The organic solar cells of heterojunction system, ITO/PEDOT:PSS/P3HT:PCBM/Al, with a thermal annealing after deposition of Al exhibit better performance than those with an annealing process before deposition of Al. In this study, ultrafast time-resolved spectroscopy is employed to reveal the underlying mechanism of annealing effects on the performance of P3HT:PCBM solar cell devices. The analyses of all decomposed relaxation processes show that the postannealed devices exhibit an increase in charge transfer, in the number of separated polarons and a reduction in the amount of recombination between excited carriers. Moreover, the longer lifetime for the excited carriers in postannealed devices indicates it is more likely to be dissociated into photocarriers and result in a larger value for photocurrent, which demonstrates the physical mechanism for increased device performance.
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J Chem Theory Comput
January 2025
HUN-REN Wigner Research Centre for Physics, P.O. Box 49, H-1525 Budapest, Hungary.
The assessment of electronic structure descriptions utilized in the simulation of the ultrafast excited-state dynamics of Fe(II) complexes is presented. Herein, we evaluate the performance of the RPBE, OPBE, BLYP, B3LYP, B3LYP*, PBE0, TPSSh, CAM-B3LYP, and LC-BLYP (time-dependent) density functional theory (DFT/TD-DFT) methods in full-dimensional trajectory surface hopping (TSH) simulations carried out on linear vibronic coupling (LVC) potentials. We exploit the existence of time-resolved X-ray emission spectroscopy (XES) data for the [Fe(bmip)] and [Fe(terpy)] prototypes for dynamics between metal-to-ligand charge-transfer (MLCT) and metal-centered (MC) states, which serve as a reference to benchmark the calculations (bmip = 2,6-bis(3-methyl-imidazole-1-ylidine)-pyridine, terpy = 2,2':6',2″-terpyridine).
View Article and Find Full Text PDFNano Lett
January 2025
Regensburg Center for Ultrafast Nanoscopy (RUN) and Department of Physics, University of Regensburg, 93040 Regensburg, Germany.
Detecting electromagnetic radiation scattered from a tip-sample junction has enabled overcoming the diffraction limit and started the flourishing field of polariton nanoimaging. However, most techniques only resolve amplitude and relative phase of the scattered radiation. Here, we utilize field-resolved detection of ultrashort scattered pulses to map the dynamics of surface polaritons in both space and time.
View Article and Find Full Text PDFNat Commun
December 2024
Department of Physics and Astronomy, Seoul National University, Seoul, 08826, Korea.
Fermi polarons are emerging quasiparticles when a bosonic impurity immersed in a fermionic bath. Depending on the boson-fermion interaction strength, the Fermi-polaron resonances exhibit either attractive or repulsive interactions, which impose further experimental challenges on understanding the subtle light-driven dynamics. Here, we report the light-driven dynamics of attractive and repulsive Fermi polarons in monolayer WSe devices.
View Article and Find Full Text PDFJ Phys Chem Lett
December 2024
Molecular Spectroscopy Laboratory, RIKEN, 2-1 Hirosawa Wako, Saitama 351-0198, Japan.
[Pt(NCN)MeCN] (NCN = 1,3-di(2-pyridyl)benzene, MeCN = acetonitrile) forms oligomers in the ground state due to metallophilic interactions, and a Pt-Pt bond is formed with photoexcitation. Ultrafast excited-state dynamics of the [Pt(NCN)MeCN] dimer in acetonitrile is investigated by femtosecond time-resolved absorption (TA) and picosecond emission spectroscopy. The femtosecond TA signals exhibit 60 cm oscillations arising from the Pt-Pt stretching motion in the S dimer.
View Article and Find Full Text PDFPhys Chem Chem Phys
December 2024
Laser Research Center, Vilnius University, Saulėtekio av. 10, LT-10223, Lithuania.
Pyrano[2,3-]pyrazole derivatives are a class of compounds exhibiting dual solvent-dependent fluorescence. This interesting and potentially useful optical property is attributed to the excited state intramolecular proton transfer (ESIPT). We have investigated excited state dynamics of these molecules in detail using femtosecond time-resolved fluorescence and transient absorption spectroscopy.
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