may be influenced by film morphology, the comparative analysis confirms superior performance of compound 5. These results indicate that PET–fullerene hybrids, especially compound 5, offer both environmental and functional advantages as next-generation ETL materials.

Abstract Image

光电中电子输运的PET -富勒烯衍生物的早期分析
为了追求太阳能电池技术的可持续材料,本研究提出了一类基于pet衍生单体和二聚体与富勒烯C60杂化的新型电子传输层(ETLs)。这些杂化物是通过选择性环丙烷和呋喃功能化合成的,并通过电化学、光学和形态学方法对其进行了全面的表征。与基准材料PCBM相比,几种pet -富勒烯衍生物表现出更好的性能,包括增强的衬底覆盖率、更强的电子阻挡行为和有利的能级排列。化合物5是最有希望的ETL候选者,表现出光滑,无小孔的形貌(RMS = 1.15 nm),高电荷转移电阻(Rct = 8.63 × 10⁴ Ω)和相对较高的表观供体密度(Nd = 2.21 × 10²¹ cm⁻³)。虽然绝对Nd值可能受到薄膜形貌的影响,但对比分析证实化合物5的性能更优。这些结果表明,pet -富勒烯杂化物,特别是化合物5,作为下一代ETL材料具有环境和功能优势。
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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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