Based on a tight binding model combined with a nonadiabatic dynamics approach, we theoretically investigate the exciton intrachain transport in conjugated polymers with different interchain packing configurations. We construct two different interchain packing configurations, i.e. linear and exponential forms, and simulate the dynamical processes of the exciton transport in these systems. We find that, in both cases, there exists a distribution of driving force for exciton transport, which stems from the gradient of the exciton creation energy along the chains. This finding enriches the picture of exciton transport in polymers and provides a new idea to improve the exciton transport length in polymeric photovoltaic devices.
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http://dx.doi.org/10.1039/c5cp01689d | DOI Listing |
J Phys Chem Lett
January 2025
Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States.
Exciton condensation, the Bose-Einstein-like condensation of quasibosonic particle-hole pairs, has been the subject of much theoretical and experimental interest and holds promise for ultraenergy-efficient technologies. Recent advances in bilayer systems, such as transition metal dichalcogenide heterostructures, have brought us closer to the experimental realization of exciton condensation without the need for high magnetic fields. In this perspective, we explore progress toward understanding and realizing exciton condensation, with a particular focus on the characteristic theoretical signature of exciton condensation: an eigenvalue greater than one in the particle-hole reduced density matrix, which signifies off-diagonal long-range order.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
LPHE-MS, Faculty of Science, Mohammed V University in Rabat, Morocco.
This study explores the optoelectronic and photovoltaic potential of acceptor-π-donor (A-π-D) architectures utilizing CSi quantum dots (CSiQDs) through a combination of density functional theory (DFT) and time-dependent DFT (TDDFT). We examined two key structural configurations: C-C and Si-C conformers. In these systems, CSiQDs serve as the acceptor, CHSF as the π-bridge, and 3 × (CHO) as the donor.
View Article and Find Full Text PDFAdv Mater
January 2025
MOE Key Laboratory of Macromolecular Synthesis and Functionalization, International Research Center for X Polymers, Department of Polymer Science and Engineering, Zhejiang University, Hangzhou, 310027, China.
2D Dion-Jacobson (DJ) chiral perovskite materials exhibit significant promise for developing high-performance circularly polarized light (CPL) photodetectors. However, the inherently thick nature of DJ-phase 2D perovskite single crystal limits their ability to differentiate CPL photons with the two opposite polarization states. In addition, the growth of DJ-phase perovskite single crystal thin films (SCTFs) has proven challenging due to the strong interlayer electronic coupling.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Key Laboratory of Luminescence and Optical Information, Beijing Jiaotong University, Ministry of Education, Beijing 100044, China.
Quasi-two-dimensional (quasi-2D) mixed-halide perovskites are a requisite for their applications in highly efficient blue perovskite light-emitting diodes (PeLEDs) owing to their strong quantum confinement effect and high exciton binding energy. The pace of quasi-2D blue PeLEDs is hindered primarily by two factors: challenges in precisely managing the phase distribution and defect-mediated nonradiative recombination losses. Herein, we utilize 2,2-diphenylethylamine (DPEA) with bulky steric hindrance to disturb the assembly process of a slender spacer host cation, 4-fluorophenylethylammonium (-F-PEA), enhancing phase distribution management in quasi-2D PeLEDs.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
MOE Key Laboratory of Macromolecular Synthesis and Functionalization, State Key Laboratory of Silicon and Advanced Semiconductor Materials, Department of Polymer Science and Engineering, Zhejiang University, Hangzhou 310027, P. R. China.
Organic solar cells have seen significant progress in the past 2 decades with power conversion efficiencies (PCEs) exceeding 20% but mostly based on high-cost photovoltaic materials. Polythiophenes (PTs) without a fused-ring structure are good candidates as low-cost donor materials, deserving more attention for studying. In this work, ester-substituted thiazole (E-Tz) was explored as the electron-withdrawing unit to design PTs, and further optimization on the fluorinated/nonfluorinated donor segment contents via copolymerization strategy was simultaneously performed, yielding polymer donors of PTETz-100F, PTETz-80F, and PTETz-0F.
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