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Investigation of Fe-doped room temperature dilute magnetic ZnO semiconductors
摘要： Different ceramics sample of Zn1-xFexO (ZFO) series have been sintered by solid state reaction method. Single phase polycrystalline Fe-doped ZnO sample with hexagonal wurtzite structure has been obtained with x < 0.03 mol. Segregation of Fe and/or its oxides have not been found in the XRD patterns. A weak secondary phase of ZnFe2O4 has been detected with x ≥ 0.03 mol. Presence of Ohmic conductivity has been detected in the dielectric property analysis and the reasons for this Maxwell-Wagner-Sillars (MWS) relaxation has been explained by the grain boundary barrier defect (GBBD) process. The obtained shift of diamagnetic behavior of pure ZnO samples to para-magnetic for ZFO samples has been established with the defect and impurity structure. The band gap energy for ZFO samples has been calculated between 2.85 eV to 3.15 eV. The results indicate the potential use of Fe doped ZnO ceramics in high frequency device applications.
关键词： Spintronics,XRD,Hysteresis loops,Dilute magnetic semiconductor,Dielectric constant,Optical property
更新于2025-10-22 19:40:53
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Combined experimental and theoretical investigation on modulation of multiferroic properties in BiFeO3 ceramics induced by Dy and transition metals co-doping
摘要： Multiferroic Dy and transition metals (Cr, Mn, Ni) co-doped BiFeO3 ceramics were successfully synthesized by a solid-state method, and the influence on the magnetic and ferroelectric properties were investigated. Compared with Bi0.95Dy0.05Fe0.95Mn0.05O3, Bi0.95Dy0.05Fe0.95Cr0.05O3 and Bi0.95Dy0.05Fe0.95Ni0.05O3 ceramics can significantly improve the magnetic properties. The significant enhancement of magnetic properties should be related to the local ferromagnetic coupling from Cr ions (Ni ions) and Fe ions, which have already been proved by first-principles calculations. Meanwhile, both experimental and theoretical studies reveal the Dy substitution can effectively enhance the ferroelectric properties of BiFeO3. Leakage current and conduction mechanism analyses reveal that the improved ferroelectric properties are mainly attributed to the reduced oxygen vacancies.
关键词： Magnetic property,Ferroelectric property,BiFeO3,Substitution
更新于2025-09-23 15:23:52
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Synthesis, Crystal Structure and Fluorescent Property of a Onedimensional Coordination Polymer Constructed By 1,3-Bis(1,2,4-Triazol-1-Ylmethyl)- Benzene And 4,4′-Oxydiphthalic Acid
摘要： A one-dimensional Cd(II) complex [Cd(H3ODPT)2(MBTZ)2?2H2O]n (1) (MBTZ = 1,3-bis(1,2,4-triazol-1-yl-methyl)benzene, H4ODPT = 4,4′-oxydiphthalic acid) is synthesized and characterized using single crystal X-ray diffraction, IR spectroscopy, and elemental analysis. Single crystal X-ray diffraction analysis reveals that complex 1 is a one-dimensional double chain polymer containing 24-membered rings with MBTZ ligands as the bridges arranged parallel to the b crystal direction, while the singly deprotonated H4ODPT ligands are extended on both sides of such double chains. In addition, the luminescence measurements reveal that complex 1 exhibits strong fluorescent emission in the solid state at room temperature.
关键词： 4,4′-oxydiphthalic acid,1,3-bis(1,2,4-triazol-1-ylmethyl)benzene,fluorescent property,Cd(II) complex,crystal structure
更新于2025-09-23 15:23:52
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Influence of the intramolecular donor-acceptor distance on the performance of double-cable polymers
摘要： A series of double-cable polymers PFT-C4-PDI, PFT-C6-PDI and PFT-C8-PDI, composed of the poly(fluorene-alt-thiophene) (PFT) backbone, the perylene diimide (PDI) pendants and the length-various (four-, six- and eight-carbon) covalent alkoxy linkers, were presented. The backbone polymer chain created the hole-transporting channel and the inner-chain aggregation of PDI units created the electron-transporting channel, but the aggregation became weaker along with the longer linker, as proven by the UV-Vis absorption and fluorescence quenching. The polymers were non-conducting, but functioned as efficient compatibilizers. The doping of the polymers induced the formation of the bi-continuous networks inside P3HT:PCBM blends, facilitated photo-generated exciton dissociation and charge transporting. PFT-C4-PDI more efficiently increased the absorption coefficient and the charge-carrier mobility of the P3HT:PCBM film. The power conversation efficiency (PCE) of the P3HT:PCBM bulk-heterojunction solar cells with 3 wt% PFT-C4-PDI, PFT-C6-PDI and PFT-C8-PDI doping were improved by 16.9%, 9.2% and 8.0%, respectively, relative to the non-doped reference device.
关键词： Structure-property relationships,Energy transfer,Double-cable polymer,Polymer solar cells,Bi-continuous networks
更新于2025-09-23 15:23:52
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Synthesis, characterization and comparative studies of nonlinear optical chromophores with rod-like, Y-shaped and X-shaped configurations
摘要： A series of highly polarizable nonlinear optical (NLO) chromophores ZJ1-4 with three different configurations, including rod-like, Y-shaped and X-shaped configurations, have been synthesized with facile routes and systematically studied. The resulted chromophores exhibited excellent thermal stabilities. The relationship between molecular configuration and NLO activity was analyzed from the theoretical calculation and experiment. The molecular dipole moment of chromophore ZJ4 was enhanced by X-shaped structure with two acceptors. Meanwhile, the tendency of forming anti-parallel interactions could be inhibited by disk-like molecular configuration with larger steric hindrance. ZJ4 exhibits the largest EO activity of 103 pm/V, and both of molecular and material NLO properties are improved for the chromophore ZJ4 with the X-shaped configuration compared with corresponding benchmark chromophore ZJ1 with rod-like molecular structure.
关键词： shape,nonlinear optic,electro-optic,structure-property relationship,chromophores
更新于2025-09-23 15:23:52
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ZnO-enhanced In2O3-based sensors for n-butanol gas
摘要： A series of high-response and fast-response/recovery n-butanol gas sensors was fabricated by adding ZnO to In2O3 in varying molar ratios to form ZnO-In2O3 nanocomposites via a facile co-precipitation hydrothermal method. Morphological characterizations revealed that the shape of pure In2O3 was changed from irregular cubes into irregular nanoparticles, 30-50 nm in size, with the addition of ZnO. Compared with the pure In2O3 gas sensor, the ZnO-In2O3 gas sensor exhibits superior n-butanol sensing performance. With the introduction of ZnO, the response of the sensor to n-butanol was improved from 17 to 99.5 at 180 °C for a [Zn]:[In] molar ratio of 1:1. In addition, the ZnO-In2O3 gas sensors show a reduced optimal working temperature, excellent selectivity to n-butanol, and good repeatability. The response of the ZnO-enhanced In2O3-based sensors showed a strong linear relationship with the n-butanol gas concentration, allowing for the quantitative detection of n-butanol gas.
关键词： ZnO-In2O3,n-Butanol,Gas-sensing property,Selectivity
更新于2025-09-23 15:23:52
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Insight into visible light-driven photocatalytic performance of direct Z-scheme Bi2WO6/BiOI composites constructed in -situ
摘要： Bi2WO6/BiOI composites with enhanced photocatalytic performance were constructed in-situ by a hydrothermal routine. The Bi2WO6/BiOI composites were studied by Brunauer -Emmett-Teller (BET), X-ray di?raction patterns (XRD), UV–Vis di?use re?ectance spectra (DRS), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), surface photovoltage spectroscopy (SPS), electron spin-resonance (ESR) spectroscopy and X-ray photoelectron spectroscopy (XPS). The results support the coexistence of Bi2WO6 and BiOI in the composites. All the Bi2WO6/BiOI composites display higher separation rate of photoinduced carriers than BiOI. OH and·O2? were formed in the composite photocatalytic system. Finally, a direct Z-scheme was proposed for the Bi2WO6/BiOI composites.
关键词： Separation of photoinduced carriers,Bi2WO6,Heterojunctions,Visible light photocatalytic property,BiOI
更新于2025-09-23 15:23:52
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Photostable coumarin containing azo dyes with multifunctional property
摘要： A series five coumarin azo disperse dyes with thiophene bridge are synthesized using diazotized aniline derivatives which are confirmed by FT-IR, 1H NMR, 13C NMR, and CHN analysis. The dyes are applied on polyester and nylon material. The multifunctional properties (lightfastness, washing fastness, sublimation fastness, K/S, UPF, and antimicrobial activity) of the dyed fabric are determined. The dye 3a (-NO2) show red shifted absorption (649 nm) and blocking 95.5-97.4% of UV radiations with 96% antimicrobial property. The geometries of all the azo dyes are optimized using Density Functional Theory (DFT). The Global Reactivity Descriptors (GRD) are evaluated at the same method of theory. The GRD obtained shows a linear relation with lightfastness and UPF ratings. The antimicrobial activity of all synthesized dyes are determined by AATCC 100 test method and it is correlated with the HOMO-LUMO energy band gap.
关键词： UPF,fastness property,Coumarin-azo dyes,global reactivity descriptors,HOMO-LUMO gap,antimicrobial activity
更新于2025-09-23 15:23:52
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Mechanically-controllable strong 2D ferroelectricity and optical properties of semiconducting BiN monolayer
摘要： Structural, electronic, ferroelectric, and optical properties of two-dimensional (2D) BiN monolayer material with phosphorene-like structure are studied in terms of the density functional theory and modern Berry phase method of ferroelectric calculation. Both phonon spectra, molecular dynamics simulations, and total energy comparison indicate that the BiN monolayer is a stable 2D ferroelectric with polarization as large as 580 pC/m, with ferroelectric polarization being sustainable up to 500 K. Further study shows that the polarization in the BiN monolayer can be easily switched from [100] to [010] direction over the bridging saddle phase by applying a tensile [010] stress of 2.54 N/m or compressive [100] stress of -1.18 N/m. This phase transition makes its lattice constants vary in a large range compared to other non-ferroelectric 2D materials. Moreover, through applying uniaxial tensile stress parallel to the polarization, one can fix the polarization and change the semiconductor energy gap, from direct to indirect one. The optical properties feature a very strong anisotropy in reflectivity below the photon energy of 4 eV. All these significant ferroelectric, mechanical, electronic, and optical properties make us believe that the 2D BiN monolayer can be used to make stretchable electronic devices and optical applications.
关键词： 2D material,optical property,monolayer,mechanical manipulation,2D ferroelectricity,2D semiconductor
更新于2025-09-23 15:23:52
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Structural diversity, magnetic properties, and luminescent sensing of four coordination polymers based on 6-(3,5-dicarboxylphenyl)nicotinic acid
摘要： Four coordination polymers (CPs), namely, [Ni(HDNA)(bibp)(H2O)]n (1), [Co(HDNA)(bibp)]n (2), {[Co(HDNA)(bibp)]·H2O}n (3) and {[Zn(HDNA)(bibp)]·H2O}n (4), have been synthesized from the mixed-ligand strategy of 6-(3,5-dicarboxylphenyl)nicotinic acid (H3DNA) and 4,4′-bis(benzimidazo-1-ly)benzene (bibp). Structural analyses revealed that four CPs all feature 2D sheets with diverse nets from {44.62}-sql net (1), {Co2(COO)2} SBUs based {44.62}-sql net (2), to 4-connected {65.8} sheet (3 & 4). Besides, the temperature-dependent magnetic susceptibilities of CPs 1-3 were investigated. And the luminescent sensing indicated CP 4 is a good bifunctional sensor for Fe3+ and Cr2O7 2- ions.
关键词： Structural diversity,Coordination polymers,Luminescent sensing,Magnetic property,Polycarboxylic acid ligand
更新于2025-09-23 15:23:52