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A Combined Experimental and Theoretical Investigation on Organic Cation Dichlorocopper (II): Structural Characterization, Hirshfeld Surface Analysis, Spectroscopic Properties and DFT Calculation
摘要： The (ethylenediamine) dichlorocopper(II) complex, {[Cu(en)]Cl2}n(en:C2H8N2), was synthesized by hydrothermal technique. The X-ray structure of {[Cu(en)]Cl2}n shows that the compound crystallizes as a one dimensional chain with one chlorine that is non-bridging and the other chlorine which is triply bridging. It crystallizes at room temperature in the centrosymmetric space group P21/m. The structure of {Cu(en)Cl2}n was originally reported by Kumara et al. The surrounding copper is best described as distorted octahedral. The crystal structure was stabilized with an extensive network of N-H…Cl classical hydrogen bond interactions. The investigation on that close intermolecular interactions between the molecules via Hirshfeld surface analyses is presented to reveal subtle differences and similarities in the crystal structures. The decomposition of the fingerprint plot area provides a percentage of each intermolecular interaction, allowing for a quantified analysis of close contacts within the crystal. The optimized molecular structure and vibrational spectra were calculated by the Density Functional Theory (DFT) method using the B3LYP function with the LanL2DZ basis set. Good consistency is found between the calculated results and the experimental structure, FT-IR, and FT-Raman spectra. The detailed interpretation of the vibrational modes was carried out. Optical transmission measurements performed on thin films of {[Cu(en)]Cl2}n revealed two absorption bands at 3.64 eV and 1.907 eV. The calculated HOMO-LUMO energies reveal that charge transfer occurs within the molecule.
关键词： Optical absorption,Synthesis hydrothermal,Complex copper (II),Hirchfeld surface analysis,Crystal structure,DFT vibrational assignment
更新于2025-09-09 09:28:46
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Microwave-Assisted Hydrothermal Synthesis of ZnFe<sub>2</sub>O<sub>4</sub>/TiO<sub>2</sub> Composite and Photocatalytic Properties
摘要： In order to improve TiO2 photocatalytic activity ZnFe2O4/TiO2 nanocomposites with different ZnFe2O4 mass loading were produced. Obtained ZnFe2O4 nanoparticles were coupled with TiO2 via microwave-assisted hydrothermal method in order to improve photon absorption in a range of visible light. Prepared nanostructures were characterized with scanning electron microscopy and X-ray diffraction. Photocatalytic activity of prepared samples was investigated by degradation of methylene blue under different light sources – LED, Hg and Osram Vitalux lamps. ZnFe2O4 consisted of spherical nanoparticles with average size of 15 nm. TiO2 spherical nanoparticles size was in a range of 30÷45 nm. The results shown that doping TiO2 with ZnFe2O4 nanoparticles increased photocatalytic activity. Photocatalytic activity increases as mass loading of ZnFe2O4 decreased.
关键词： titania,zinc ferrite,hydrothermal,photocatalysis,nanocomposite
更新于2025-09-09 09:28:46
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SELF-DECOMPOSITION EFFECT OF GRAPHENE BASED CdSe COMPOSITES FOR ORGANIC DYE IN DARK
摘要： Herein we obtain CdSe-TiO2 composite, graphene-CdSe composite and graphene-TiO2 composite by using a facile hydrothermal method. The as-prepared composites are characterized by Brunauer emmett Teller (BET) surface area measurement, X-ray diffraction (XRD), scanning electron microscopy (SEM) with an energy dispersive X-ray (EDX) analysis, transmission electron microscopy (TEM), UV-vis diffuse reflectance spectra (DRS). According to the decomposition results of methylene blue (MB) solution in dark, it can be observed that the graphene-CdSe composites show a very interesting character, self-decomposition effect of MB in dark.
关键词： CdSe,UV-vis DRS,Graphene,Hydrothermal,Self-decomposition
更新于2025-09-09 09:28:46
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NH2-MIL-125(Ti)/TiO2 Nanorod Heterojunction Photoanodes for Efficient Photoelectrochemical Water Splitting
摘要： A photoactive amine-functionalized Ti metal-organic framework (MOF) (MIL(125)-NH2(Ti)) layer is uniformly coated on vertically ordered TiO2 nanorods (NRs) via a facile hydrothermal reaction, and the performance of the heterojunction photoanode in photoelectrochemical (PEC) water splitting is studied. The photocurrent density of the MIL(125)-NH2/TiO2 NRs reaches 1.63 mA/cm2 at 1.23 V vs. a reversible hydrogen electrode under AM 1.5 G simulated sunlight illumination, which is ~2.7 times higher than that of pristine TiO2 NRs. The incident photon-to-electron conversion efficiency of the MIL(125)-NH2/TiO2 NRs improves significantly at λmax = 340 nm, implying the promotion of water oxidation through efficient light absorption and charge separation. The enhancement of the PEC activity in the TiO2 NRs caused by an MIL(125)-NH2 coating is discussed in relation to the surface area and elongated configuration of the TiO2 NRs, the band gap of MIL(125)-NH2(Ti), and the type (II) heterojunction. This study demonstrates the rational design of heterojunctions between the semiconductor and the MOF, which paves the way for new facile and general approaches to achieve a high efficiency in water splitting.
关键词： TiO2 nanorod,Photoelectrochemical water splitting,Photoanode,MIL(125)-NH2,Hydrothermal reaction
更新于2025-09-09 09:28:46
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Multilevel resistance switching behavior in PbTiO3/Nb:SrTiO3(100) heterostructure films grown by hydrothermal epitaxy
摘要： Epitaxial PbTiO3 films with a smooth and dense surface were fabricated by a promising hydrothermal synthesis on an Nb:SrTiO3(100) substrate. The resulting coated substrate was used to fabricate a Pt/PbTiO3/Nb:SrTiO3 heterostructure device. The device exhibited a multilevel storage capacity with an appropriate ROFF/RON ratio and excellent endurance and retention. An electric conduction analysis indicated that the resistive switching behavior of the device was attributed to the trap controlled space-charge-limited current conduction that was caused by the oxygen vacancies in the PbTiO3 hydrothermal films. The modulation of the Pt/PbTiO3 Schottky-like junction depletion under an applied electric field is thought to be responsible for the resistive switching behavior of the device in the carrier injection-trapped/detrapped process.
关键词： Hydrothermal epitaxy,Multilevel resistive switching behavior,PbTiO3 films
更新于2025-09-09 09:28:46
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Optimizing electrospinning-hydrothermal hybrid process based on Taguchi method for modulation of point defects in ZnO micro/nano arrays towards photoelectronic application
摘要： Unlike previous work generally adopting high temperature annealing (≥500 ℃) to suppress defects in hydrothermal grown ZnO, this work suppressed ZnO defects by optimizing overall process parameters of low temperature electrospinning-hydrothermal hybrid process (≤300 ℃) with Taguchi method and Analysis of Variance (ANOVA). Sum ratio of defect peaks to eigen peaks (SRDE) in room-temperature photoluminescence (PL) spectrum was proposed to evaluate defect conditions in 27 experiments (L27 (38)). With the optimal process, good crystal quality (SRDE=0.31) was achieved at low temperature (200 ℃), of which the SRDE decreased by 68.04% compared with the initial counterpart. Then confirmation experiment was conducted to validate the selected levels, and results of signal-to-noise ratio (SNR) showed good agreement with the predicted ones. Besides, the response time and recovery time of the ZnO photodetectors with optimal process were decreased by 72.5% and 79.3%, respectively, compared with the initial ones. This method can also be used to fabricate ZnO materials with other wanted defect features.
关键词： Point defect,photodetector,ZnO micro/nano array,electrospinning-hydrothermal hybrid process,Taguchi method
更新于2025-09-09 09:28:46
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Photoactivity of Ag/TiO2 Microsphere by One-Step Hydrothermal Method
摘要： Ag/TiO2 microsphere photocatalyst was prepared via one step hydrothermal method and prepared catalyst was used for photodegradation of rhodamine B under visible light. The Ag/TiO2 catalyst was characterized through X-ray diffraction (XRD) and scanning electron microscope (SEM). The results showed Ag was uniformly distributed in the titanium matrix. The 6 % Ag doped TiO2 catalyst had the higher photoactivity than other proportion to degrade rhodamine B 86.6 % within 60 min under visible light. The Ag doped TiO2 also had the good activity under solar light cut off UV light.
关键词： Ag doped TiO2,Photodegradation,Hydrothermal method,Microsphere
更新于2025-09-09 09:28:46
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AIP Conference Proceedings [Author(s) 6TH INTERNATIONAL CONFERENCE ON PRODUCTION, ENERGY AND RELIABILITY 2018: World Engineering Science & Technology Congress (ESTCON) - Kuala Lumpur, Malaysia (13–14 August 2018)] - Investigation of optical and electrical properties of nitrogen- and boron-doped carbon dots films
摘要： The optical properties of two types of carbon dots (CDs) doped by nitrogen and boron atoms and the electrical properties of ?lms from the obtained CDs in a polyvinyl alcohol (PVA) matrix were investigated. Synthesis of CDs was carried out using the hydrothermal treatment method. The resulting CDs have a crystalline structure with functional groups on the edges and surface (lateral sizes of CDs is vary in the range of ～7 ?28 nm). The thin ?lms from aqueous suspensions of CDs were obtained by the spin-coating method inside an electrically inert polymer matrix of PVA. The current-voltage characteristics of this obtained ?lms were measured.
关键词： optical properties,polyvinyl alcohol matrix,current-voltage characteristics,carbon dots,electrical properties,spin-coating method,hydrothermal treatment,nitrogen-doped,boron-doped
更新于2025-09-09 09:28:46
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Effects of Hydrothermal Treatment Duration on Morphology of WO <sub/>3</sub> Nanostructures
摘要： Tungsten trioxide (WO3) nanostructures have been synthesized by a simple wet chemical hydrothermal method at a temperature of 120 °C using sodium tungstate (Na2WO4 · 2H2O) as precursor material. In order to study the growth mechanism of WO3 nanostructures, the time of hydrothermal treatment was varied between 1 and 48 h. The morphology and structure of the synthesized WO3 samples were characterized by scanning electron microscopy and X-ray diffraction techniques. The duration of hydrothermal treatment significantly affected the nanostructure morphology evolution due to the limited concentration of a directional capping NaCl agent during synthesis of WO3 crystals.
关键词： Nanorod,Hydrothermal Method,Tungsten Oxide
更新于2025-09-09 09:28:46
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Effect of Different Anions Upon the WO <sub/>3</sub> Morphology and Structure
摘要： In this study the effects of various anions (SO2? 4 , ClO? 4 and PO3? 4 ) were investigated on the hydrothermal treatment of WO3 from Na2WO4 and HCl at 180 and 200 °C. The products were analyzed by XRD and SEM. With the usage of SO2? 4 the obtained product was hexagonal (h-) WO3 in the form of nanorods at both temperatures. Applying ClO? 4 resulted in a mixture of WO3 · 0.33H2O and small amount of m-WO3 at 180 °C and pure WO3 · 0.33H2O at 200 °C. The morphology was consisted of cuboid shapes arranged into spherical structures at 180 °C and longitudinal ones at 200 °C. By the application of PO3? 4 no product formed at either temperature. Using the combination of SO2? 4 and ClO? 4 the product was h-WO3 at both 180 and 200 °C with rod-like crystals; thus, the effect of ClO? 4 was overdominated by the SO2? 4 ions. Utilization of PO3? 4 together with SO2? 4 , and/or ClO? 4 to the reaction mixture completely blocks the hydrothermal formation of solid products by forming water soluble phosphotungstic acids.
关键词： PO3? 4,Hydrothermal Treatment,SO2? 4,ClO? 4,Structure,Morphology,Tungsten Oxides
更新于2025-09-09 09:28:46