Monolayer 1T' ZrCl exhibits unique ferroelastic behavior with three structurally distinct variants (O1, O2, and O3), demonstrating potential for next-generation nanoelectronic and optoelectronic devices. This study investigates the electronic transport and optoelectronic properties of the O1 and O3 variants, with O3 serving as a representative for both O2 and O3 due to their structural symmetry. First-principles calculations and non-equilibrium Green's function analysis reveal that the O1 variant possesses exceptional electronic properties, including high electron mobility (1.
View Article and Find Full Text PDFTwo-dimensional silicon-carbide (SiC) materials stand out for their compatibility with current silicon-based technologies, offering unique advantages in nanoelectronics and photocatalysis. In this study, we employ density functional theory and nonequilibrium Green's function methods to investigate the electronic properties, electron transport characteristics, and optoelectronic qualities of experimentally synthesized monolayer SiC. Utilizing the modified deformation potential theory formula, we unveil SiC's significant directional anisotropy in electron mobility (706.
View Article and Find Full Text PDFObjective: To investigate the therapeutic effect and mechanism of sivelestat sodium on acute lung injury (AIL).
Methods: A rat model for ALI/acute respiratory distress syndrome (ALI/ARDS) was established. Pathological examination of lung tissue was conducted to assess lung injury.
The functional brain connectome is highly dynamic over time. However, how brain connectome dynamics evolves during the third trimester of pregnancy and is associated with later cognitive growth remains unknown. Here, we use resting-state functional Magnetic Resonance Imaging (MRI) data from 39 newborns aged 32 to 42 postmenstrual weeks to investigate the maturation process of connectome dynamics and its role in predicting neurocognitive outcomes at 2 years of age.
View Article and Find Full Text PDFWe present a theoretical design of a class of 2D semiconducting materials, namely, group III (In/Ga)-V (P/As)-VI (S/Se) monolayers, whose global-minimum structures are predicted based on the particle swarm optimization method. Electronic structure calculations suggest that all group III-V-VI monolayers exhibit quasi-direct semiconducting characteristics with desirable band gaps ranging from 1.76 to 2.
View Article and Find Full Text PDFFunctional connectome gradients represent fundamental organizing principles of the brain. Here, we report the development of the connectome gradients in preterm and term babies aged 31-42 postmenstrual weeks using task-free functional MRI and its association with postnatal cognitive growth. We show that the principal sensorimotor-to-visual gradient is present during the late preterm period and continuously evolves toward a term-like pattern.
View Article and Find Full Text PDFIn this study, we have investigated the electron mobility of monolayered (ML) tetrahex-GeC by solving the linearized Boltzmann transport equation (BTE) with the normalized full-band relaxation time approximation (RTA) using density functional theory (DFT). Contrary to what the deformation potential theory (DPT) suggested, the ZA acoustic mode was determined to be the most restrictive for electron mobility, not the LA mode. The electron mobility at 300 K is 803 cm (V s), exceeding the 400 cm (V s) of MoS which was calculated using the same method and measured experimentally.
View Article and Find Full Text PDFFlavonoids, such as anthocyanins and proanthocyanidins (PAs), play essential roles in plant growth, development, and stress response. Red-fleshed apples represent a valuable germplasm resource with high flavonoid content. Understanding and enriching the regulatory network controlling flavonoid synthesis in red-fleshed apples holds significant importance for cultivating high-quality fruits.
View Article and Find Full Text PDFThe lifespan growth of the functional connectome remains unknown. Here, we assemble task-free functional and structural magnetic resonance imaging data from 33,250 individuals aged 32 postmenstrual weeks to 80 years from 132 global sites. We report critical inflection points in the nonlinear growth curves of the global mean and variance of the connectome, peaking in the late fourth and late third decades of life, respectively.
View Article and Find Full Text PDFUtilizing two-dimensional (2D) heterostructures in photocatalysis can enhance optical ab-sorption and charge separation, thereby increasing solar energy conversion efficiency and tackling environmental issues. Density functional theory (DFT) was employed in this study to investigate the structural and optoelectronic properties of the AgBr/SiH van der Waals (vdW) heterostructures. All three configurations (A1, A2, and A3) were stable, with direct bandgaps of 1.
View Article and Find Full Text PDFDespite the advantages of quaternary two-dimensional (2D) materials, fewer studies have been done on them than binary 2D materials. Calculations of quaternary 2D monolayer CuClSeHgbased on density functional theory and Green's function surface analysis provide insights into its structural, dynamic, and thermal stability. This material has a direct band gap of 0.
View Article and Find Full Text PDFTwo-dimensional (2D) semiconducting materials with distinct anisotropic physical properties have attracted intense interests. Herein, we show theoretical predictions that MgXN (X = Hf/Zr) monolayers are auxetic semiconductors with highly anisotropic electronic, optical, and mechanical properties. The density functional theory calculations coupled with a PSO algorithm (global-minimum search) suggest that both MgHfN (MgZrN) monolayers exhibit orthorhombic symmetry () and are direct-gap (indirect-gap) semiconductors with a bandgap of 2.
View Article and Find Full Text PDFClin Neurophysiol
November 2022
Objective: To investigate the overall incidence and associated factors of epileptiform discharges in children during sevoflurane anesthesia.
Methods: Our group systematically searched the PubMed, Cochrane library (Central) and EMBASE for the relevant trials from their inception until September 2020. The primary endpoint was the incidence of epileptiform discharges during sevoflurane induction.
The development of efficient heterojunctions through a simple and facile method is an effective way to enhance the photocatalytic performance of bismuth-based oxide semiconductors for industrial applications. Here, the novel flower-like type II SnS/BiWO heterostructure consisting of bismuth tungstate (BiWO) nanosheets and tin bisulfide (SnS) nanoplates was successfully designed and synthesized. The crystal structure, composition, morphology, and photoelectric properties of the heterostructure were systematically characterized.
View Article and Find Full Text PDFRecently, the crystal structure of violet phosphorus and its monolayer violet phosphorene (VP) have been reconfirmed experimentally, and they were verified to be more thermally stable than their allotrope, black phosphorus. Here, we calculated the carrier mobility of monolayer VP using density functional theory. It is found that the carrier mobility is highly anisotropic and the hole mobility reaches 9.
View Article and Find Full Text PDFFunctional hubs with disproportionately extensive connectivities play a crucial role in global information integration in human brain networks. However, most resting-state functional magnetic resonance imaging (R-fMRI) studies have identified functional hubs by examining spontaneous fluctuations of the blood oxygen level-dependent signal within a typical low-frequency band (e.g.
View Article and Find Full Text PDFThe rational design and construction of cost-effective nickel-based phosphide or sulfide (photo)electrocatalysts for hydrogen production from water splitting has sparked a huge investigation surge in recent years. Whereas, nickel phosphides (Ni P ) possess more than ten stoichiometric compositions with different crystalline. Constructing Ni P with well crystalline and revealing their intrinsic catalytic mechanism at atomic/molecular levels remains a great challenge.
View Article and Find Full Text PDFMussel foot proteins (Mfps) show strong adhesion to underwater substrates, making mussels tightly cling to reefs to withstand the sea current. Therefore, Mfps-inspired tissue adhesives have aroused much research interest, but tough underwater biological tissue adhesion is still a great challenge. Herein, we report a tough and reversible wet tissue-selective adhesive hydrogel made of poly(acrylic acid-co-catechol) and chitosan (CS).
View Article and Find Full Text PDFIn this study, we present that 2D tetrahex-GeC materials possess novel electronic and carrier transport properties based on density functional theory computations combined with the nonequilibrium Green's function method. We show that under the 4% (-4%) in-plane expansion (compression) along the -direction (-direction) of the tetrahex-GeC monolayer, the bandgap can be enlarged to a desirable 1.26 eV (1.
View Article and Find Full Text PDFFunctional brain networks require dynamic reconfiguration to support flexible cognitive function. However, the developmental principles shaping brain network dynamics remain poorly understood. Here, we report the longitudinal development of large-scale brain network dynamics during childhood and adolescence, and its connection with gene expression profiles.
View Article and Find Full Text PDFWhile past studies have enriched our understanding of the impact of returnee executives on firm market strategy and outcomes, we know relatively little about the relationship between returnee executives and firm nonmarket strategies. Grounded in upper echelons theory, this study explores the relationship between returnee executives and corporate philanthropy, the latter of which is an important nonmarket strategy in emerging economies such as China. Using data on publicly listed Chinese companies from 2010 to 2017, we find that the proportion of returnee executives is negative related to corporate philanthropy.
View Article and Find Full Text PDFThe functional connectome is highly distinctive in adults and adolescents, underlying individual differences in cognition and behavior. However, it remains unknown whether the individual uniqueness of the functional connectome is present in neonates, who are far from mature. Here, we utilized the multiband resting-state functional magnetic resonance imaging data of 40 healthy neonates from the Developing Human Connectome Project and a split-half analysis approach to characterize the uniqueness of the functional connectome in the neonatal brain.
View Article and Find Full Text PDFTwo-dimensional (2D) semiconductors with anisotropic properties (e.g., mechanical, optical, and electric transport anisotropy) have long been sought in materials research, especially 2D semiconducting sheets with strong anisotropy in carrier mobility, e.
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