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First-principles study of thermoelectric properties of blue phosphorene

Zeyu Liu、J. O. Morales-Ferreiro、Tengfei Luo2018-08-06Applied Physics Letters

Thermoelectric behavior involving coupled electron and phonon transport properties of monolayer blue phosphorene is studied using the Boltzmann transport equation and first-principles calculations based on the density functional perturbation theory and Wannier interpolation. We find that the maximum figure of merit, Z…

2D Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesThermal properties of materials

Oxidation-Induced Topological Phase Transition in Monolayer 1T′-WTe2

Jiali Yang、Yuanjun Jin、Wangping Xu 等 6 位作者2018-08-06The Journal of Physical Chemistry Letters

Monolayer (ML) tungsten ditelluride (WTe 2 ) is a well-known quantum spin Hall (QSH) insulator with topologically protected gapless edge states, thus promising dissipationless electronic devices. However, experimental findings exhibit the fast oxidation of ML WTe 2 in ambient conditions. To reveal the changes of topol…

Graphene research and applications2D Materials and ApplicationsTopological Materials and Phenomena

Double-layer heterostructure of graphene/carbon nanotube films for highly efficient broadband photodetector

Jun Cao、Yuexin Zou、Xue Gong 等 7 位作者2018-08-06Applied Physics Letters

Graphene-semiconducting single-wall carbon nanotubes' (graphene-s-SWCNTs) thin-film photodetector based on a double-layer stacked heterostructure was fabricated. The carbon-based heterostructure exhibits excellent long-range van der Waals interactions. The as-fabricated device was demonstrated with an ultra-broadband…

Graphene research and applications2D Materials and ApplicationsNanowire Synthesis and Applications

Isocorroles as Homoaromatic NIR-Absorbing Chromophores: A First Quantum Chemical Study

Cina Foroutan‐Nejad、Simon Larsen、Jeanet Conradie 等 4 位作者2018-08-06Scientific Reports

Density functional theory calculations of magnetically induced current densities have revealed high diatropic ring currents in unsubstituted isocorrole consistent with homoaromatic character. An examination of the Kohn-Sham molecular orbitals showed clear evidence of homoconjugative interactions in four occupied π-typ…

Porphyrin and Phthalocyanine ChemistryMolecular Junctions and NanostructuresSynthesis and Properties of Aromatic Compounds

Protonation Process to Enhance the Water Resistance of Transparent and Hazy Paper

Wen Hu、Zhiqiang Fang、Yu Liu 等 9 位作者2018-08-06ACS Sustainable Chemistry & Engineering

Marrying a randomly distributed network of wood fibers with sodium carboxymethyl cellulose (CMC-Na) by impregnation is a scalable method to prepare highly transparent and hazy (TH) paper with superior mechanical properties. However, the poor water resistance of this TH paper is a hindrance for its practical applicatio…

Advanced Cellulose Research StudiesRecycling and Waste Management TechniquesMaterial Properties and Processing

Solubility Measurement, Modeling, and Thermodynamic Functions for para-Methoxyphenylacetic Acid in Pure and Mixed Organic and Aqueous Systems

Ramesh Tangirala、Debiparna De、Vineet Aniya 等 7 位作者2018-08-06Journal of Chemical & Engineering Data

The solubility of para -methoxyphenylacetic acid in different solvents is of critical significance for the design and optimization of its purification process via crystallization. The present study illustrates new solid–liquid phase equilibrium data of para -methoxy phenyl acetic acid in water, acetonitrile, propan-2-…

Analytical Chemistry and ChromatographyCrystallization and Solubility StudiesChemical and Physical Properties in Aqueous Solutions

Surface modification of mild steel by co-deposition using Zn-ZnO-Ant hill particulate composite coating in simulated sea water

VS Aigbodion、S. I. Neife、IY Suleiman2018-08-06Proceedings of the Institution of Mechanical Engineers Part M Journal of Engineering for the Maritime Environment

Naval ships are constructed with mild steel. Corrosion is a major concern in a marine environment. This particular type of material degradation has recently received more attention by the marine industry. Effort is make my researchers to combat this problem. In this work, co-deposition of Zn-ZnO-Ant hill powder compos…

ZnO doping and propertiesCorrosion Behavior and InhibitionMetal and Thin Film Mechanics

Comparison of Doping Levels of Single‐Walled Carbon Nanotubes Synthesized by Arc‐Discharge and Chemical Vapor Deposition Methods by Encapsulated Silver Chloride

Marianna V. Kharlamova、Christian Kramberger、Oleg Domanov 等 8 位作者2018-08-06physica status solidi (b)

In this paper, we have performed the filling of single‐walled carbon nanotubes (SWCNTs) with mean diameters of 1.4 and 1.9 nm synthesized by the arc‐discharge and chemical vapor deposition (CVD) methods, respectively, with silver chloride. The doping effect of the encapsulated compound on SWCNTs is studied by Raman sp…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Adsorption Mechanism of Oil-in-Water on a TiO2/Al2O3–Polyvinylidene Fluoride (PVDF) Ultrafiltration Membrane

Xuesong Yi、Yuguang Zhu、Dexin Wang 等 6 位作者2018-08-06Langmuir

For the sake of gaining a clear idea of the adsorption mechanism involved with an oil emulsion-membrane system, Daqing crude oil emulsion and two types of polyvinylidene fluoride (PVDF) ultrafiltration membranes made in our laboratory were used as the objects to pursue the adsorption characteristics in this system. Se…

Surface Modification and SuperhydrophobicityEnhanced Oil Recovery TechniquesHigh voltage insulation and dielectric phenomena

Simultaneous determination of thermal conductivity and shear viscosity using two-gradient non-equilibrium molecular dynamics simulations

Martin P. Lautenschlaeger、Martin Horsch、Hans Hasse2018-08-06Molecular Physics

A method for the simultaneous determination of the thermal conductivity λ and the shear viscosity η of fluids by non-equilibrium molecular dynamics simulations is presented and tested using the Lennard-Jones truncated and shifted fluid as example. The fluid is studied under the simultaneous influence of a temperature…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesThermal properties of materials

Electron microscopy and ultraviolet photoemission spectroscopy studies of native oxides on GaN(0001)

Yoshihiro Irokawa、Kazutaka Mitsuishi、Taku Suzuki 等 9 位作者2018-08-06Japanese Journal of Applied Physics

Abstract We investigated native oxides on GaN(0001) using high-resolution scanning transmission electron microscopy (STEM) and ultraviolet photoemission spectroscopy (UPS). As a result, it was confirmed that the native oxides on both n-type and p-type GaN(0001) with a thickness of ∼1 nm were not amorphous but crystall…

ZnO doping and propertiesGaN-based semiconductor devices and materialsGa2O3 and related materials

Enhancement of thermal conductivity across the metal-insulator transition in vanadium dioxide

Lu Chen、Ziji Xiang、Colin Tinsman 等 7 位作者2018-08-06Applied Physics Letters

Metal-to-insulator transition (MIT) in vanadium dioxide (VO2) was investigated by electrical and thermal transport measurements. We report an order-of-magnitude enhancement of thermal conductivity across the MIT region in the VO2 single crystal. The magnetic field dependent measurement reveals that the thermal conduct…

Gas Sensing Nanomaterials and SensorsAdvanced Memory and Neural ComputingTransition Metal Oxide Nanomaterials

From MoO2@MoS2 Core–Shell Nanorods to MoS2 Nanobelts

Jiao Shi、Di Wu、Xiaoming Zheng 等 10 位作者2018-08-06physica status solidi (b)

One‐dimensional (1D) atomically thin crystals have attracted considerable interests due to their unique properties and potential applications. For example, reducing graphene physical size down to nanoscale to nanoribbons opens up band gaps, which makes graphene useful in electronic devices. Here, a facile approach to…

Graphene research and applications2D Materials and ApplicationsMXene and MAX Phase Materials

Gamma ray shielding studies on 26.66 B2O3–16GeO2–4Bi2O3–(53.33–x) PbO–xPbF2 glass system using MCNPX, Geant4 and XCOM

Ashok Kumar、Supreet Pal Singh、Y. Elmahroug 等 6 位作者2018-08-06Materials Research Express

In the present work, MCNPX and Geant4 have been used to calculate the mass attenuation coefficient of 26.66 B 2 O 3 –16GeO 2 –4Bi 2 O 3 –(53.33–x) PbO–xPbF 2 (x = 0, 15, 30, 40 mol %) glasses at 0.122, 0.356, 0.511, 0.662, 0.84, 1.17, 1.275 and 1.33 MeV photon energies. The obtained results have been compared with the…

Radiation Shielding Materials AnalysisAdvanced X-ray and CT ImagingNuclear materials and radiation effects

Synthesis and characterization of different metal oxide and GO composites for removal of toxic metal ions

Abhishek Rajput、Prem P. Sharma、Vikrant Yadav 等 5 位作者2018-08-06Separation Science and Technology

This manuscript deals with graphene oxide (GO) and GO–metal oxide composite for heavy metal adsorption. Metal oxide–GO composites e.g. Fe3O4–GO and Mn3O4–GO have been prepared and explored for heavy metals e.g. lead, chromium, nickel, cadmium etc. adsorption from the water. Metal oxide–GO composites have been prepared…

Adsorption and biosorption for pollutant removalGraphene research and applicationsNanomaterials for catalytic reactions

Host Response and Neo-Tissue Development during Resorption of a Fast Degrading Supramolecular Electrospun Arterial Scaffold

Renée Duijvelshoff、Nicole C. A. van Engeland、Karen Gabriels 等 7 位作者2018-08-06Bioengineering

In situ vascular tissue engineering aims to regenerate vessels "at the target site" using synthetic scaffolds that are capable of inducing endogenous regeneration. Critical to the success of this approach is a fine balance between functional neo-tissue formation and scaffold degradation. Circulating immune cells are i…

Bone Tissue Engineering MaterialsElectrospun Nanofibers in Biomedical ApplicationsSupramolecular Self-Assembly in Materials

Substituent‐directed ESIPT‐coupled Aggregation‐induced Emission in Near‐infrared‐emitting Quinazoline Derivatives

Bhupendra Kumar Dwivedi、Vishwa Deepak Singh、Rajendra Prasad Paitandi 等 4 位作者2018-08-06ChemPhysChem

Abstract A series of ESIPT (excited state intramolecular proton transfer) active systems ( HQz1 – HQz6 ) derived from quinazoline have been reported. The ESIPT emission for these derivatives gets completely quenched in solvents with diverse polarities which have been restored via aggregation‐induced emission (AIE) wit…

Molecular Sensors and Ion DetectionOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent Materials

Size-Dependent Orientational Dynamics of Brownian Nanorods

Christophe Brouzet、Nitesh Mittal、Daniel Söderberg 等 4 位作者2018-08-06ACS Macro Letters

Successful assembly of suspended nanoscale rod-like particles depends on fundamental phenomena controlling rotational and translational diffusion. Despite the significant developments in fluidic fabrication of nanostructured materials, the ability to quantify the dynamics in processing systems remains challenging. Her…

Advanced Cellulose Research StudiesMicrofluidic and Bio-sensing TechnologiesPickering emulsions and particle stabilization

Database‐Driven Materials Selection for Semiconductor Heterojunction Design

Ethan P. Shapera、André Schleife2018-08-06Advanced Theory and Simulations

Abstract Heterojunctions are at the heart of many modern semiconductor devices with tremendous societal impact: Light‐emitting diodes shape the future of energy‐efficient lighting, solar cells are promising for renewable energy, and photoelectrochemistry seeks to optimize efficiency of the water‐splitting reaction. De…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsMachine Learning in Materials Science

Observation of High Seebeck Coefficient and Low Thermal Conductivity in [SrO]-Intercalated CuSbSe2 Compound

Kejun Bu、Jian Huang、Mengjia Luo 等 12 位作者2018-08-06Chemistry of Materials

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTObservation of High Seebeck Coefficient and Low Thermal Conductivity in [SrO]-Intercalated CuSbSe2 CompoundKejun BuKejun BuState Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shang…

Advanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin FilmsMagnetic and transport properties of perovskites and related materials