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取代基对PBDB-T分子光电性质的研究
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作者 王婧 于成云 +5 位作者 袁赫 赵美娟 李婷玉 王镛涵 冷霞 夏其英 《山东化工》 CAS 2023年第4期5-7,共3页
主要采用密度泛函理论研究氟和氯取代基对PBDB-T材料的键长、轨道能级和吸收光谱的影响。分析表明,氟原子取代时,分子结构比氯原子取代时的结构更稳定,取代位置也会影响分子结构的稳定性。氟原子取代基会导致吸收光谱的吸收峰发生红移。
关键词 有机太阳能电池 吸收光谱 苯并噻二唑
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Study the Effect of Thickness on the Performance of PM6:Y6 Organic Solar Using SCAPS Simulation
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作者 Nagwa Ibrahim Mohammed Ibrahim Amnah Mohammed Elharbi Abdulrahman Albadri 《Advances in Materials Physics and Chemistry》 CAS 2024年第4期55-65,共11页
In this study, organic solar cells (OSCs) with an active layer, a blend of polymer of non-fullerene (NFA) Y6 as an acceptor, and donor PBDB-T-2F as donor were simulated through the one-dimensional solar capacitance si... In this study, organic solar cells (OSCs) with an active layer, a blend of polymer of non-fullerene (NFA) Y6 as an acceptor, and donor PBDB-T-2F as donor were simulated through the one-dimensional solar capacitance simulator (SCAPS-1D) software to examine the performance of this type of organic polymer thin-film solar cell by varying the thickness of the active layer. PFN-Br interfacial layer entrenched in OPV devices gives overall enhanced open-circuit voltage, short-circuit current density and fill factor thus improving device performance. PEDOT: PSS is an electro-conductive polymer solution that has been extensively utilized in solar cell devices as a hole transport layer (HTL) due to its strong hole affinity, good thermal and mechanical stability, high work function, and high transparency in the visible range. The structure of the organic solar cell is ITO/PEDOT: PSS/BTP-4F: PBDB-T-2F/PFN-Br/Ag. Firstly, the active layer thickness was optimized to 100 nm;after that, the active-layer thickness was varied up to 900 nm. The results of these simulations demonstrated that the active layer thickness improves efficiency significantly up to 500 nm, then it decreased with increasing the thickness of the active layer from 600 nm, also notice that the short circuit current and the fill factor decrease with increasing the active layer from 600 nm, while the open voltage circuit increased with increasing the thickness of the active layer. The optimum thickness is 500 nm. 展开更多
关键词 Organic Solar Cells PEDOT:PSS BTP-4F (Y6) pbdb-t-2F (PM6) PFN-Br SCAPS 1D
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The effect of alkyl chain branching positions on the electron mobility and photovoltaic performance of naphthodithiophene diimide(NDTI)-based polymers
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作者 Jing Yang Ning An +5 位作者 Su Sun Xiangnan Sun Masahiro Nakano Kazuo Takimiya Bo Xiao Erjun Zhou 《Science China Chemistry》 SCIE EI CAS CSCD 2019年第12期1649-1655,共7页
Conjugated polymers are widely used in organic optoelectronic devices due to their solution processability, thermal stability and structural diversity. Generally, alkyl side chains must be utilized to increase the sol... Conjugated polymers are widely used in organic optoelectronic devices due to their solution processability, thermal stability and structural diversity. Generally, alkyl side chains must be utilized to increase the solubility of final polymers in the processing solvent. However, the effects of different type alkyl chains on the properties of n-type photovoltaic polymers have rarely been investigated. In this article, we synthesized three naphthodithiophene diimide(NDTI) based polymers containing bulky alkyl chains with different branching position, named as NDTI-1, NDTI-2 and NDTI-3, respectively. We systematically investigated the effect of different branching point on the molecular packing, charge transport and photovoltaic performance. When moving the branching point away from the backbone, the intermolecular interaction became stronger, which could be proved by 2D grazing incidence wide angle X-ray scattering(GIWAXS) measurement. Therefore, the electron mobilities in organic field-effect transistors gradually increased from 2.11×10-3 cm2 V/-1 s-1 for NDTI-1 to 4.70×10-2 cm2 V/-1 s-1 for NDTI-2 and 9.27×10-2 cm2 V/-1 s-1 for NDTI-3,which are quite high values for polymers with face-on orientation. In addition, the NDTI-2 and NDTI-3 thin films exhibited redshifted absorption spectra compared with NDTI-1. When blending with three classic donor polymers PBDB-T, PTB7-Th and PE61, NDTI-2 based devices always showed the higher power conversion efficiencies(PCEs) than the other two polymers(beside the comparable result of PTB7-Th:NDTI-3 combination) as a result of the high photocurrent response and high fill factor. Our results indicate that bulky alkyl chain with branching point at 2-position should be a good and safe choice for the design of naphthodithiophene diimide-based and even naphthalene diimide-based n-type photovoltaic polymers. 展开更多
关键词 all-polymer solar cells branching positions naphthodithiophene diimide(NDTI) pbdb-t PTB7-Th
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