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341
Observation of non-Hermitian boundary induced hybrid skin-topological effect excited by synthetic complex frequencies
Published 2024-12-01“…We demonstrate that HSTE induces asymmetric transmission along a specific direction within the topological band gap. Besides HSTE, we identify corner states originating from non-chiral edge states, which are caused by the unbalanced effective onsite energy shifts at the boundaries of the network. …”
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342
Fabrication and Performance Analysis of Novel HTV Silicon Rubber Nanocomposites for High Voltage Insulation in Outdoor Environment
Published 2025-01-01“…The most considerable band gap energy was found in Silicone Rubber with 1% silica nano-composite filling, followed by 3% and 7% nanocomposites with an improvement of 71% and 76%, respectively. 1% silica nanocomposites have the highest DC resistance value among all nanocomposites. …”
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343
Numerical simulation of an HTL-free carbon-based perovskite solar cell with graphitic carbon nitride doped zinc oxide as electron transport layers
Published 2025-04-01“…The electron transport layer (ETL) was a blend with ZnO and graphitic carbon nitride, and named GT1, GT3 and GT5 materials in different ratios. The band gap values of the proposed ETL were 3.06, 3.06, 3.10, and 2.97 eV for pure ZnO, GT1, GT3 and GT5 respectively. …”
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344
Biotemplated Synthesis of Titanium Oxide Nanoparticles in the Presence of Root Extract of Kniphofia schemperi and Its Application for Dye Sensitized Solar Cells
Published 2021-01-01“…The analysis result revealed that the synthesized TiO2 NPs were thermally stable above 500°C and have spherical morphology, with the average crystalline size of 11.7, 8.3, and 8.6 nm, and band gap energy of 3.35 eV, 3.33 eV, and 3.36 eV, respectively, for the TiO2 NPs prepared at the volume ratios of 2 : 3, 1 : 1, and 3 : 2. …”
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345
Dual-Functional Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>/Ag/AgCl Nanocomposites as Photocatalyst for Degrading Methylene Blue Dye Under Natural Light Irradiation
Published 2025-01-01“…The magnetic properties of FSAC remained those of the core Fe3O4 nanoparticles, with a band gap energy of approximately 1.8 eV. Results showed that the photocatalytic decomposition of MB under 25 W natural light was significantly enhanced in the presence of the FSAC nanocomposites, compared to Fe3O4, Fe3O4@SiO2, and Fe3O4@SiO2/Ag nanoparticles. …”
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346
Targeting necroptosis in MCF-7 breast cancer cells: In Silico insights into 8,12-dimethoxysanguinarine from Eomecon Chionantha through molecular docking, dynamics, DFT, and MEP stu...
Published 2025-01-01“…DFT and MEP studies corroborated these findings, revealing that the electronic structure of SG-A is conducive to stable binding interactions, characterized by a narrow band gap (~0.16 units) and distinct electrostatic potential favourable for necroptosis induction. …”
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347
Synthesis and structural characterization of s-triazine derivatives and their photophysical properties
Published 2025-01-01“…The dihedral angles showed slight deviation, and this was related to the natural atomic charges present on the atoms in the molecule. Band gap was found to be lowest in case of 2 (3.95 eV) and highest in case of 1 (4.57 eV) depicting its highest and lowest reactivity, respectively. …”
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348
Sol–gel synthesis of silicon oxide (SiO2) nanoparticles: exploring gas sensing and photocatalytic applications
Published 2025-02-01“…Ultraviolet–visible (UV–Vis) spectroscopy analysis indicated a band gap energy of 5 eV. X-ray diffraction (XRD) analysis displayed a broad peak, confirming the amorphous nature of the material. …”
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349
Photosynthetic Pigments with Potential for a Photosynthetic Antenna: A DFT Analysis
Published 2019-01-01“…The evaluated electronic properties at the gas phase included (a) energies such as HOMO-LUMO band gap (H-L, ranging from 2.168 to 2.504 eV), adiabatic ionization potential (I, ranging from 5.964 to 7.207 eV), and adiabatic electronic affinity (A, ranging from 2.176 to 2.741 eV); (b) global chemical reactivity indexes such as electronegativity (χ, ranging from 4.121 to 4.974 eV), hardness (η, ranging from 1.812 to 2.233 eV), electrophilicity index (ω, ranging from 4.365 to 5.541 eV), and electroaccepting-electrodonating powers (ω+, ranging from 1.671 to 2.115 eV, and ω−, ranging from 4.375 to 5.273 eV); (c) electron-hole reorganization energies (λ, ranging from 0.225 to 0.519 eV and ranging from 0.168 to 0.425 eV, respectively) and electron-hole extraction potentials (EEP, ranging from 2.570 to 2.966 eV, and HEP, ranging from 5.538 to 7.012 eV, respectively); and (d) local chemical reactivity indexes like condensed Fukui functions (fk), condensed dual descriptor (f2r), and condensed local softness (sk). …”
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350
Facile green synthesis of silver doped NiO nanoparticles using aloe vera latex for efficient energy storage and photocatalytic applications
Published 2025-01-01“…The morphological, structural elemental compositions were analysed through SEM, HRTEM, SAED, XRD and EDAX. The band gap was determined as 2.48, 2.57, 2.58, 2.60, and 2.62 eV for pure NiO, 2–8% Silver doped NiO using Kubelka-Munk plot. …”
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351
Energy-efficient Carbon-doped TiO2 for Visible Light Degradation of Methyl Orange: Preparation, Performance, and Mechanism
Published 2024-12-01“…The effects of carbon content and calcination temperature on the photodegradation performance of C-doped TiO2 were investigated. The band gap energy of C-doped TiO2 was found to be narrower (2.67 eV) than that of undoped TiO2 (2.88 eV). …”
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352
Advancements in photovoltaic efficiency: The role of fluorine-doped CZTS in homojunction solar cells
Published 2025-02-01“…The DFT calculations indicate that F atoms prefer Cu sites and maintain a direct band gap in CZTS, promoting n-type conductivity. Optical studies demonstrate that F-doping enhances conductivity, refractive index, and light absorption through the visible spectrum. …”
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353
Direct observation of chiral edge current at zero magnetic field in a magnetic topological insulator
Published 2025-01-01“…Surprisingly, we find the edge channels coexist with finite bulk conduction even though the bulk chemical potential is in the band gap, suggesting their robustness under significant edge–bulk scattering. …”
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354
Synergistic design of CuO/CoFe₂O₄/MWCNTs ternary nanocomposite for enhanced photocatalytic degradation of tetracycline under visible light
Published 2025-01-01“…Microscopy confirmed a particle size of 49.2 nm for the nanocomposite, with MWCNTs measuring 15.65 nm in diameter. The band gap energy of the CCT nanocomposite was 1.6 eV, which contributed to its enhanced photocatalytic activity, as evidenced by the lower emission intensity in PL analysis. …”
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355
Synergistic photothermal conversion and visible-light photodegradation of antibiotic in S-type TiO2 derived Ti3C2-MXene loaded on NaYF4: Tm3+, Er3+, Yb3+ @BiOI
Published 2025-06-01“…On the other hand, loading TiO2 derived Ti3C2 MXenes on NaYF4: Tm3+, Er3+, Yb3+ @ BiOI increased tetracycline (TC) degradation to 36% and 90%, compared to narrow band gap BiOI, within 120 min under NIR light irradiation and sunlight irradiation, respectively. …”
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356
Controlled bottom-up synthesis and characterization of crystalline and amorphous lead(II) coordination polymers: Sonochemical methods, structure–property relationship, and photocat...
Published 2025-03-01“…Photocatalytic degradation of methylene blue was investigated using 1a and 2b_2, which represent the synthetic compounds. Calculation of the band gap of synthesized polymers was conducted using the Tauc diagram (based on the DRS results). …”
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357
Synthesis of MgFe2O4 Nanoparticles and its Application for Photodegradation of Methylene Blue
Published 2024-12-01“…Characterization results show that MgFe2O4 nanoparticles synthesized with the addition of 3 mL pumpkin seed extract have a crystal size of 3.87 nm, cubic spinel structure, average particle size of 29 nm, and band gap energy value of 1.94 eV. The MgFe2O4 nanoparticles produced optimum degradation efficiency under mercury lamp irradiation with a degradation capacity of 391.98 mg/g at pH 12. …”
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358
The MIL-125(Ti)/Co3O4 towards efficiently removing tetracycline by synergistic adsorption-photocatalysis roles
Published 2025-02-01“…To enhance the photocatalytic performance of MIL-125(Ti), Co3O4 with a suitable band gap was selected for designing and preparing the heterojunction catalyst. …”
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359
Theoretical Study of CO, NO, NO<sub>2</sub>, Cl<sub>2</sub>, and H<sub>2</sub>S Adsorption Interactions with PdO–Graphene Composites for Gas Sensor Applications
Published 2024-12-01“…This enhancement is reflected in the increased adsorption energy and band gap and low charge transfer, which significantly influenced the electrical conductivity of the PdO–graphene sheet. …”
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360
Septuple XBi2Te4 (X=Ge, Sn, Pb) intercalated MnBi2Te4 for realizing interlayer ferromagnetism and quantum anomalous hall effect
Published 2025-01-01“…Our band structure and topological analyses confirm the preservation of QAHE in all MnBi2Te4/XBi2Te4/MnBi2Te4 heterostructures, while the MnBi2Te4/PbBi2Te4/MnBi2Te4 heterostructure exhibits a topological band gap of 72 meV, significantly exceeding that of the pure MnBi2Te4 bilayer. …”
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