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381
Photocatalytic Properties of Tin Oxide and Antimony-Doped Tin Oxide Nanoparticles
Published 2011-01-01“…The results are explained by describing the effects of Sb-doping, N-doping, and/or methacrylate surface grafting on the band gaps, energy level distributions, and surface group reactivities of these nanoparticles. …”
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382
Impact on Structural and Optical Properties of CZTS Thin Films with Solvents and Ge Incorporation
Published 2021-01-01“…Moreover, the gradual changes have also appeared in their X-ray diffractometer (XRD) and Raman spectroscopic results. The optical energy band gaps of the CZTS, CZGTS, and their PVA, DMSO mixed alloyed thin films are obtained in between 1.27 eV to 1.57 eV and 1.58 eV to 1.83 eV.…”
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383
Cluster sliding ferroelectricity in trilayer Quasi-Hexagonal C60
Published 2025-01-01“…Compared to many metallic or semi-metallic elemental ferroelectrics, trilayer qHP C60’s have sizable band gaps and several ferroelectric structures, which are distinguishable by measuring their second-harmonic generation (SHG) responses. …”
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384
Computational insights into spin-polarized density functional theory applied to actinide-based perovskites XBkO₃ (X = Sr, Ra, Pb)
Published 2025-01-01“…The results show semiconductor behavior, with respective band gaps of 1.320 eV for PbBkO3, 3.415 eV for RaBkO3, and 2.775 eV for SrBkO3. …”
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385
Unlocking the potential of azide-phosphine Staudinger reaction for the synthesis of poly(arylene iminophosphorane)s and materials therefrom
Published 2025-01-01“…Interestingly, despite the ylidic-form of the iminophosphorane linkage as shown by theoretical calculations, these newly developed poly(arylene-iminophosphorane) networks exhibit semiconducting properties, such as absorption band edges up to 800 nm and optical band gaps in the range of 1.70 to 2.40 eV. Finally, we demonstrate the broad applicability of these polymers by processing them into glassy films, creating foam-like structures and synthesizing metallo-polymer hybrids.…”
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386
Spectroscopic Analysis for Harnessing the Quality and Potential of Gemstones for Small and Medium-Sized Enterprises (SMEs)
Published 2021-01-01“…The higher structural disorder due to the presence of Fe and other impurities in stones except Quartz was attributed to the higher values of Urbach energies and decrease in band gaps: FTIR data Fe-O and Si-O stretching vibration in Pyrope-Almandine garnet, Si-O bending vibrations and O-H stretching vibration in Quartz, Si-O-Si bending and stretching vibrations and C=O stretching vibrations in Black tourmaline, Ca-O stretching vibrations and Si-OH weak-vibrations in Amethyst. …”
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387
Electronic Structure of Single-Wall Silicon Nanotubes and Silicon Nanoribbons: Helical Symmetry Treatment and Effect of Dimensionality
Published 2013-01-01“…From the calculated band structure results that, irrespective of helicity, the SWSiNTs of larger diameter are small-gap semiconductors with direct gap between the Dirac-like cones of (π*,π) bands. Gap of SWSiNTs is modulated by fold number of particular tubular rotational axis symmetry and exhibits an oscillatory-decreasing character with increase of the tube diameter. …”
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388
Enhancing the efficiency of hybrid Schottky diode by decoration of 2D Cs:ZnO nanosheets with CNTs via a facile co-precipitation approach
Published 2025-01-01“…The thin films showed intense optical absorption near the visible region with optical band gaps of 3.12 eV and 3.06 eV for Cs:ZnO and Cs:ZnO@CNTs nanostructures, respectively. …”
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389
Achieving a Near-Infrared Absorption by A−DA’D−A Type Isoindigo-Based Small Molecular Acceptors for Organic Photovoltaics
Published 2025-01-01“…Both URAs, despite the absence of non-covalent conformation locking between CPDT and IID, demonstrated favorable molecular planarity, broad absorption ranges, low band gaps, and high molar absorption coefficients. …”
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390
The Multiple Effects of Precursors on the Properties of Polymeric Carbon Nitride
Published 2013-01-01“…The results showed that the as-prepared CN-T (from thiourea), CN-D (from dicyandiamide), CN-M (from melamine), and CN-U (from urea) exhibited significantly different morphologies and microstructures. The band gaps of CN-T, CN-D, CN-M, and CN-U were 2.51, 2.58, 2.56, and 2.88 eV, respectively. …”
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391
Preparation of Chloro Penta Amine Cobalt(III) Chloride and Study of Its Influence on the Structural and Some Optical Properties of Polyvinyl Acetate
Published 2015-01-01“…The nature of electronic transition from valence band to conduction band was determined and the energy band gaps of the composite films samples were estimated by UV-visible spectrum. …”
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392
Enhanced Photo-Catalytic Degradation of MB Dye over Hydrothermal Grown-Up of ZnO/SnO2 Catalyst
Published 2024-01-01“…XPS analysis evidence for the presence of constitutes elements and Zn+2, Sn+2, O−2 valance states along with environmental peaks in Z-S heterostructure. The optical band gaps of ZnO (3.37 eV), SnO2 (3.6 eV), and Z-S heterostructure (2.84 eV) are inferred by UV-DRS analysis, together with evidence for the red shift. …”
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393
Morphological and optical characterization of spin-coated CuO nanostructured thin films doped with V, Na, Ba, and Er for enhanced CO2 sensing
Published 2025-03-01“…All the films displayed a monoclinic tenorite structure, with crystallite sizes ranging from 23.8 to 59.5 nm, and band gaps that increased from 1.7 eV for pure copper oxide to 2.1 eV for copper oxide doped with vanadium (CuO:V). …”
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394
Effect of precursor molarities on structural correlation with optoelectronic property of Zn2SnO4 nanostructured thin films
Published 2025-06-01“…All the samples exhibit dual band gaps on account of the having the inverse spinel structure. …”
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395
Photophysical and Electrochemical Studies of Multinuclear Complexes of Iron(II) with Acetate and Extended Conjugated N-Donor Ligands
Published 2015-01-01“…Variable-temperature magnetic susceptibility data suggested that 1 was made up of 56.8% high-spin (HS) and 43.2% low-spin (LS) Fe(II) atoms at 294 K and has a moderate antiferromagnetic interaction (J = −81.2 cm−1) between the two Fe(II) centres, while 2 was made up of 27.7% HS and 72.3% LS Fe(II) atoms at 300 K. The optical band gaps (Eo) for 1 were 1.9 eV (from absorption spectrum) and 2.2 eV (from fluorescence spectrum), electrochemical bandgap (Ee) was 0.83 eV, excited state lifetime (τ) was 0.67 ns, and formal redox potential (E′(FeIII/FeII)) was +0.63 V. …”
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396
First-principles investigation of half-metallic CaTGe2O6 (T = Mn, Fe, Co) clinopyroxenes: Potential for spintronics and optoelectronics applications
Published 2025-01-01“…The electronic band diagram and spin-polarized PDOS of these structures confirm the half-metallic nature of all three structures. The half-metallic band gaps of CaTGe2O6 (T = Mn, Fe, Co) are 3.05, 1.69, 1.99 eV in GGA + U and 2.88, 1.52, 1.78 eV in the LDA + U method, respectively. …”
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397
Effect of annealing on the structural, morphological, optical, magnetic, and dielectric properties of nickel-doped cobalt nanoferrites for electronic applications
Published 2025-02-01“…UV spectroscopy indicated semiconductor behavior with band gaps ranging from 1.86 to 2.15 eV. Dielectric constant and losses decreased with higher annealing temperature and frequency. …”
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398
Constructing benzothiadiazole‐based donor‒acceptor covalent organic frameworks for efficient photocatalytic H2 evolution
Published 2025-01-01“…Abstract Donor‒acceptor covalent organic frameworks (D‒A COFs) have been regarded as promising materials for photocatalytic water splitting because of their tunable band gaps. However, their efficiency is hindered by fast charge recombination and low photostability. …”
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399
Facile Synthesis of Novel Conducting Copolymers Based on N-Furfuryl Pyrrole and 3,4-Ethylenedioxythiophene with Enhanced Optoelectrochemical Performances Towards Electrochromic App...
Published 2024-12-01“…The results demonstrate that the prepared P(FuPy-<i>co</i>-EDOT) copolymers with a higher proportion of EDOT units (FuPy/EDOT: 2/8~1/9) possess good redox activity, tunable optical absorption performances, and low band gaps (1.75~1.86 eV). Spectroelectrochemistry studies indicate that the resulting copolymers with increased EDOT units show strengthened electrochromic characteristics, exhibiting a red-to-green-to-blue multicolor reversible transition, especially for the P(FuPy<sub>1</sub>-<i>co</i>-EDOT<sub>9</sub>) copolymer films. …”
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400
Enhanced photocatalytic degradation of Rhodamine B using polyaniline-coated XTiO3(X = Co, Ni) nanocomposites
Published 2025-01-01“…Diffuse reflectance spectroscopy (DRS) revealed reduced band gaps of 2.63 eV for 1wt.% PANI@NiTiO3 and 2.46 eV for 1wt.% PANI@CoTiO3, enhancing light absorption across UV and visible ranges. …”
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