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Liquid Crystals - Self-Organized Soft Functional Materials for Advanced Applications || Bent-Core Liquid Crystals: Structures and Mesomorphic Properties
摘要： Bent-core (BC) molecules became an attractive liquid crystal class due to their potential use in smart displays and photonic devices. In contrast to calamitic mesogens, bent-shaped mesogens are self-organized superstructures with remarkable properties, given the presence of polar order in mesophases, although the molecules themselves are not chiral. A particular interest represents the biaxial nematic liquid crystal materials that are used in display technology and allow a faster switching response, compared to calamitic liquid crystals, with considerably reduced costs. This chapter briefly reviews the bent-core liquid crystals with three different core units in the structure: (1) 2,5-disubstituted oxadiazole, (2) 1,3-disubstituted benzene, and (3) 2,7-disubstituted naphthalene. To the central bent units (BUs) containing reactive functional groups of phenolic or aminic type, various mesogenic groups are symmetrically or asymmetrically connected, via esterification or condensation reactions. The obtained compounds showed biaxial nematic and/or smectic mesophases with high transition temperatures in the case of oxadiazole derivatives or cholesteric and banana-type mesophases with lower transition temperatures in the case of benzene and naphthalene derivatives.
关键词： naphthalene,nematic,azomesogens,resorcinol,cholesteric,bent-core molecules,oxadiazole,biaxial,smectic,liquid crystals
更新于2025-09-23 15:22:29
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Specific Features of the Molecular Structure of A New 3-(Benzo[d]Oxazole-2-Yl)- 1-(2-(1,3,3-Trimethylindoline-2-Ylidene) Ethylidene)Naphthalene-2(1H)-One Zinc Chloride Complex
摘要： X-ray diffraction is used to determine the structure of a new 3-(benzo[d]oxazole-2-yl)-1-(2-(1,3,3-trimethylindoline-2-ylidene)ethylidene)naphthalene-2(1H)-one zinc chloride complex 1. It is demonstrated that the ligand molecule in complex 1 has a trans–trans–cis conformation in which the indoline nitrogen atom is oriented in the same direction as the chelate ring, which could promote an additional coordination with the complexing atom.
关键词： 3-trimethylindoline-2-ylidene)ethylidene)naphthalene-2(1H)-one zinc chloride,3,3-(benzo[d]oxazole-2-yl)-1-(2-(1,spiropyrans,X-ray diffraction study
更新于2025-09-23 15:22:29
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Simultaneous photocatalytic reduction/degradation of divalent nickel/naphthalene pollutants in aqueous solutions
摘要： Toxic heavy metals and organic pollutants are simultaneously exist in the wastewater of some industries. This study explores reduction of toxic divalent nickel ions, from either nitrate or sulfate salts, coupled with naphthalene (NA) degradation using titania photocatalyst in an efficient photo-sono reactor. A synergism appears when reduction and degradation treatments perform simultaneously in the media. With initial concentrations of [Ni(II)]0 = 5 mg/L and [NA]0 = 10 mg/L, under dominant mild conditions, removal efficiencies of 54.5% and 56.6% were corresponding to Ni(II) and NA when nickel nitrate was used, respectively. These efficiencies were enhanced to 59.2% and 57.5% with nickel sulfate, all after 90 min operations. For evaluating the mechanism of reactions, reactive oxygen species analysis on solutions as well as FTIR, SEM and BET analysis on the titania nanoparticles, before and after usage, were performed. The reaction kinetic was also followed for individual species in the mixed solution and accordingly, the energy consumption was evaluated for one order of magnitude decrease in pollutants concentration. The high performance of the used method was revealed in comparison to the similar reported reduction/degradation processes.
关键词： divalent nickel,kinetic,energy consumption,naphthalene,photocatalytic treatment
更新于2025-09-23 15:22:29
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Conjugated Polymers Based on Thiazole Flanked Naphthalene Diimide for Unipolar n-Type Organic Field-Effect Transistors
摘要： This paper reports the rational design and synthesis of a novel electron-withdrawing building block, thiazole flanked naphthalene diimide (TzNDI), which offers a coplanar conformation and deep-lying highest occupied molecular orbitals energy level in resulting conjugated polymers. A series of conjugated polymers (PTzNDI-2FT, PTzNDI-T, PTzNDI-Se, and PTzNDI-2T) consisting of TzNDI and different donor units were synthesized and characterized. The polymers all possess a high molecular weight and excellent thermal property. Their intense light absorption in low energy bands suggests an enhanced intramolecular charge transfer. The organic field-effect transistors (OFETs) based on these polymers exhibit unipolar n-type transport characteristics with low off current and high on–off current ratio. More importantly, all the devices exhibit near ideal transfer curves with kink-free transfer characteristics. Among these polymers, PTzNDI-2FT exhibits the highest electron mobility (μe) of 0.57 cm2 V?1 s?1, outperforming the commercial n-type polymer N2200 (0.41 cm2 V?1 s?1) under the same conditions. These results demonstrate that TzNDI is a promising building block for high performance unipolar n-type conjugated polymers in OFETs.
关键词： Unipolar n-Type,Thiazole Flanked Naphthalene Diimide,Conjugated Polymers,Organic Field-Effect Transistors
更新于2025-09-23 15:21:21
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Axisymmetric and Asymmetric Naphthalene-Bisthienothiophene Based Nonfullerene Acceptors: on Constitutional Isomerization and Photovoltaic Performance
摘要： Two pairs of constitutional isomers of fused-octacyclic nonfullerene acceptors (NFAs) based on a naphthalene-bisthienothiophene core with or without fluorination at the ending groups have been developed. Compared with the axisymmetric NFAs N66-IC and N66-2FIC with two six-member-ring bridges, their asymmetric constitutional isomers N65-IC and N65-2FIC both with one six-member-ring bridge and one five-member-ring bridge exhibit remarkable red-shifted absorption, higher crystallinity, and slightly down-shifted LUMO energy levels. Organic solar cells based on PBDB-T-2F:N65-2FIC achieved a promising power conversion efficiency of 10.19%, which is three times higher than that of its counterpart PBDB-T-2F:N66-2FIC cell (3.46%). While being blended with PBDB-T as the donor material, the asymmetric acceptor analogue N65-IC based solar cell pronounces a PCE of 9.03%, being significantly improved from that of 5.45% for the PBDB-T:N66-IC based cell, which is in consistency with the results from those cells from their both fluorinated donor and acceptor counterparts. Design rules on either both fluorinated, both non-fluorinated, or cross-combined donor/acceptors for device fabrication has been explored. In addition, PBDB-T-2F:N65-2FIC possesses very promising device stability with 85% of its initial PCE after an exposure time of 1500 h under one sun illumination, which is meaningful for their future commercial devices.
关键词： isomerization,naphthalene,organic solar cells,nonfullerene acceptors,asymmetry,axisymmetry
更新于2025-09-23 15:21:01
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Transparent-to-dark photo- and electrochromic gels
摘要： Smart windows in which the transmittance can be controlled on demand are a promising solution for the reduction of energy use in buildings. Windows are often the most energy inefficient part of a building, and so controlling the transmittance has the potential to significantly improve heating costs. Whilst numerous approaches exist, many suitable materials are costly to manufacture and process and so new materials could have a significant impact. Here we describe a gel-based device which is both photo- and electrochromic. The gel matrix is formed by the self-assembly of a naphthalene diimide. The radical anion of the naphthalene diimide can be formed photo or electrochemically, and leads to a desirable transition from transparent to black. The speed of response, low potential needed to generate the radical anion, cyclability of the system, temperature stability and low cost mean these devices may be suitable for applications in smart windows.
关键词： Smart windows,Gel-based device,Naphthalene diimide,Electrochromic,Photochromic
更新于2025-09-23 15:21:01
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Plasmon excitation and subsequent isomerization dynamics in naphthalene and azulene under fast proton interaction
摘要： The interaction of fast protons (velocity between 1.41 and 2.4 a.u.) with naphthalene and azulene is investigated as a model of an ion-polycyclic aromatic hydrocarbon interaction system. Production of various intact and fragment ions in coincidence with electron emission, electron transfer to projectile, or both is analyzed. The two targets being isomers, the rather obvious similarity in the fundamental ion-molecule collision energetics is quantitatively verified. The fast isomerization processes of cationic azulene are observed to be influencing its further dissociation channels such as C2H2 and H eliminations. A first ever attempt is presented here wherein single plasmon excitation in conjunction with isomerization dynamics is reported. Evidence from dication evaporation energetics is used to invoke the double plasmon excitation model. A model based on the multiplasmon resonance explains the observed proton velocity dependence of double to single ionization cross sections. Moreover an attempt is made to reinforce the proposition of double plasmon excitation by explaining the observed suppression of neutral H loss from dications as opposed to monocations.
关键词： double plasmon excitation,isomerization dynamics,naphthalene,azulene,ion-polycyclic aromatic hydrocarbon interaction,plasmon excitation,fast protons
更新于2025-09-23 15:21:01
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Photophysical properties and theoretical investigations of newly synthesized pyrene-naphthalene based Schiff base ligand and its copper(II) complexes
摘要： The present work describes the synthesis and characterization of a novel pyrene-naphthalene based Schiff base ligand and its copper complexes. The ligand was synthesized by reacting 1-Pyrenecarboxaldehyde and 1,8-Diaminonaphthalene in 2:1 molar ratio. The resulting Schiff base ligand, (N1E,N8E)-N1,N8-bis(pyren-1-ylmethylene)naphthalene-1,8-diamine (BPND) was characterized by NMR (1H and 13C), FT-IR and ESI-HRMS techniques. Further, BPND was used to synthesize two Cu(II) complexes (1 and 2) in 2:1 (ligand:metal) and 1:1:1 (ligand:metal:8-hyroxyquinoline) molar ratio, and characterized using electronic absorption, fluorescence spectroscopy, in addition to aforementioned spectroscopic techniques. DFT calculations have been used in order to obtain information on quantum-molecular descriptors reflecting the local reactivity properties. DFT calculations encompassed geometrical optimizations of title molecules and calculations of molecular electrostatic potential (MEP), average local ionization energies (ALIE) and atomic Fukui indices.
关键词： DFT,Fukui indices.,Cu(II) complex,Pyrene-naphthalene ligand,Spectroscopic characterization
更新于2025-09-23 15:21:01
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Naphthalene imide dimer as interface engineering material: An efficient strategy for achieving high-performance perovskite solar cells
摘要： How to design and synthesize interfacial engineered materials that have efficient surface passivation and electron extraction properties is an important problem in the field of optoelectronic materials. Herein, a simple naphthalene imide dimer, namely 2FBT2NDI, is developed by Stille coupling reaction with a high yield, and it is used as interface engineering for inverted perovskite solar cells (PSC). Owing to the existence of intermolecular interactions between MAPbI3 and the 2FBT2NDI layer, the introduction of the interfacial layer can passivate the surface defects of perovskite film and improve interface contact. In addition, 2FBT2NDI exhibits suitable energy levels and high electron mobility because of its large linear conjugated skeleton containing two fluorine atoms, which are beneficial for electron extraction for efficient PSCs. Employing 2FBT2NDI as an interfacial layer, inverted PSCs show a maximum power conversion efficiency of 20.1%, which is over 14% higher than that of the control devices without interfacial layer (17.1%). These results highlight that the naphthalene imide dimer can potentially be used as a commercializable interfacial material for achieving high-performance PSCs.
关键词： electron extraction,perovskite solar cell,naphthalene imide,surface passivation,interface engineering
更新于2025-09-23 15:19:57
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Effects of a Fluorinated Donor Polymer on the Morphology, Photophysics, and Performance of All-Polymer Solar Cells based on Naphthalene Diimide-Arylene Copolymer Acceptors
摘要： Naphthalene diimide (NDI)-biselenophene copolymer (PNDIBS) and NDI-selenophene copolymer (PNDIS) and the fluorinated donor polymer PM6 were used to investigate how a fluorinated polymer component affects the morphology and performance of all-polymer solar cells (all-PSCs). Although the PM6:PNDIBS blend system exhibits a high open-circuit voltage (Voc = 0.925 V) and desired low optical bandgap energy loss (Eloss = 0.475 eV), the overall power conversion efficiency (PCE) was 3.1%. In contrast, PM6:PNDIS blends combine a high Voc (0.967 V) with a high fill factor (FF = 0.70) to produce efficient all-PSCs with 9.1% PCE. Furthermore, the high performance PM6:PNDIS all-PSCs could be fabricated by various solution processing approaches and at active layer thickness as high as 300 nm without compromising photovoltaic efficiency. The divergent photovoltaic properties of PNDIS and PNDIBS when paired respectively with PM6 are shown to originate from the starkly different blend morphology and blend photophysics. Efficient PM6:PNDIS blend films were found to exhibit a vertical phase stratification along with lateral phase separation while the molecular packing had a predominant face-on orientation. Bulk lateral phase separation with both face-on and edge-on molecular orientations featured in the poor performing PM6:PNDIBS blend films. Enhanced charge photogeneration and suppressed geminate and bimolecular recombinations with 99% charge collection probability found in PM6:PNDIS blends strongly differ from the poor charge collection probability (66%) and high electron-hole pair recombination seen in PM6:PNDIBS. Our findings demonstrate that beyond the generally expected enhancement of Voc, a fluorinated polymer component in all-PSCs can also exert a positive or negative influence on photovoltaic performance via the blend morphology and blend photophysics.
关键词： Naphthalene Diimide-Arylene Copolymer,Fluorinated donor polymer,Vertical phase stratification,All-polymer solar cells,Thick-film active layer,Blend Morphology
更新于2025-09-23 15:19:57