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Article
Intermittent hypoxia training effectively protects against cognitive decline caused by acute hypoxia exposure
Intermittent hypoxia training (IHT) is a promising approach that has been used to induce acclimatization to hypoxia and subsequently lower the risk of develo** acute mountain sickness (AMS). However, the eff...
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Article
Correction: Superconducting ScP4 with a novel phosphorus framework
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Article
Superconducting ScP4 with a novel phosphorus framework
Pressure has become an irreplaceable tool in preparing new materials with interesting property. Theoretical calculations, especially combined with structural evolution algorithm, have played a powerful role in...
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Article
Two processing stages of the SNARC effect
The spatial–numerical association of response codes (SNARC) effect showed that small/large numbers represented in the left/right space facilitated left/right responses, respectively. However, the processing st...
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Article
Unraveling the synergetic mechanism of physisorption and chemisorption in laser-irradiated monolayer WS2
To further improve the quantum efficiency of atomically thin transition metal dichalcogenides (TMDs) is crucial for the realization of high-performance optoelectronic applications. To this regard, a few chemic...
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Article
Open AccessLithium lanthanum titanate perovskite as an anode for lithium ion batteries
Conventional lithium-ion batteries embrace graphite anodes which operate at potential as low as metallic lithium, subjected to poor rate capability and safety issues. Among possible alternatives, oxides based ...
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Article
Electronic structure and second-order nonlinear optical property of chiral peropyrenes
Discovery of novel materials with excellent second-order nonlinear optical (NLO) properties is a very attractive topic in chemistry and materials science. Recently, much more attention has been paid to chiral ...
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Article
Open AccessElement substitution of kesterite Cu2ZnSnS4 for efficient counter electrode of dye-sensitized solar cells
Development of cost-effective counter electrode (CE) materials is a key issue for practical applications of photoelectrochemical solar energy conversion. Kesterite Cu2ZnSnS4 (CZTS) has been recognized as a potent...
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Article
Open AccessPhase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides
Recent discovery of high-temperature superconductivity (Tc = 190 K) in sulfur hydrides at megabar pressures breaks the traditional belief on the Tc limit of 40 K for conventional superconductors and opens up the ...
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Article
Determination of the charge transport abilities of polymorphs [C6F5Cu]2(4,4′-bipy) with different interactions: a density functional theoretical investigation
Due to the different molecular stacking conformations, two kinds of intermolecular interactions, arene–arene π-stacking interaction and Cu–Cu interaction coexist in the polymorphs of [C6F5Cu]2(4,4′-bipy) crystals...
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Article
Charge transport and electronic properties of N-heteroquinones: quadruple weak hydrogen bonds and strong π–π stacking interactions
The charge transport and photophysical properties of N-heteroquinones, which can function as n-type organic semiconductors in organic field-effect transistors (OFETs) with high electron mobility, were systemat...
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Vibrational Circular Dichroism Spectroscopy of Chiral Molecules
In this chapter, new developments and main applications of vibrational circular dichroism (VCD) spectroscopy reported in the last 5 years are described. This includes the determinations of absolute configurati...
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Article
Theoretical study on the second-order nonlinear optical properties and reorganization energy of silafluorenes and spirobisilafluorenes derivatives
The electronic absorption and emission spectra, second-order polarizability and reorganization energy of the twenty silafluorenes and spirobisilafluorenes derivatives have been studied at the density functiona...
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Article
Theoretical study on dithieno[3,2-b:2′,3′-d]phosphole derivatives: high-efficiency blue-emitting materials with ambipolar semiconductor behavior
Phosphole-based systems due to the unique electronic and optical properties have recently been paid much attention as optoelectronic materials. In this work, the relationship among the electronic structure, ch...
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Article
Density functional study of magnetic exchange of dinuclear manganese complexes with the heteropolymolyanion: [MnII 2(Xn+Mo9O33)2]2(n−10)− (X = PV, AsV, SeVI)
The magnetic exchange interactions between the dimanganese(II)-substituted complexes and the heteropolymolyanion, [MnII 2(Xn+Mo9O33)2]2(n−10)− (X = PV(I), AsV(II) and SeVI(III)), are inves...
