19 Result(s)
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Article
Erratum to: On the voltage behavior of quantum dot light-emitting diode
The title in the article was unfortunately mispresented on page 5511. The title of the article should be corrected to “On the voltage sweep behavior of quantum dot light-emitting diode”.
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Article
Strong circularly polarized luminescence from quantum dots/2D chiral perovskites composites
Chiral perovskites (CPs) have attracted enormous attentions since they have combined chirality and optoelectrical properties well which is promising in circularly polarized luminescence (CPL) application and o...
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Article
On the voltage sweep behavior of quantum dot light-emitting diode
The origin of the efficiency drop of quantum dot light-emitting diode (QLED) under consecutive voltage sweeps is still a puzzle. In this work, we report the voltage sweep behavior of QLED. We observed the effi...
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Article
The Influence of Various Cationic Group on Polynorbornene Based Anion Exchange Membranes with Hydrophobic Large Steric Hindrance Arylene Substituent
A series of brominated polynorbornene derivatives, including bulky steric hydrophobic groups and highly physical and chemical stable backbones, were synthesized via ring-opening metathesis polymerization and post...
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Article
Structural transition, mechanical properties and electronic structure of the ZnO under high pressure via first-principles investigations
The crystal structures, transition paths, elastic properties, and electronic structures are investigated comprehensively by first-principles calculations for ZnO. The sequence of the cohesion energy in ZnO pha...
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Article
Prediction of the pressure-induced phase transition, mechanical properties, and electronic structures for ScB4 via first principle calculations
The structural phase transition, phase stability, mechanical properties, and electronic structures of ScB4 are investigated in the pressure range of 0–100 GPa via first principle calculations. A new ground-state ...
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Article
Development of the new interatomic potentials for the wurtzite phase of ZnO
A new set of interatomic potentials combining the Morse and Born–Mayer forms is developed via the empirical fitting and ab initio energy surface fitting for the wurtzite phase of ZnO. The fitting values are ex...
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Effect of Sc, V, Zr, and Hf do** on the mechanical properties of TiB3 under high pressure
The influence of 3d-Sc, 3d-V, 4d-Zr, and 5d-Hf do** on the mechanical properties of the TiB3 has been investigated in the pressure range of 0–200 GPa by using first-principles calculations. On the basis of veri...
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Article
The low-frequency bandgap characteristics of a new three-dimensional multihole phononic crystal
The development of sub-wavelength acoustic metamaterials such as local resonance phononic crystals is leading new research directions of elastic wavefront control as well as noise attenuation and vibration red...
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Article
Extending and lowering bandgaps by cross-like beams phononic crystals with perforation
Aiming at the problem of low-frequency vibration and noise control in the engineering applications, a new two-dimensional phononic crystal consisting of cross-like copper beams embedded in silicon rubber plate...
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Article
Electronic and Magnetic Investigations on Fe2NiTe Alloy with High Curie Temperature
Full-potential local-orbital minimum-basis and spin-polarized relativistic Korringa-Kohn-Rostoker along with Monte Carlo simulations are applied to study the electronic and magnetic properties of Fe2NiTe with Hg2
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Article
Half-Metallic Ferrimagnetic Characteristics of Co2YZ (Z = P, As, Sb, and Bi) New Full-Heusler Alloys: a DFT Study
The full-Heusler alloys Co2YZ (Z = P, As, Sb, and Bi) were investigated by using the state-of-the-art full-potential linearized augmented plane wave plus local orbital (FP-LAPW + lo) method within the framework o...
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Article
Ferromagnetism and the Optical Properties of Mn-Doped CdSe with the Wurtzite Structure
The geometrical structure of CdSe was optimized by using the ultrasoft pseudopotential method of a total energy plane wave based on density functional theory. The band structure, density of states, and optical...
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Article
Electronic Structure, Phase Stability, and Elastic Properties of Inverse Heusler Compound Mn2RuSi at High Pressure
The structural, magnetic, electronic, and elastic properties of the new Mn-based Heusler alloy Mn2RuSi at high pressure have been investigated using the first-principles calculations within density functional the...
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Article
Stability and Half-Metallicity of the (001) and (111) Surfaces of RbN with Cesium Chloride Structure
Using the full-potential local orbital minimum-basis method, we study the electronic and magnetic properties of relaxed (001) and (111) surfaces of the bulk RbN within the framework of density functional theor...
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Article
First-Principles Study on the (111) Surface of Half-Metallic CsN
Using the full-potential local-orbital minimum-basis method based on electronic structure calculations, we have probed the structural, electronic, and magnetic properties of the (111) surface of CsCl-type CsN....
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Article
Effect of Fe Substitution on Ni2MnGe Heusler Alloys: A First Principles Study
The effect of Fe substitution on electronic structure and magnetic properties of Ni2MnGe alloy has been investigated by using full-potential local-orbital minimum-basis method, which is used in the VCA form. The ...
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Article
First-principles study on stability, electronic and thermodynamic properties of Ti2CoIn and Ti2NiIn
We present a systemical study on the thermodynamic and physical properties of Ti2CoIn and Ti2NiIn by using first-principles calculations. Both alloys are found to be half-metallic ferromagnets with a total spin m...
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Article
Hierarchical ZnO/Bi2O3 nanostructures: synthesis, characterization, and electron-beam modification
Two types of ZnO/Bi2O3 nanonecklace heterostructures were fabricated using the vapor-phase transport (VPT) method for the first time. These hierarchical structures were well characterized by X-ray diffraction (XR...
