This study focuses on fabricating a hybrid structure consisting of ZnO nanorods and ZnTe nanoparticles for NO gas detection, particularly exploring the impact of light irradiation at room temperature (RT). The morphology, physical characteristics, and chemical properties of the ZnO/ZnTe hybrid structure are carefully studied under diverse analytical methods such as X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and other measurements. The ZnO/ZnTe composite displayed an improved response toward 500 ppb NO under the blue light radiation effect.
View Article and Find Full Text PDFDipicolinic acid (DPA) is a key biomarker of bacterial spores. In this study, we present a novel distance-based paper analytical device (d-PAD) for the fluorescence sensing of DPA. The detection mechanism relies on the complexation of ofloxacin (OFL) with Cu ions, where Cu quenches the fluorescence of OFL static quenching.
View Article and Find Full Text PDFTwo-dimensional materials and their combined heterostructures have paved the way for numerous next-generation electronic and optoelectronic applications. Herein, we performed first principles calculations to computationally design the MoSe/WS heterostructure and consider its geometric structure, electronic properties and contact behavior, as well as the effects of the electric fields and strain. Our results show that the MoSe/WS heterostructure is energetically, thermodynamically and mechanically stable.
View Article and Find Full Text PDFEnhancement of the ionic conductivity and reduction of diffusion barriers of lithium-ion batteries are crucial for improving the performance of the fast-growing energy storage devices. Recently, the fast-charging capability of commercial-like lithium-ion anodes with the smallest modification of the current manufacturing technology has been of great interest. We used first principles methods computations with density functional theory and the climbing image-nudged elastic band method to evaluate the impact of an external electric field on the stability, electronic band gap, ionic conductivity, and lithium-ion diffusion coefficient of penta-graphene nanoribbons upon lithium adsorption.
View Article and Find Full Text PDFIn light of escalating environmental pollution and tremendous energy shortage, the development of multifunctional materials with diverse applications across biomedical and energy production platforms has become imperative. Among this domain, nanostructured heterogeneous composites based on semiconductors are exclusively promising owing to their distinct configurations. Notably, graphitic carbon nitride (g-CN (CN)) has drawn substantial interest as a sustainable candidate with surface functionality, electron-rich nature, and interconnected conjugation system along the polymeric matrix.
View Article and Find Full Text PDFIn the present work, we propose GaGeX (X = N, P, As) monolayers and explore their structural, vibrational, piezoelectric, electronic, and transport characteristics for multifunctional applications based on first-principles simulations. Our analyses of cohesive energy, phonon dispersion spectra, and molecular dynamics simulations indicate that the three proposed structures have good energetic, dynamic, and thermodynamic stabilities. The GaGeX are found as piezoelectric materials with high piezoelectric coefficient of -1.
View Article and Find Full Text PDFFirst principles calculation was performed to study the SnTeX (X = P, As) monolayers. Structural investigation confirms the stability of the two monolayers with Young's modulus in the range of 30.34-33.
View Article and Find Full Text PDFCombining different metals in coordination compounds is an efficient strategy to improve their various properties. Herein, mixed nickel-cobalt hexacyanoferrate (NiCoHCF) microcubes of varying : molar ratios are synthesized a co-precipitation route and comprehensively characterized to study their material and electrochemical properties. NiCoHCF microcubes display the battery-type electrochemical energy storage mechanism in aqueous electrolytes.
View Article and Find Full Text PDFRecently, searching for a metal-semiconductor junction (MSJ) that exhibits low-contact resistance has received tremendous consideration, as they are essential components in next-generation field-effect transistors. In this work, we design a MSJ by integrating two-dimensional (2D) graphene as the metallic electrode and 2D Janus γ-GeSSe as the semiconducting channel using first-principles simulations. All the graphene/γ-GeSSe MSJs are predicted to be energetically, mechanically, and thermodynamically stable, characterized by the weak van der Waals (vdW) interactions.
View Article and Find Full Text PDFThe aim of this work was to evaluate the conformity of intensity-modulated radiation therapy (IMRT) and volumetric modulated arc therapy (VMAT), and verify the accuracy of the planning and delivery system used in this work based on the AAPM TG-119 protocol. The Eclipse 13.6 treatment planning system (TPS) was used to plan the TG-119 test suite, which included four test cases: MultiTarget, Prostate, Head/Neck, and C-Shape for IMRT and VMAT techniques with 6 MV and 10 MV acceleration voltages.
View Article and Find Full Text PDFMinimizing the contact barriers at the interface, forming between two different two-dimensional metals and semiconductors, is essential for designing high-performance optoelectronic devices. In this work, we design different types of metal-semiconductor heterostructures by combining 2D metallic MX (M = Nb, Hf; X = S, Se) and 2D semiconductor SiH and investigate systematically their electronic properties and contact characteristics using first principles calculations. We find that all the MX/SiH (M = Nb, Ta; X = S, Se) heterostructures are energetically stable, suggesting that they could potentially be synthesized in the future.
View Article and Find Full Text PDFMarkgr., a member of the Gnetaceae family, is distributed in Vietnam. This plant remains a botanical enigma with an unexplored diversity of chemical constituents and pharmacological effects.
View Article and Find Full Text PDFBreaking structural symmetry in two-dimensional layered Janus materials can result in enhanced new phenomena and create additional degrees of piezoelectric responses. In this study, we theoretically design a series of Janus monolayers HfGeZH (Z = N, P, As) and investigate their structural characteristics, crystal stability, piezoelectric responses, electronic features, and carrier mobility using first-principles calculations. Phonon dispersion analysis confirms that HfGeZH monolayers are dynamically stable and their mechanical stability is also confirmed through the Born-Huang criteria.
View Article and Find Full Text PDFThe biology of extinct animals is usually reconstructed from external morphological characters and comparison with present-day analogues. Internal soft organs are very rarely preserved in fossils and require high-tech approaches for visualization. Here, we report the internal anatomy of a female and male of the ~ 162 Myr-old lobster Eryma ventrosum from the Jurassic La Voulte-sur-Rhône Konservat-Lagerstätte in France using X-ray synchrotron tomography.
View Article and Find Full Text PDFTwo-dimensional (2D) van der Waals (vdW) heterostructures are considered as promising candidates for realizing multifunctional applications, including photodetectors, field effect transistors and solar cells. In this work, we performed first-principles calculations to design a 2D vdW MoTe/MoS heterostructure and investigate its electronic properties, contact types and the impact of an electric field and in-plane biaxial strain. We find that the MoTe/MoS heterostructure is predicted to be structurally, thermally and mechanically stable.
View Article and Find Full Text PDFIn this study, using the tight-binding model and Green's function technique, we investigate potential electronic phase transitions in bilayer 6 borophene under the influence of external stimuli, including a perpendicular electric field, electron-hole coupling between sublayers (excitonic effects), and dopants. Our focus is on key electronic properties such as the band structure and density of states. Our findings reveal that the pristine lattice is metal with Dirac cones around the Fermi level, where their intersection forms a nodal line.
View Article and Find Full Text PDFIn this study, S-deficient MoS was prepared using proton irradiation and then applied as sensing materials for the detection of NO gas. First, bulk MoS was treated by ultrasonics to produce 2D nanosheets of MoS, which were subsequently bombarded by a flux of high-energy protons, resulting in the appearance of structural defects throughout MoS. The proton fluxes were adjusted to different densities of 1 × 10, 1 × 10, 1 × 10, and 1 × 10 ions/cm.
View Article and Find Full Text PDFGraphitic carbon nitride supported silver nanoparticles (AgNPs/g-CN) with 1%, 3%, and 5% AgNPs were successfully synthesized by an "" method with ultrasound of a mixture of AgNP solution and g-CN. The AgNP solution was prepared by chemical reduction with trisodium citrate, and g-CN was synthesized from the urea precursor. The supported nanoparticles were characterized by X-ray diffraction spectroscopy (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), nitrogen adsorption-desorption (BET), Fourier transformation infrared (FTIR) and Raman spectroscopy, ultraviolet-visible diffuse reflectance spectroscopy (UV-Vis DRS), photoluminescence spectroscopy (PL), electron paramagnetic resonance (EPR) and electrochemical impedance spectroscopy (EIS) Nyquist plots.
View Article and Find Full Text PDFObjectives: We assessed the value of histogram analysis (HA) of apparent diffusion coefficient (ADC) maps for grading low-grade (LGG) and high-grade (HGG) gliomas.
Methods: We compared the diagnostic performance of two region-of-interest (ROI) placement methods (ROI 1: the entire tumor; ROI 2: the tumor excluding cystic and necrotic portions). We retrospectively evaluated 54 patients with supratentorial gliomas (18 LGG and 36 HGG).
A new catalyst has been developed that utilizes molybdenum oxide (MoO)/nickel molybdenum oxide (NiMoO) heterostructured nanorods coupled with Pt ultrafine nanoparticles for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) toward industrial-grade water splitting. This catalyst has been synthesized using a versatile approach and has shown to perform better than noble-metals catalysts, such as Pt/C and RuO, at industrial-grade current level (≥1000 mA·cm). When used simultaneously as a cathode and anode, the proposed material yields 10 mA·cm at a remarkably small cell voltage of 1.
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