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Nanostructured Anodic Oxides: Fabrication & Applications
摘要: The special issue of Current Nanoscience entitled “Nanostructured Anodic Oxides: Fabrication & Applications” comprises review papers focused on various aspects of these nanostructures. Nanostructured anodic oxides are awaking high hopes in the research community due to the solutions of emerging problems they offer. Classically, the anodic oxides on aluminum and its alloys are a protective coating, providing improved corrosion resistance [1-5], adhesion of primer to metallic substrate [6] and hardness of the anodized surface [7-10]. However, since two-step self-organized anodization was invented in 1995, allowing to form highly-ordered honey-comb ordering of the nanopores (Fig. 1a), numerous researches have been triggered. On one hand, still new electrolytes, operating conditions and electrolyte additives are being researched, providing new ranges of the applied voltages and consequently new ranges of oxides pore diameter and interpore distance [11-17]. On the other hand, research on anodic aluminum oxide is so mature, that already significant achievements in nanofabrication [18-22] (Figs. 1b-1c), surfaces with tunable wetting angle [23-27], cells culturing platforms [28, 29], biomaterials performance [29], sensing [30, 31], structural color generation [31, 32], photocatalysis [33], renewable energy harvesting [34-36], photonic crystals [37] and plasmonic materials [38] have been reported. Moreover, also other metals are being researched. Numerous achievements in anodization of Ti [39-45] W [46], Zr [47, 48], Cu [49-51], Fe [52], Sn [53], Zn [54] and stainless steel [55] allowed to make progress in renewable energy harvesting [43, 44, 51] (especially in the assembly of dye-sensitized solar cells [44] and photoelectrochemical water splitting [43, 51]), CO2 reduction to hydrocarbons [45], drug delivery systems [41], improvement in biomaterials performance [40] and photocatalysis [46]. Moreover, also intermetallic alloys, like FeAl [56, 57] and bimetallic, layered systems like Al-Ti [58] were anodized in order to form nanoporous oxides with tunable band gap and to ease the nanofabrication, respectively.
关键词: Nanostructured Anodic Oxides,Biomaterials,Anodization,Renewable Energy Harvesting,Photocatalysis,Sensing,Fabrication,Applications,Nanofabrication
更新于2025-09-04 15:30:14
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Hyperelastic material modeling of graphene based on density functional calculations
摘要: A new parameter set for the graphene material model of [1] is obtained. The material model is anisotropic hyperelastic and calibrated by a trial dataset generated by density functional theory (DFT). The DFT experiments are one pure dilatation test and two uniaxial stretch tests along the armchair and zigzag directions. The strain energy is computed from ab-initio simulations and used to calibrate the parameters of the hyperelastic model. The strain energy and stresses from the new parameter set are calculated and verified with the results of [1].
关键词: density functional theory,hyperelastic material model,DFT,anisotropic,strain energy,graphene
更新于2025-09-04 15:30:14
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Using IoT and smart monitoring devices to optimize the efficiency of large-scale distributed solar farms
摘要: This paper presents a novel IoT-based architecture that utilizes IoT hardware, software, and communication technologies to enable real-time monitoring and management of solar photovoltaic systems at large scales. The system enables stakeholders to remotely control and monitor the photovoltaic systems and evaluate the effect of various environmental factors such as weather, air quality, and soiling. The system was implemented and evaluated in terms of network delay and resource consumption. Message Queueing Telemetry Transport (MQTT) was used to facilitate wide-scale real-time communication. The average network delay was found to be less than 1 s, proving the architecture to be ideal for solar and smart grid monitoring systems. As for resource consumption, the evaluation showed the hardware to consume about 3% of the panel’s output, while the application also utilized a very small percentage of the CPU. This led to the conclusion that the proposed architecture is best deployed using low-cost constrained edge devices where a combination of IoT-based paradigm, efficient MQTT communication, and low resources consumption makes the system cost-effective and scalable.
关键词: Solar photovoltaic monitoring,Smart renewable energy,IoT,Smart grid
更新于2025-09-04 15:30:14
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Electronic Structure and Dipole Moment Calculations of the Electronic States of the Molecule ZnS
摘要: In this study, the low lying electronic states and spectroscopy of diatomic molecule ZnS in addition to its dipole moments have been investigated by performing highly correlated ab initio calculations, the Complete Active Space Self Consistent Field (CASSCF) method with Multi Reference Configuration Interaction (MRCI+Q) for an accurate picture for these states. The proposed study includes information about the potential energy curves of the lowest 12 singlet and 9 triplet electronic states of the molecule ZnS, in the representation 2s+1Λ(+/-). Nine of these states have been studied here for the first time. The harmonic frequency we, the internuclear distance re, the electronic energy with respect to the ground state Te, the rotational constant Be, and the permanent dipole moment μ have been calculated, compared and compiled with the available existing data to illustrate the electronic characteristics. The comparison of these values reveals a very good agreement.
关键词: potential energy curves,ab initio calculation,spectroscopic constants,electronic structure,dipole moments
更新于2025-09-04 15:30:14
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Photoluminescence from GaAs nanostructures
摘要: The confinement properties of semiconductor nanostructures have promising potential in technological application. The main objective of this study is to describe the dependence of Photoluminescence (PL) intensity on different parameters like temperature, excitation wavelength, time and photon energy of GaAs quantum dots (QDs). The model equations are numerically analyzed and simulated with matlab and FORTRAN codes. The experimental fitted values and physical properties of materials are used as data source for our simulation. The result shows that at low temperature the peak is quite sharp, as temperature increases the PL intensity decreases and get quenched at particular thermal energy.
关键词: quantum confinement,Photoluminescence (PL) intensity,GaAs quantum dots,nanostructures,thermal quenching energy
更新于2025-09-04 15:30:14
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High‐Temperature Phase Change Material (PCM) Selection for Concentrating Solar Power Tower Applications
摘要: With current concerns about the environmental impact of greenhouse gas emissions, reducing our reliance on fossil fuels has become an ever-growing necessity. A thermal energy storage system that utilizes phase change materials (PCMs) in the form of molten salts, coupled with a concentrating solar power tower plant, is proposed as an effective means of achieving highly efficient and cost competitive power generation on par with traditional fossil fuel–based power. In this study, a set of five selection criteria are applied to a wide range of salt mixtures to determine the best candidates for use as PCMs. The selection criteria include the salt mixture’s melting temperature, latent heat, thermal conductivity, material safety, and cost. A shortlist of 20 salt candidates is made, and differential scanning calorimetry experiments are performed on them to verify the thermal properties of these candidates. A final list of eight salts is then selected as the best PCMs for use in a working temperature range between 500 and 800 °C.
关键词: salt selection,solar thermal power,thermal energy storage,latent heat,molten salts
更新于2025-09-04 15:30:14
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Synthesis, Structural, Electrochemical and Energy Transfer Studies of π‐Extended Mono‐β‐Functionalized Porphyrin Dyads
摘要: A series of π-conjugated mono-β-functionalized donor-acceptor porphyrin dyads (1-4) with various (phenyl, naphthyl, anthracenyl and pyrenyl) donors and their metal complexes (M = Zn(1a-4a), Cu(1b-4b), Co(1c-4c) and Ni(1d-4d)) were synthesized and characterized by various spectroscopic and electrochemical techniques. Modified one-step Horner-Wadsworth-Emmons reaction was performed on monoformyl porphyrin to get ethenyl linked mono-β-porphyrin dyads in good to excellent yields (70-90%). Red shifted absorption and emission spectra were observed as compared to unsubstituted pristine tetraphenylporphyrins due to π-extended donors. Time resolved fluorescence studies confirmed the effective intramolecular F?rster energy transfer from donor moiety to porphyrin core in anthracene and pyrene appended porphyrin dyads. DFT and TD-DFT optimization signified the orientation of donor and acceptor plays a vital role in energy transfer as co-planarity of donor with porphyrin core increases the energy transfer efficiency. The distribution of electron density on HOMOs and LUMOs indicated the EET mechanism from donor moiety to porphyrin acceptor core. All porphyrin dyads exhibited cathodic shift in their oxidation potential suggesting facile oxidation of porphyrin core due to π-extension and the presence of electron donating moieties. Finally, femtosecond transient absorption spectral studies were performed to secure evidence of excitation transfer and kinetic information of the energy transfer event in the dyads.
关键词: DFT,energy transfer,mono-β-functionalized,porphyrin dyads,Horner-Wadsworth-Emmons reaction,π-Extended,femtosecond transient absorption,TD-DFT
更新于2025-09-04 15:30:14
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[Topics in Current Chemistry Collections] Multidimensional Time-Resolved Spectroscopy || Electronic Couplings in (Bio-) Chemical Processes
摘要: During the last two decades, 2D optical techniques have been extended to the visible range, targeting electronic transitions. Since the report of the very first 2D electronic measurement (Hybl et al. in J Chem Phys 115:6606–6622, [2001]), two-dimensional electronic spectroscopy (2DES) has allowed fundamentally new insights into the structure and dynamics of condensed-phase systems (Ginsberg et al. in Acc Chem Res 42:1352–1363, 2009; Jonas in Annu Rev Phys Chem 54:425–463, 2003), producing experiments that measure correlations among electronic states of an absorbing species within complex systems. 2DES is used to investigate photophysical phenomena involving electronic or vibrational couplings in multi-chromophoric systems [energy transfer in photosynthesis is one great example of how 2DES can disentangle various energy transfer pathways (Brixner et al. in Nature 625–628, 2005; Engel et al. in Nature 446:782–786, 2007; Collini et al. in Nature 463:644–647, 2010)], but also ultrafast photochemical processes in which the tracked molecules change permanently or are heterogeneous (Ruetzel et al. in Proc Natl Acad Sci 111:4764–4769, 2014; Consani et al. in Science 339:1586–1589, 2013). We divide this chapter according to some of the major areas that have been established thanks to 2DES in the following fields: heterogeneity of systems, excitation energy transfer mechanisms, photo-induced coherent oscillations associated with electronic and vibrational couplings, and complex chemical reactions (Fig. 1).
关键词: Energy transfer,Vibronic coupling,Two-dimensional electronic spectroscopy,Photoreactivity,Heterogeneity
更新于2025-09-04 15:30:14
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Synthesis, energy transfer, charge compensation and luminescence properties of CaZrO3:Eu3+, Bi3+, Li+ phosphor
摘要: A series of CaZrO3:Bi3+, CaZrO3:Eu3+, CaZrO3:Eu3+, Bi3+, and CaZrO3:Eu3+, Bi3+, Li+ phosphors are synthesized by high-temperature solid-state reaction method in air. Their luminescence properties are researched, compared, and analyzed. CaZrO3:Bi3+ phosphor under excitation at 310?nm emits deep-blue light with chromaticity coordinate (0.1612, 0.0254). CaZrO3:Eu3+ phosphor under excitation at 310 and 395?nm shows red-emitting with chromaticity coordinate (0.6386, 0.3611). CaZrO3:Eu3+, Bi3+ phosphor under excitation at 310?nm exhibits a systematically varied hue from deep-blue to red light by changing Eu3+ ion concentration, and that with excitation at 395?nm only emits red light with chromaticity coordinate (0.6386, 0.3611). The energy transfer process from Bi3+ to Eu3+ ions may be indicated by their spectral properties. The optimal Eu3+ and Bi3+ ions concentrations are 5?mol% and 0.9?mol%, respectively. The emission intensity CaZrO3:Eu3+, Bi3+ phosphor may be enhanced about 1.6 times due to the co-doping Li+ ion as charge compensator role. The luminous mechanism of CaZrO3:Eu3+, Bi3+ phosphor is explained by the simplified energy level diagrams of Bi3+ and Eu3+ ions.
关键词: energy transfer,CaZrO3,luminescence,charge compensation,phosphor
更新于2025-09-04 15:30:14
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Enhanced dielectric properties and energy density of flexible KTa0.2Nb0.8O3-BaTiO3/P(VDF-TrFE-CTFE) nanocomposite
摘要: In this work, KTa0.2Nb0.8O3–BaTiO3 (KTN–BT) hybrid nanoparticles were synthesized via a facile one-pot hydrothermal method. Flexible nanocomposite films comprised of poly (vinylidene fluoride-trifluoroethylene-chlorotrifluoroethylene) P(VDF-TrFE-CTFE) matrix and KTN–BT hybrid fillers of different molar ratio were prepared by solution-casting. It is revealed that the introduction of BT to the KTN causes decreased grain size and homogenous morphology, improving the dielectric constant, breakdown strengthen and energy density of nanocomposite films. Typically, the nanocomposite film containing 40 vol% KTN–BT possesses a dielectric constant of 322 at 100 Hz, which is 8.7 times than that of pure polymer. Also, nanocomposite film with < 10 vol% of filler could achieve high breakdown strength of over 300 MV m?1. The energy density of the film containing 2 vol% KTN–BT filler is 61.4% higher than that of pure P(VDF-TrFE-CTFE) polymer. (7.1 J cm?3 compared to 4.4 J cm?3.) In addition, the nanocomposites also displayed good flexibility and kept excellent dielectric properties after bending and folding. All the improved performance enables these composites to meet the requirements of many flexible electronic devices and energy storage devices.
关键词: KTN–BT,dielectric properties,P(VDF-TrFE-CTFE),nanocomposite,energy density
更新于2025-09-04 15:30:14