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Understanding the Morphology of High-performance Solar Cells Based on a Low Cost Polymer Donor
摘要： A low cost and high performance bulk heterojunction (BHJ) solar cell comprising an emerging polymer donor, poly[(thiophene)-alt-(6,7-difluoro-2-(2-hexyldecyloxy)quinoxaline)] (PTQ10), shows an efficiency of 12.7%. To improve performance of the solar cells, a better understanding of the structure-property relationships of the PTQ10-based devices is crucial. Here, we fabricate PTQ10/nonfullerene and fullerene BHJ devices, including PTQ10/IDIC, PTQ10/ITIC, and PTQ10/PC71BM, processed with or without thermal annealing and additive, provide detailed descriptions of the relationships between the morphology and performance. PTQ10 is found to be highly miscible with nonfullerene IDIC and ITIC acceptors, and poorly miscible with fullerene PC71BM acceptors. Thermal annealing promotes the crystallization of PTQ10 and phase separation of all PTQ10/IDIC, PTQ10/ITIC, and PTQ10/PC71BM devices, leading to an increased power conversion efficiencies (PCE) of the PTQ10/IDIC and PTQ10/ITIC devices but a decreased PCE of PTQ10/PC71BM devices with 1,8-di-iodooctane (DIO) additive. Without thermal annealing, DIO greatly improves the morphology of PTQ10/PC71BM, leading to a higher PCE. The results show that the degree of phase separation and ordering in the PTQ10-based devices significantly influence device performance. The morphology-property correlations demonstrated will assist in the rational design of this low cost polymer donor based solar cells to achieve even higher performance.
关键词： morphology,phase separation,polymer solar cells,miscibility,crystallization
更新于2025-09-19 17:13:59
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A bromine and chlorine concurrently functionalized end group for benzo[1,2-b:4,5-b']diselenophene-based nonfluorinated acceptors: new hybrid strategy to balance the crystallinity and miscibility of blend films enabling highly efficient polymer solar cells
摘要： A bromine and chlorine concurrently functionalized end group for nonfluorinated benzo[1,2-b:4,5-b']diselenophene-based acceptors: new hybrid strategy to balance the crystallinity and miscibility of blend films enabling highly efficient polymer solar cells. Dihalogenated 1,1-dicyanomethylene-3-indanone (IC) plays a key role in top-performing fused-ring electron acceptors (FREAs)-based polymer solar cells (PSCs). Here, we firstly synthesized a hybrid dihalogenated IC (IC-BrCl), which simultaneously grafted one Br atom and one Cl atom onto the same IC skeleton. Three nonfluorinated FREAs (BDSe-4Cl, BDSe-2(BrCl) and BDSe-4Br) are synthesized by employing benzo[1,2-b:4,5-b′]diselenophene-based core unit and dichlorinated IC, hybrid dihalogenated IC (IC-BrCl), and dibrominated IC for highly efficient PSCs, respectively. These three acceptors exhibit very similar absorption spectra with 1.39 eV of optical band gap, but slightly different in the HOMO/LUMO energy levels in thin films. The crystallinity of acceptors was progressively enhanced and miscibility with PM7 was gradually reduced with the increase of Br atoms. The BDSe-2(BrCl):PM7 blend films exhibited the strongest face-on crystallization orientation, the most proper phase separation feature, the highest and most balanced carrier mobility and the weakest charge recombination owing to the excellent balance of miscibility and crystallinity of blend film. Notably, BDSe-2(BrCl):PM7-based PSCs demonstrated an outstanding PCE of 14.5% with an impressive FF of 76.5%, which substantially outperformed its counterparts (13.8% for BDSe-4Cl, 13.2% for BDSe-4Br, respectively) and is the highest value in hybrid IC-based FREAs for binary PSCs. Our results demonstrated that hybrid dihalogenated IC with one Br atom and one Cl atom provide a promising strategy to tune crystallinity and miscibility of FREAs for boosting the FF and PCE of PSCs.
关键词： crystallinity,nonfluorinated acceptors,polymer solar cells,miscibility,hybrid dihalogenated IC
更新于2025-09-16 10:30:52
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Interfacial Engineering of fullerenol using thiophene for solution processable solar cell: Effect of thiophenated fullerene on the miscibility with poly(3-hexylthiophene)
摘要： Current state of the art plastic solar cells utilise halogenated solvents which pose processing challenges due to their toxicity and thus environmental hazards. In this work, we investigate alternative materials which are processable using environmentally friendly solvents. Specifically, we investigate the use of water-soluble materials. Fullerenol, due to the presence of hydroxyl groups, can be functionalised by esterification using reagents such as acid chlorides. In this contribution, we studied the effect of thiophene substituents on the miscibility of fullerenol and P3HT. The chemical modification on fullerene did not alter the electrochemical property of fullerene which makes it suitable for acceptor applications for organic solar cells.
关键词： Miscibility,Fullerenol,Poly(3-hexylthiophene),Interface
更新于2025-09-12 10:27:22
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Molecular Modeling of CO2 and n-Octane in Solubility Process and α-Quartz Nanoslit
摘要： After primary and secondary oil recovery, CO2-enhanced oil recovery (EOR) has become one of the most mentioned technologies in tertiary oil recovery. Since the oil is confined in an unconventional reservoir, the interfacial properties of CO2 and oil are different from in conventional reservoirs, and play a key role in CO2 EOR. In this study, molecular dynamics simulations are performed to investigate the interfacial properties, such as interfacial tension, minimum miscibility pressure (MMP), and CO2 solubility. The vanishing interfacial tension method is used to get the MMP (~10.8 MPa at 343.15 K) which is in agreement with the reported experimental data, quantitatively. Meanwhile, the diffusion coefficients of CO2 and n-octane under different pressures are calculated to show that the diffusion is mainly improved at the interface. Furthermore, the displacement efficiency and molecular orientation in α-quartz nanoslit under different CO2 injection ratios have been evaluated. After CO2 injection, the adsorbed n-octane molecules are found to be displaced from surface by the injected CO2 and, then, the orientation of n-octane becomes more random, which indicates that and CO2 can enhance the oil recovery and weaken the interaction between n-octane and α-quartz surface. The injection ratio of CO2 to n-octane is around 3:1, which could achieve the optimal displacement efficiency.
关键词： molecular dynamics simulation,CO2-enhanced oil recovery,minimum miscibility pressure,α-quartz pore,n-octane
更新于2025-09-04 15:30:14