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Onset of simple liquid behaviour in modified water models

Saurav Prasad、Charusita Chakravarty2014-04-22The Journal of Chemical Physics

The transition to simple liquid behaviour is studied in a set of modified hybrid water models where the potential energy contribution of the Lennard-Jones dispersion-repulsion contribution is progressively enhanced relative to the electrostatic contribution. Characteristics of simple liquid behaviour that indicate the…

Material Dynamics and PropertiesTheoretical and Computational PhysicsSpectroscopy and Quantum Chemical Studies

Theory of cylindrical dense packings of disks

A. Mughal、D. Weaire2014-04-22Physical Review E

We have previously explored cylindrical packings of disks and their relation to sphere packings. Here we extend the analytical treatment of disk packings, analyzing the rules for phyllotactic indices of related structures and the variation of the density for line-slip structures, close to the symmetric ones. We show t…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesTheoretical and Computational Physics

Synthesis and Intrinsic Peroxidase-Like Activity of Sisal-Like Cobalt Oxide Architectures

Qi Wang、Suwen Liu、Haiyan Sun 等 4 位作者2014-04-22Industrial & Engineering Chemistry Research

Sisal-like architectures of cobalt hydroxide carbonate precursors were prepared using Co(NO 3 ) 2 ·6H 2 O and CO(NH 2 ) 2 as raw meterials via a hydrothermal process, and the precursor could be transformed to Co 3 O 4 nanoparticles by calcination, while maintaining the original morphology. The as-prepared sample was c…

Electrochemical sensors and biosensorsNanocluster Synthesis and ApplicationsAdvanced Nanomaterials in Catalysis

Electrochromic enhancement of poly(3,4‐ethylenedioxythiophene) films functionalized with hydroxymethyl and ethylene oxide

Shimin Zhang、Jingkun Xu、Baoyang Lu 等 7 位作者2014-04-22Journal of Polymer Science Part A Polymer Chemistry

ABSTRACT 2‐((2,3‐Dihydrothieno[3,4‐ b ]dioxin‐2‐yl)methoxy)methyl oxirane (EDOT‐MO) was successfully synthesized by the reaction of epichlorohydrin with hydroxymethylated‐3,4‐ethylenedioxylthiophene (EDOT‐MeOH), which was synthesized via a simple four‐step sequence. Poly(hydroxymethylated‐3,4‐ethylenedioxylthiophene)…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsTransition Metal Oxide Nanomaterials

Density functional theory study of chemical sensing on surfaces of single-layer MoS2 and graphene

Faisal Mehmood、Ruth Pachter2014-04-22Journal of Applied Physics

In this work, density functional theory (DFT) calculations have been used to investigate chemical sensing on surfaces of single-layer MoS2 and graphene, considering the adsorption of the chemical compounds triethylamine, acetone, tetrahydrofuran, methanol, 2,4,6-trinitrotoluene, o-nitrotoluene, o-dichlorobenzene, and…

Graphene research and applications2D Materials and ApplicationsGas Sensing Nanomaterials and Sensors

Modified Poly(ε-caprolactone)s: An Efficient and Renewable Access via Thia-Michael Addition and Baeyer–Villiger Oxidation

Mathias Winkler、Yasmin S. Raupp、Lenz A. M. Köhl 等 5 位作者2014-04-22Macromolecules

The preparation of a novel class of ε-caprolactone (CL) monomers, modified at the β-position of the ester function, is described. The efficient thia-Michael addition to cyclohex-2-en-1-one and subsequent Baeyer–Villiger oxidation provided the regioselectively modified CL monomers. To enable a sustainable Baeyer–Villig…

biodegradable polymer synthesis and propertiesCatalysis for Biomass ConversionCarbon dioxide utilization in catalysis

Paper-based ultracapacitors with carbon nanotubes-graphene composites

Jian Li、Xiaoqian Cheng、J. W. Sun 等 7 位作者2014-04-22Journal of Applied Physics

In this paper, a paper-based ultracapacitors were fabricated by the rod-rolling method with the ink of carbon nanomaterials, which were synthesized by arc discharge under various magnetic conditions. Composites of carbon nanostructures, including high-purity single-walled carbon nanotubes (SWCNTs) and graphene flakes…

Supercapacitor Materials and FabricationAdvanced Sensor and Energy Harvesting MaterialsElectrospun Nanofibers in Biomedical Applications

Photoluminescence properties and crystallization of silicon quantum dots in hydrogenated amorphous Si-rich silicon carbide films

Guozhi Wen、Xiangbin Zeng、Xixin Wen 等 4 位作者2014-04-22Journal of Applied Physics

Silicon quantum dots (QDs) embedded in hydrogenated amorphous Si-rich silicon carbide (α-SiC:H) thin films were realized by plasma-enhanced chemical vapor deposition process and post-annealing. Fluorescence spectroscopy was used to characterize the room-temperature photoluminescence properties. X-ray photoelectron spe…

Semiconductor materials and devicesThin-Film Transistor TechnologiesSilicon Nanostructures and Photoluminescence

Oxide Wizard: An EELS Application to Characterize the White Lines of Transition Metal Edges

Lluís Yedra、E. Xuriguera、Marta Estrader 等 10 位作者2014-04-22Microscopy and Microanalysis

Physicochemical properties of transition metal oxides are directly determined by the oxidation state of the metallic cations. To address the increasing need to accurately evaluate the oxidation states of transition metal oxide systems at the nanoscale, here we present "Oxide Wizard." This script for Digital Micrograph…

Semiconductor materials and devicesElectron and X-Ray Spectroscopy TechniquesElectronic and Structural Properties of Oxides

Antiferroelectric phase transitions in single crystals PbZrO3:Sn revisited

Irena Jankowska‐Sumara2014-04-22Phase Transitions

This paper is a review of earlier results which have been completed with recent investigations on the nature and sequence of phase transitions evolving in the antiferroelectric PbZr1–xSnxO3 single crystals (0 < x < 0.35). It was found that these crystals undergo several first-order phase transitions. To investigate th…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Maintaining Structural Stability of Poly(lactic acid): Effects of Multifunctional Epoxy based Reactive Oligomers

Sahas Rathi、E. Bryan Coughlin、Shaw Ling Hsu 等 6 位作者2014-04-22Polymers

In order to reduce the effects of hydrolytic degradation and to maintain sufficient viscosity during processing of biomass based poly(l-lactic acid) (PLLA), various epoxy functional reactive oligomers have been characterized and incorporated into the degraded fragments as chain extenders. The molecular weight of PLLA…

biodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysisPolymer Foaming and Composites

Mechanistic aspects of biogenic synthesis of CdS nanoparticles using Bacillus licheniformis

Ravi Mani Tripathi、Akhshay Singh Bhadwal、Priti Singh 等 6 位作者2014-04-22Advances in Natural Sciences Nanoscience and Nanotechnology

A novel eco-friendly effort has been made for the synthesis of cadmium sulfide (CdS) nanoparticles using bacterial biomass. Although some articles have been reported on CdS nanoparticles synthesis by bacteria, here we have synthesized CdS nanoparticles using non-pathogenic bacteria Bacillus licheniformis MTCC 9555. UV…

Nanoparticles: synthesis and applicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Systemic Immune Effects of Titanium Dioxide Nanoparticles after Repeated Intratracheal Instillation in Rat

Yanyun Fu、Yanqiu Zhang、Xuhong Chang 等 9 位作者2014-04-22International Journal of Molecular Sciences

The potential immune effects of titanium dioxide nanoparticles (nano-TiO₂) are raising concern. Our previous study verified that nano-TiO₂ induce local immune response in lung tissue followed by intratracheal instillation administration. In this study, we aim to evaluate the systemic immune effects of nano-TiO₂. Sprag…

Nanoparticles: synthesis and applicationsAir Quality and Health ImpactsAnesthesia and Neurotoxicity Research

Surface-Specific Deposition of Catalytic Metal Nanocrystals on Hollow Carbon Nanospheres via Galvanic Replacement Reactions of Carbon-Encapsulated MnO Nanoparticles

Dong-Gyu Lee、Soo Min Kim、Hwakyeung Jeong 等 5 位作者2014-04-22ACS Nano

This paper reports the findings of our efforts toward gaining a more complete understanding and utilization of galvanic replacement reactions involving manganese oxide with noble metals. It was revealed that the site of metal deposition is significantly affected by the variable oxidation state of manganese oxide. The…

Electrocatalysts for Energy ConversionCarbon Nanotubes in CompositesCatalytic Processes in Materials Science

Toward Tailored Functional Design of Multi-Walled Carbon Nanotubes (MWNTs): Electrochemical and Antimicrobial Activity Enhancement via Oxidation and Selective Reduction

Leanne M. Gilbertson、David G. Goodwin、André D. Taylor 等 5 位作者2014-04-22Environmental Science & Technology

Multiwalled carbon nanotubes (MWNTs) are utilized in a number of sectors as a result of their favorable electronic properties. In addition, MWNT antimicrobial properties can be exploited or considered a potential liability depending on their intended application and handling. The ability to tailor electrochemical and…

Carbon Nanotubes in CompositesNanoparticles: synthesis and applicationsElectrochemical Analysis and Applications

Self-Assembly of Nanoparticles: A Snapshot

Nicholas A. Kotov、Paul S. Weiss2014-04-22ACS Nano

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTSelf-Assembly of Nanoparticles: A SnapshotNicholas A. Kotov and Paul S. WeissCite this: ACS Nano 2014, 8, 4, 3101–3103Publication Date (Web):April 22, 2014Publication History Published online22 April 2014Published inissue 22 April 2014https://pubs.acs.org/doi/10.1021/nn502057r…

Supramolecular Self-Assembly in MaterialsNanocluster Synthesis and ApplicationsPolydiacetylene-based materials and applications

Plasmon‐Driven Selective Reductions Revealed by Tip‐Enhanced Raman Spectroscopy

Mengtao Sun、Zhenglong Zhang、Li Chen 等 7 位作者2014-04-22Advanced Materials Interfaces

We successfully realized in‐situ monitoring plasmon‐driven selective reduction of 2,4‐dinitrobenzenethiol to 2,2′‐diamino‐dimercaptoazobenzene, revealed by high vacuum tip‐enhanced Raman spectroscopy (HV‐TERS). The HV‐TER spectra revealed that the 2‐nitro and the 4‐nitro of 2,4‐DNBT were selectively reduced to the 2‐a…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchSpectroscopy Techniques in Biomedical and Chemical Research

Ultrafast Atomic Layer-by-Layer Oxygen Vacancy-Exchange Diffusion in Double-Perovskite LnBaCo2O5.5+δ Thin Films

Shanyong Bao、Chunrui Ma、Garry Chen 等 11 位作者2014-04-22Scientific Reports

Surface exchange and oxygen vacancy diffusion dynamics were studied in double-perovskites LnBaCo2O5.5+δ (LnBCO) single-crystalline thin films (Ln = Er, Pr; -0.5 < δ < 0.5) by carefully monitoring the resistance changes under a switching flow of oxidizing gas (O2) and reducing gas (H2) in the temperature range of 250 ~…

Advancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Variable Framework Structures and Centricities in Alkali Metal Yttrium Selenites, AY(SeO3)2 (A = Na, K, Rb, and Cs)

Seong‐eun Bang、Dong Woo Lee、Kang Min Ok2014-04-22Inorganic Chemistry

Pure samples of a series of yttrium selenites, AY(SeO3)2 (A = Na, K, Rb, and Cs), were prepared through hydrothermal reactions using A2CO3, Y(NO3)3·6H2O, and SeO2. All four materials have 3D framework structures; however, they exhibit different channel geometries. The three-dimensional framework of NaY(SeO3)2 consists…

Crystal Structures and PropertiesSolid-state spectroscopy and crystallographyInorganic Fluorides and Related Compounds

Revolutionizing the FRET-Based Light Emission in Core-Shell Nanostructures via Comprehensive Activity of Surface Plasmons

Saji Thomas Kochuveedu、Taehwang Son、Youmin Lee 等 6 位作者2014-04-22Scientific Reports

We demonstrate the surface-plasmon-induced enhancement of Förster resonance energy transfer (FRET)using a model multilayer core-shell nanostructure consisting of an Au core and surrounding FRET pairs, i.e., CdSe quantum dot donors and S101 dye acceptors. The multilayer configuration was demonstrated to exhibit synergi…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchQuantum Dots Synthesis And Properties