- 标题
- 摘要
- 关键词
- 实验方案
- 产品
-
Crystal Engineering of Organic Optoelectronic Materials
摘要： Crystal engineering can be regarded as the highly ordered and complicated supramolecular synthesis of functional crystalline solids by control of intermolecular interactions. As one of the most important organic solids for crystal engineering, organic optoelectronic materials have received tremendous interest in the past several decades. In this review, we discuss systematically how to design organic optoelectronic materials from the perspective of crystal engineering including molecular structures, intermolecular interactions, packing arrangements, crystal growth, and patterning methods as well as two-component and multi-component molecular materials. We underline the correlations among molecular structures, packing modes, crystal morphologies, and optoelectronic properties. Finally, we address several key points for further exploration in this field.
关键词： Crystal Growth,Intermolecular Interactions,Crystal Engineering,Patterning Methods,Organic Optoelectronic Materials,Packing Arrangements
更新于2025-09-19 17:13:59
-
Interdigitated Hierarchical Integration of an Efficient Lateral Perovskite Singlea??Crystal Solar Cell
摘要： Single-crystal perovskite thin films were prepared by a scalable, one-step, geometrically confined lateral crystal growth (GC-LCG) method on a patterned rolling mold and used for a photovoltaic study. A record solar cell efficiency of 9.50 % under 0.1 sun with an electrode spacing of 1.5 mm is attained in lateral single-crystal perovskite materials. Moreover, successful integration for high-source-power-generation interdigitated electrode units patterned in series (1 × 4), parallel (4 × 1), and combination (4 series × 4 parallel) configurations is devised and affords maximum efficiencies of 7.99, 8.19, and 7.96 %, respectively. Additionally, the cell performances under various illumination intensities (0.1, 0.2, 0.4, 0.6, 0.8, 1.0 sun) to mimic daily sunshine angles and an indoor environment at 1000 lux (JSC) values are elucidated for which short-circuit current (19.60 mA cm?2 and h = 7.43 %) under 1.0 sun and a significant efficiency of 8.13 % under indoor conditions are obtained. This work represents a significant step towards next-generation, efficient, lateral photovoltaics for possible module integration.
关键词： synthetic methods,crystal engineering,crystal growth,perovskites,lead
更新于2025-09-19 17:13:59
-
Electronic Coordination Effect of the Regulator on Perovskite Crystal Growth and Its High-Performance Solar Cells
摘要： The rapid growth of perovskite crystal leads to excessive grain boundaries and surface defects, which has a negative effect on the performance of solar cells (PSCs). Passivating defects by controlling the crystal growth rate becomes a crucial research hotspot for preparing high crystallinity perovskite films. In this work, phenylacetonitrile (PA) and 2-naphthylacetonitrile (2-NA) served as crystal growth regulators are introduced into the perovskite precursor. The coordination effect of lone-pair electrons (n-electrons) and π-electrons in regulator molecule with Pb2+ on the nucleation and growth of FA0.80MA0.15Cs0.05Pb(I0.85Br0.15)3 perovskite crystal, along with passivation of surface defects and grain boundaries are systematically investigated. The n-electrons of N atom form a coordination bond with Pb2+, and π-electrons in aromatic ring generate a cation-π interaction with Pb2+. This combined effect efficiently delays the crystallization rate of perovskite crystal, and then promotes the grain growth and reduces the grain boundaries, which is favorable for the dissociation of more excitons to carriers. The PA-optimized PSCs show an increasement of PCE from 18.01% to 21.09%, with an unencapsulated device retaining 91.2% of its initial efficiency for 60 days in 40 ± 5% relative humidity under dark condition.
关键词： perovskite solar cells,coordination effect,crystal growth regulator,passivation defects,morphology,cation-π
更新于2025-09-19 17:13:59
-
Solvent Engineering Using a Volatile Solid for Highly Efficient and Stable Perovskite Solar Cells
摘要： A strategy for efficaciously regulating perovskite crystallinity is proposed by using a volatile solid glycolic acid (HOCH2COOH, GA) in an FA0.85MA0.15PbI3 (FA: HC(NH2)2; MA: CH3NH3) perovskite precursor solution that is different from the common additive approach. Accompanied with the first dimethyl sulfoxide sublimation process, the subsequent sublimation of GA before 150 °C in the FA0.85MA0.15PbI3 perovskite film can artfully regulate the perovskite crystallinity without any residual after annealing. The improved film formation upon GA modification induced by the strong interaction between GA and Pb2+ delivers a champion power conversion efficiency (PCE) as high as 21.32%. In order to investigate the role of volatility in perovskite solar cells (PSCs), nonvolatile thioglycolic acid (HSCH2COOH, TGA) with a similar structure to GA is utilized as an additive reference. Large perovskite grains are obtained by TGA modification but with obvious pinholes, which directly leads to an increased defect density accompanied by a decline in PCE. Encouragingly, the champion PCE achieved for GA-based PSC device (21.32%) is almost 13% or 20% higher than those of the control device or TGA-based device. In addition, GA-modified PSCs exhibit the best stability in light-, thermal-, and humidity-based tests due to the improved film formation.
关键词： pinholes,solvent engineering,volatile,crystal growth,perovskite solar cells
更新于2025-09-19 17:13:59
-
Growth and optical properties of a new stoichiometric laser crystal Pr(BO2)3
摘要： Single crystal Pr(BO2)3 with a centimeter size was grown successfully by a flux method using 3Li2CO3-2H3BO3 as a flux. The absorption spectrum, emission spectrum, and luminescence lifetime of Pr(BO2)3 crystal were measured. The Pr(BO2)3 crystal has a relatively large absorption cross section and full widths at half maximum (FWHM), which is advantageous for the crystal to absorb enough energy from the pumping source. The spectrum parameters were calculated based on Judd–Ofelt (J-O) theory, and the effective J-O parameters were determined as: Ω2=37.47×1020 cm2, Ω4=6.80×1020 cm2, and Ω6=1.05×1020 cm2. Furthermore, the emission cross sections for the 3P0→3F2 transition at 650 nm was calculated to be 13.6×10-19 cm2. The fluorescence lifetime of 3P0 level was obtained to be 4.5 ns. The Raman spectrum of the crystal was also analyzed in detail. Physical properties such as thermal and chemical stability, hardness, and cleavage properties were explored. The refractive index and electronic structure were calculated by the first-principles method.
关键词： first-principles,Pr(BO2)3,J-O theory,optical properties,crystal growth
更新于2025-09-19 17:13:59
-
High‐Performance Flexible Broadband Photodetectors Based on 2D Hafnium Selenosulfide Nanosheets
摘要： 2D transition-metal dichalcogenides have attracted significant interest in recent years due to their multiple degrees of freedom, allowing for tuning their physical properties via band engineering and dimensionality adjustment. The study of ternary 2D hafnium selenosulfide HfSSe (HSS) high-quality single crystals grown with the chemical vapor transport (CVT) technique is reported. An as-grown HSS single crystal exhibits excellent phototransistor performance from the visible to the near-infrared with outstanding stability. A giant photoresponsivity (≈6.4 × 104 A W?1 at 488 nm) and high specific detectivity (≈1014 Jones) are exhibited by a device fabricated by exfoliating single-crystal HSS of nano-thickness on a rigid Si/SiO2 substrate. The application of HSS single crystal is extended to yield a sensible flexible photodetector of photoresponsivity up to ≈1.3 A W?1 at 980 nm. The photoresponsivity of CVT-grown HSS single crystal is significantly larger than those fabricated with other existing Hf-based chalcogenides. The results suggest that the layered multi-elemental 2D chalcogenide single crystals hold great promise for future wearable electronics and integrated optoelectronic circuits.
关键词： crystal growth,photoresponsivity,transition metal dichalcogenides,flexible optoelectronics,specific detectivity
更新于2025-09-19 17:13:59
-
Cover Feature: Functional Metal Oxides in Perovskite Solar Cells (ChemPhysChem 20/2019)
摘要： The conflict between beneficial layered structure for performances and layered growth habits in KBe2BO3F2 (KBBF) always restricts its practical applications. A beryllium-free KBBF family member, Zn2BO3(OH), is explored to feature the same topological layer with KBBF by replacing [BeO3F]5? with [ZnO3(OH)]5? and excellent UV performances. It exhibits a second harmonic generation response of about 1.5 × KH2PO4 with the UV cutoff edge of 204 nm. The birefringence of Zn2BO3(OH) in the visible region is about 0.067, which is larger than those of commercial UV crystals LiB3O5, CsB3O5, and CsLiB6O10. Additionally, it has excellent thermal and water-resistant stabilities. Owing to the removal of interlayer cations, Zn2BO3(OH) shows better growth habits than KBBF while achieving the balance between beneficial layered structure and layer tendency.
关键词： borates,KBBF family,second harmonic generation,nonlinear optical materials,crystal growth habits
更新于2025-09-19 17:13:59
-
Fabrication and electroluminescence of sheet-like ZnO/Si light-emitting diodes by radio frequency magnetron sputtering method
摘要： Sheet-like ZnO/Si light emitting diodes (LEDs) have been fabricated through depositing nanoscale ZnO on the p-type single crystal silicon by using a radio frequency (RF) magnetron sputtering method. From XRD patterns, the (100), (002) and (101) diffraction peaks can be observed. Through increasing the sputtering time, however, the intensity of (100) and (101) diffraction peaks has gradually decreased and the intensity of (002) diffraction peak has gradually enhanced. With decreasing the sputtering powers, the fabricated ZnO films have been observed to show better (002)-orientation growth. Electroluminescence (EL) from ZnO/Si LEDs have been decomposed into three emission bands, i.e., UV, green and orange emissions, which origin from the band gap, zinc interstitial or vacancies oxygen and shallow level, respectively. Under the lower sputtering power, orange emission is disappeared. It is indicated that the structures and EL properties are sensitive to the fabrication conditions. It is important to optimize and tune the fabrication conditions for purposeful applications in the future works.
关键词： ZnO/Si LED,Crystal growth,Electroluminescence,Orientation growth,Luminescence
更新于2025-09-16 10:30:52
-
Growth, structural, Hirshfeld surface, optical, laser damage threshold, dielectric and chemical etching analysis of 4-dimethylaminopyridinium 4-nitrophenolate 4-nitrophenol (DMAPNP)?single crystal
摘要： The organic 4-dimethylaminopyridinium 4-nitrophenolate 4-nitrophenol (DMAPNP) single crystal was grown by slow evaporation solution growth technique at 35 °C. The single crystal X-ray diffraction analysis confirms that the grown crystal belongs to the orthorhombic crystal system with the space group of P212121. Different functional groups were affirmed using FT-IR and FT-Raman analysis. The intermolecular interactions of the DMAPNP molecule were executed using Hirshfeld surface study. The Mulliken atomic charge population analysis was performed using density functional theory (DFT). The bonding interactions between two orbital atoms and groups were executed by the density of state (DOS). The optical transmittance study shows that the grown crystal has 60 to 78% transmittance in the Vis–NIR region. It has an emission peak at 482 nm in the photoluminescence (PL) spectrum. The photoconductivity analysis shows that the DMAPNP has negative photoconductive behavior. The thermal stability of the DMAPNP crystal was investigated by TG–DTA analysis. The etch pit density of the title crystal was investigated using chemical etching study. The mechanical stability of the DMAPNP crystal was tested by Vickers microhardness tester. Laser damage threshold analysis reveals that the DMAPNP is stable up to 10 mJ of laser power. The dielectric properties were assessed and the electronic polarizability of the DMAPNP was evaluated by the different empirical relations. The second harmonic generation (SHG) efficiency of DMAPNP crystal was measured by Kurtz–Perry powder technique.
关键词： optical,4-dimethylaminopyridinium 4-nitrophenolate 4-nitrophenol (DMAPNP) single crystal,Growth,chemical etching analysis,dielectric,Hirshfeld surface,structural,laser damage threshold
更新于2025-09-16 10:30:52
-
Growth of 4-N,N-Dimethylamino-4'-N'-methyl-stilbazolium Tosylate (DAST) Organic Single Crystals Controlled by Oleic Acid
摘要： 4-N,N-dimethylamino-4'-N'-methyl-stilbazolium tosylate (DAST) organic single crystals controlled by (Z)-Octadec-9-enoic acid (oleic acid, OA) was grown by a slow-cooling method. The as-grown DAST single crystals were systematically characterized by FTIR, X-ray diffraction, second harmonic generation, and UV-vis spectroscopy. Results indicate that addition of OA into the DAST solutions leads to the controlled growth of DAST single crystals and consequently, the crystal quality and optical properties can be modified. Particularly, the DAST crystals grown under the control of OA exhibit larger sizes, higher crystallinities, and better optical qualities with higher optical band gaps and lower defect density, compared with those grown in the absence of OA. These results are helpful for better understanding the controlled growth of DAST organic single crystals and modifying their properties for practical applications.
关键词： nonlinear optical materials,crystal growth,additives,DAST single crystals
更新于2025-09-16 10:30:52