- 标题
- 摘要
- 关键词
- 实验方案
- 产品
-
Enhanced photoluminescence and ultrahigh temperature sensitivity from NaF flux assisted CaTiO3: Pr3+ red emitting phosphor
摘要： The Pr3+ doped CaTiO3 red emitting phosphor with enhanced PL and ultrahigh temperature sensing was prepared via NaF flux assisted solid-state reaction. All samples had the orthorhombic perovskite phase and no impurity was found. The typical sample mainly had sphere-like morphology with particle size of ~670 nm. The optical bandgap values were ~3.62-3.63eV. The Pr3+ quenching content was 0.6 mol% and the ET mechanism for quenching was the d-d interaction with the critical distance of 26.09 ?. A certain amount of NaF flux could enhance red emission attributed to 1D2→3H4 transition owing to improving the crystallinity of phosphors and reducing point defects near Pr3+ through the substitution of O2- by F- and Ca2+ by Na+. The energy storage trap (oxygen vacancy) near IVCT state played the key role for trapping electrons, accounting for the LAG emission and the average depth of trap was 0.39 eV. The CIE chromaticity coordinates were very close to that of the ideal red light and the CP was as high as 99.98%. The maximal Sa and Sr was as high as ~0.015 K-1 and~ 5.2% K-1, respectively. The thermal induced relaxation between the 3Pj levels and 1D2 level through the IVCT state was supposed to account for the excellent optical temperature sensing. Our work may provide a useful inspiration for developing ultrahigh sensitive optical temperature sensors.
关键词： Praseodymium,Calcium titanate,Optical thermometry,Intervalence charge transfer state
更新于2025-09-23 15:23:52
-
Effect of intermolecular interaction on excited-state properties of thermally activated delayed fluorescence molecules in solid phase: A QM/MM study
摘要： Recently, thermally activated delayed fluorescence (TADF) molecules have attracted great attention since nearly 100% exciton usage efficiency was obtained in TADF molecules. Most TADF molecules used in organic light-emitting diodes are in aggregation state, so it is necessary to make out the intermolecular interaction on their photophysical properties. In this work, the excited-state properties of the molecule AI-Cz in solid phase are theoretically studied by the combined quantum mechanics and molecular mechanics (QM/MM) method. Our results show that geometry changes between the ground state (S0) and the first singlet excited state (S1) are limited due to the intermolecular π-π and CH-π interactions. The energy gap between S1 and the first triplet excited state is broadened and the transition properties of excited states are changed. Moreover, the Huang-Rhys factors and the reorganization energy between S0 and S1 are decreased in solid phase, because the vibration modes and rotations are hindered by intermolecular interaction. The non-radiative rate has a large decrease in solid phase which improves the light-emitting performance of the molecule. Our calculation provides a reasonable explanation for experimental measurements and highlights the effect of intermolecular interaction on excited-states properties of TADF molecules.
关键词： Hybridized local and charge transfer state,Thermally activated delayed fluorescence,Intermolecular interactions,QM/MM method
更新于2025-09-23 15:21:01
-
Tuning the hybridization of local exciton and chargea??transfer states in highly efficient organic photovoltaic cells
摘要： Decreasing the energy loss is one of the most feasible ways to improve the efficiencies of organic photovoltaic (OPV) cells. Recent studies have suggested that non-radiative energy loss (ΔEnr) is the dominant factor that hinders further improvements in state-of-the-art OPV cells. However, there is no rational molecular design strategy for OPV materials with suppressed ΔEnr. In this work, taking molecular surface electrostatic potential (ESP) as a quantitative parameter, we establish a general relationship between chemical structure and intermolecular interactions. The results reveal that increasing the ESP difference between donor and acceptor will enhance the intermolecular interaction. In the OPV cells, the enhanced intermolecular interaction will increase the charge transfer (CT) state ratio in its hybridization with local exciton to facilitate the charge generation but simultaneously result in a larger ΔEnr. These results suggest that finely tuning the ESP of OPV materials is a feasible method to further improve the efficiencies of OPV cells.
关键词： hybridization,charge transfer state,intermolecular interaction,organic photovoltaic cells,non-radiative energy loss
更新于2025-09-23 15:19:57
-
Geminate recombination in organic photovoltaic blend PCDTBT/PC <sub/>71</sub> BM studied by out-of-phase electron spin echo spectroscopy
摘要： The key process in organic solar cell operation is charge separation under light illumination. Due to the low dielectric constant of organic materials, the Coulomb attraction energy within the interfacial charge-transfer state (CTS) is larger than the thermal energy. Understanding the mechanism of charge separation at the organic donor/acceptor interface still remains a challenge and requires knowledge of the CTS temporal evolution. To address this problem, the CTS in the benchmark photovoltaic blend PCDTBT/PC71BM was studied by the out-of-phase Electron Spin Echo (ESE). The protocol for determining the CTS geminate recombination rate for certain electron-hole distances was developed. Simulating the out-of-phase ESE trace for the CTS in the PCDTBT/PC71BM blend allows precise determination of the electron-hole distance distribution function and its evolution with the increase in the delay after the laser flash. Distances of charge separation up to 6 nm were detected upon thermalization at a temperature of 20 K. Assuming the exponential decay of the recombination rate, the attenuation factor β = 0.08 ??1 is estimated for the PCDTBT/PC71BM blend. Such a low attenuation factor is probably caused by a high degree of hole delocalization along the PCDTBT chain.
关键词： PCDTBT/PC71BM blend,electron spin echo,geminate recombination,organic solar cells,charge transfer state
更新于2025-09-23 15:19:57
-
Delayed Fluorescence Emitter Enables Near 17% Efficiency Ternary Organic Solar Cells with Enhanced Storage Stability and Reduced Recombination Energy Loss
摘要： Charge transfer state (CT) plays an important role in exciton diffusion, dissociation, and charge recombination mechanisms. Enhancing the utilization and suppressing the recombination process of CT excitons is a promising way to improve the performance of organic solar cells (OSCs). Here, an effective method is presented via introducing a delayed fluorescence (DF) emitter 3,4-bis(4-(diphenylamino)phenyl) acenaphtho[1,2-b]pyrazine-8,9-dicarbonitrile (APDC-TPDA) in OSCs. The long-lifetime singlet excitons on APDC-TPDA can transfer to polymer donors to prolong exciton lifetime, which ensures sufficient time for diffusion and dissociation. Concurrently, the high triplet energy level (T1) of the DF material can also prevent the reverse energy transfer from CT to T1. APDC-TPDA-containing ternary OSCs shows a high PCE of 16.96% with a reduced recombination energy loss of 0.46 eV. It is noteworthy that the ternary OSC also exhibits superior storage stability. After 55 days of storage, the PCE of the ternary OSC still retains about 96% of its primitive state. Furthermore, this ternary strategy is efficient and universally applicable to OSCs, and positive results can be obtained in different systems with different DF emitters. These results indicate that the ternary strategy provides a new design idea to realize high performance OSCs.
关键词： delayed fluorescence,recombination energy loss,organic solar cells,charge transfer state,storage stabile solar cells
更新于2025-09-23 15:19:57
-
A novel hot exciton blue fluorophores and white organic light-emitting diodes with simplified configuration
摘要： The two efficient non-doped blue emitters with hybridized local and charge transfer state namely, NDBNPIN and DBTPIN have been synthesised and characterised. These materials are employed as a host for green and red phosphorescent OLEDs. The white device based on DBTPIN:Ir(MDQ)2(acac) (4%) exhibit maximum external quantum efficiency (ηex) ?24.8%; current efficiency (ηc) ?57.1 cdA?1; power efficiency (ηp) ?64.8 lmW?1 with Commission Internationale de l’Eclairage (CIE:0.49, 0.40) than NDBNPIN:Ir(MDQ)2acac (4%) device [ηex ? 23.1%; ηc ?54.6 cd A?1; ηp? 60.0 lm W?1 with CIE (0.47, 0.42)]. Development of blue emitter is crucial in organic light emitting devices (OLEDs) to reduce power consumption effectively1. For an OLED with stable emission the current efficiency (CE) is proportional to external quantum efficiency (?ex): power efficiency (PE) is determined by CE and operating voltage (V) [PE = π CE/V]2–4. Iridium and platinum based phosphorescent complexes and TADF (thermally activated delayed fluorescent materials) exhibit high ?ex, however, suffered with short lifetime and roll-off efficiency and also the production cost of phosphorescent materials are unfavourable for practical applications5. Therefore, low driving voltage with high brightness become the major issue to achieve efficient OLEDs6. In OLEDs, balanced hole: electron recombination leads to formation of CT exciton (charge-transfer) which undergo decay directly or relaxes to LE (local exciton), thus, utilization of both CT exciton and LE provides efficient EL (electroluminescence). From 4-(dicyanomethylene)-2-methyl-6-[4-(dimethylaminostyryl)-4H-pyran] with CT state maximum efficiency have been harvested7–9. Donor–acceptor (D–A) compounds with low % CT leads to RISC (reverse intersystem crossing) process which results high singlet utilisation efficiency(?s), however, colour-purity is still poor due to broadened PL (photoluminescence) and EL (electroluminescence) spectra10–13. D-A architecture with high % LE state leads to higher efficiency because of maximum orbital overlap whereas high % CT provides low efficiency due to partial hole and electron overlap. However, because of small energy splitting (ΔES-T ≈ 0) CT state undergo RISC process 11,12. These issues are overcome, by employing D–A configured emissive materials with results in enhanced ηs HLCT emissive state: stabilised LE and CT states results in ηPL(photoluminance efficiency) and high ηs.. Thus, construction of D–A emitters with HLCT emissive state is novel strategy to design efficient blue emitters.
关键词： hybridized local and charge transfer state,blue emitters,OLEDs,electroluminescence,phosphorescent
更新于2025-09-23 15:19:57
-
Achievement of Higha??Performance Nondoped Blue OLEDs Based on AIEgens via Construction of Effective Higha??Lying Chargea??Transfer State
摘要： There remains an urgent demand for high-quality blue luminogens that can simultaneously achieve high photoluminescence quantum yield (PLQY) in film and high exciton utilization efficiency (EUE) in the electroluminescence (EL) process. In this study, a referable molecular design strategy is developed for blue luminogens via constructing low-lying locally excited (LE) state with an aggregation-induced emission (AIE) characteristic and high-lying charge-transfer (CT) state for the effective triplet-to-singlet conversion channel. 2TriPE-BPI-MCN with the insertion of p-cyano and o-methyl groups is designed to compare with its matrix framework (2TriPE-BPI). They have analogous properties of the lowest singlet (S1) states with blue emission and free of concentration quenching in film; however, 2TriPE-BPI-MCN exhibits unusual response for hydrostatic pressure owing to its S2 state CT characteristics. Therefore, 2TriPE-BPI-MCN can harness more electrogenerated excitons than 2TriPE-BPI, resulting in a better EL performance in nondoped blue organic light-emitting diodes (OLEDs) (CIEx,y = 0.153, 0.147) with high external quantum efficiency of 4.6% and negligible efficiency roll-off. These findings could open a feasible avenue to develop high-quality blue luminogens for high-performance nondoped blue OLEDs.
关键词： organic light-emitting diodes,blue emission,hydrostatic pressure,aggregation-induced emission,charge-transfer state
更新于2025-09-19 17:13:59
-
Tuning the hybridization of local exciton and chargea??transfer states in highly efficient organic photovoltaic cells
摘要： Decreasing the energy loss is one of the most feasible ways to improve the efficiencies of organic photovoltaic (OPV) cells. Recent studies have suggested that non-radiative energy loss ( ) is the dominant factor that hinders further improvements in state-of-the-art OPV cells. However, there is no rational molecular design strategy for OPV materials with suppressed . In this work, taking molecular surface electrostatic potential (ESP) as a quantitative parameter, we establish a general relationship between chemical structure and intermolecular interactions. The results reveal that increasing the ESP difference between donor and acceptor will enhance the intermolecular interaction. In the OPV cells, the enhanced intermolecular interaction will increase the charge transfer (CT) state ratio in its hybridization with local exciton to facilitate the charge generation but simultaneously result in a larger . These results suggest that finely tuning the ESP of OPV materials is a feasible method to further improve the efficiencies of OPV cells.
关键词： hybridization,charge transfer state,intermolecular interaction,organic photovoltaic cells,non-radiative energy loss
更新于2025-09-19 17:13:59
-
Investigation on voltage loss in organic triplet photovoltaic devices based on Ir complexes
摘要： Voltage losses in singlet material-based organic photovoltaic devices (OPVs) have been intensively studied, whereas, only a few investigations on triplet material-based OPVs (T-OPVs) are reported. To investigate the voltage loss in T-OPVs, two homoleptic iridium(III) complexes based on extended p-conjugated benzo[g]phthalazine ligands, Ir(Ftbpa)3 and Ir(FOtbpa)3, are synthesized as sole electron donors. T-OPVs are fabricated by mixing two donors with phenyl-C71-butyric acid methyl ester (PC71BM) as an electron acceptor. Insertion of oxygen-bridges as flexible inert d-spacers in Ir(FOtbpa)3 has slightly elevated both the lowest unoccupied molecular orbital and the highest occupied molecular orbital levels compared to those of Ir(Ftbpa)3, which results in a lower charge transfer (CT) state energy (ECT) for Ir(FOtbpa)3-based devices. However, a higher Voc (0.88 V) is observed for Ir(FOtbpa)3-based devices than those of Ir(Ftbpa)3 (0.80 V). To understand the above result, the morphologies of the two blend films are studied, which excludes the influence of morphology. Furthermore, radiative and non-radiative recombination in two devices is quantitatively investigated, which suggests that a higher Voc can be attributed to reduced radiative and non-radiative recombination loss for the Ir(FOtbpa)3-based devices.
关键词： charge transfer state energy,organic photovoltaic devices,triplet material-based OPVs,radiative and non-radiative recombination,iridium(III) complexes,voltage loss
更新于2025-09-12 10:27:22
-
Intrinsically distinct hole and electron transport in conjugated polymers controlled by intra and intermolecular interactions
摘要： It is still a matter of controversy whether the relative difference in hole and electron transport in solution-processed organic semiconductors is either due to intrinsic properties linked to chemical and solid-state structure or to extrinsic factors, as device architecture. We here isolate the intrinsic factors affecting either electron or hole transport within the same film microstructure of a model copolymer semiconductor. Relatively, holes predominantly bleach inter-chain interactions with H-type electronic coupling character, while electrons’ relaxation more strongly involves intra-chain interactions with J-type character. Holes and electrons mobility correlates with the presence of a charge transfer state, while their ratio is a function of the relative content of intra- and inter-molecular interactions. Such fundamental observation, revealing the specific role of the ground-state intra- and inter-molecular coupling in selectively assisting charge transport, allows predicting a more favorable hole or electron transport already from screening the polymer film ground state optical properties.
关键词： electron transport,organic semiconductors,conjugated polymers,charge transfer state,hole transport
更新于2025-09-11 14:15:04