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Search results for: band-gap
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A low-band gap, nitrogen-modified titania visible-light photocatalyst
PublicationFotokatalizatory tlenku tytanu(IV) zmodyfikowanego azotem zostały zsyntetyzowane poprzez ogrzewanie wodorotlenku tytanu i mocznika w temperaturze 400ºC. Otrzymane fotokatalizatory charakteryzują się silną absorpcją w zakresie promieniowania widzialnego (400-500 nm) odznaczając się niskimi wartościami energii pasma wzbronionego (2,20 i 2,46 eV). Aktywność fotokatalityczną w świetle widzialnym potwierdzono przeprowadzając reakcję...
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The optical properties and band gap energy of nanocrystalline La0.4Sr0.6TiO3 thin films
PublicationW pracy zbadano wpływ mikrostruktury na właściwości optyczne La0.4Sr0.6TiO3 przygotowanego w postaci cienkiego filmu. Gęsty film o grubości 200nm i wielkości krystalitów 14-30nm został przygotowany na szafirze.
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Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine
PublicationSemiconductor|melanin interfaces have received increasingly more attention in the fields of photocatalysis and applied electrochemistry because of their facile synthesis, unique electrical properties, and strong capability toward photosensitization. In this work, we describe the electropolymerization of quinone-rich polydopamine (PDA) on the surface of hydrogenated TiO2 nanotubes with enhanced photoactivity in the visible spectrum....
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublicationAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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Role of nitrogen in evolution of sp2/sp3 bonding and optical band gap in hydrogenated carbon nitride
PublicationDrastic changes in the bonding are found in amorphous hydrogenated carbon nitride (a-CNx:H) film as a function of nitrogen concentration (or N/C ratio). The total C-sp3 fraction and hardness shows a sharp decrease (at N/C = 0.40) whereas optical band gap and resistivity shows a gradual increase as nitrogen concentration increases from 0.07 to 0.58. Raman spectrum of a-CNx:H film is fitted with both Gaussian (integrated intensity...
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Does the low optical band gap of yellow Bi3YO6 guarantee the photocatalytical activity under visible light illumination?
PublicationBi3YO6, which is known as an ionic conductor, was tested here as an electrode and photoanode in contact with aqueous electrolytes. Bi3YO6 was deposited onto the Pt substrate and the such prepared electrode was polarized in various aqueous electrolytes. The optical energy band gap of the material equal to 1.89 eV was determined using the Kubelka-Munk function resulting from the UV-Vis spectrum (allowed indirect transition) and also...
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Structural modification and band gap engineering of carbon nano-onions via sulphur doping: Theoretical DFT study
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Cu-Doped Layered Double Hydroxide Constructs the Performance-Enhanced Supercapacitor Via Band Gap Reduction and Defect Triggering
PublicationLayered double hydroxides (LDHs) are regarded as the excellent electrode materials for supercapacitors because of their high theoretical capacitance and abundance. However, the poor conductivity and limited reaction kinetics of LDHs restrict their practical application severely. Herein, Cu is chosen from groups VIII/IB/IIB as dopants for Co-based LDH (CuCo-LDH). The designed metal–organic framework-derived hierarchical CuCo-LDH...
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Effect of band gap on power conversion efficiency of single-junction semiconductor photovoltaic cells under white light phosphor-based LED illumination
PublicationOn the basis of the detailed balance principle, curves of efficiency limit of single-junction photovoltaic cells at warm and cool white light phosphor-based LED bulbs with luminous efficacy exceeding 100 lm/W have been simulated. The effect of energy band gap and illuminance on the efficiencies at warm and cool light is discussed. The simulations carried out show that maximum power conversion efficiency at 1000 lx reaches 52.0%...
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Role of nitrogen in optical and electrical band gaps of hydrogenated/hydrogen free carbon nitride film
PublicationWe report the optical and electrical band gap energy of amorphous hydrogenated carbon nitride (a-HCNx) and carbon nitride (a-CNx) as a function of nitrogen concentration (N/C). The optical band gap of a-HCNx and a-CNx films has been determined by means of Ellipsometry and UV-VIS. Both optical and electrical band gaps increase with elevated nitrogen concentration. Experimentally obtained electrical band gap is compared with the...
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UV-Vis-DR-TiO2 heated at 400-600oC in Ar or H2
Open Research DataThese data contain UV-Vis/DR spectra of TiO2 heated at 400-600oC in Ar or H2. Transformation of spectra to Kubelka-Munk function was performed together with determination of band gap.
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Electrochemical Impedance Spectroscopy data of PDA-modified TiO2 nanotubes
Open Research DataThis dataset contains Electrochemical Impedance Spectroscopy data of the samples from TiO2 nanotubes modified with polydopamine. The studies were presented as a part of the research on "Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine" (DOI: 10.1021/acs.jpcc.2c08804).
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XPS studies of PDA-modified TiO2 nanotubes
Open Research DataThis dataset contains the XPS results (survey and high-resolution spectra) of the samples from TiO2 nanotubes modified with polydopamine. The studies were presented as a part of the research on "Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine" (DOI: 10.1021/acs.jpcc.2c08804).
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Optical measurements of LTO:Cu sol-gel derived thin films
Open Research DataLithium titanate doped by copper thin films were manufactured by chemical, sol-gel method. Flms were deposited on a Corning glass substrated by spin coater. To calculated optical band gap and other optcal parameters, UV-VIS spectroscopy measurements were performed. For measurements selected samples with various content of Cu.
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List of initial and final geometries of hybrid organic-inborganic perovskites
Open Research DataList of initial and optimized geometries of hybrid organic-inorganic perovskites. Calculations were performed on DFT level of theory. Those results were reported in the Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH3NH3PbI3 publication. Geometries, HOMO, LUMO, Band gap energies are concatenated...
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Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A2BX6 for Optoelectronic Applications
PublicationOver the past few years, metal halide perovskite solar cells have made significant advances. Currently, the single-junction perovskite solar cells reach a conversion efficiency of 25.7%. Perovskite solar cells with a wide band gap can also be used as top absorber layers in multi-junction tandem solar cells. We examined the dynamical and thermal stability, electronic structure, and optical features of In2PtX 6 (X = Cl, Br, and I)...
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Optical measurements of lithium titanate sol-gel derived thin films
Open Research DataNanocrystalline thin films with 800 nm thickness were prepared by sol–gel method. To examine the influence of the annealing time on as-prepared films crystallization, the coatings were heated at 550 °C for 10, 20 and 80 h. On the basis of transmission characteristic optical properties were calculated. It was found that transmission through the thin...
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Deep learning for ultra-fast and high precision screening of energy materials
PublicationSemiconductor materials for energy storage are the core and foundation of modern information society and play important roles in photovoltaic system, integrated circuit, spacecraft technology, lighting applications, and other fields. Unfortunately, due to the long experiment period and high calculation cost, the high-precision band gap (the basic characteristic parameter) of semiconductor is difficult to obtain, which hinders the...
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Ellipsometric study of carbon nitride films deposited by DC-magnetron sputtering
PublicationWe report the optical properties of a carbon nitride (CNx) film as a function of nitrogen concentration (N/C) of the deposited film. As nitrogen concentration is increased (N/C ratio) in a CNx film, the refractive index and band gap also increase. The real and imaginary parts, n and k (refractive index and extinction coefficient) of the complex refraction index of carbon nitride films were determined by spectroscopic ellipsometry...
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Filtering EBG Structures Implemented in Coplanar Waveguide Feedline of Planar Slot Antenna
PublicationA novel compact dual-band slot antenna fed by a coplanar waveguide (CPW) incorporating electromagnetic band gap (EBG) structures has been proposed. At first, a classic wideband slot antenna fed by a CPW, dedicated to work in 2 ÷ 18 GHz band, has been designed. Subsequently, by adding simple EBG filtering structures into a CPW feedline, a dual-band performance ranging from 2.5 to 5.3 GHz and from 13.5 to 16.3 GHz, with the voltage...