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Computational screening of magnetocaloric alloys

Christina A. C. Garcia、Joshua D. Bocarsly、Ram Seshadri2020-02-04eScholarship (California Digital Library)

An exciting development over the past few decades has been the use of high-throughput computational screening as a means of identifying promising candidate materials for a variety of structural or functional properties. Experimentally, it is often found that the highest-performing materials contain substantial atomic…

Magnetic and transport properties of perovskites and related materialsCatalysis and Oxidation ReactionsElectronic and Structural Properties of Oxides

Effect of carboxymethyl cellulose on the corrosion behavior of aluminum in H2SO4solution and synergistic effect of potassium iodide

Mohammad Reza Sovizi、Robab Abbasi2020-02-04Journal of Adhesion Science and Technology

The corrosion inhibition of aluminum in 2 M H2SO4 solution by carboxymethyl cellulose (CMC) alone and in combination with iodide ions has been investigated using electrochemical measurements and surface analysis techniques. The results showed that CMC moderately inhibited aluminum corrosion in the H2SO4 solution, and…

Corrosion Behavior and InhibitionConcrete Corrosion and DurabilityAnodic Oxide Films and Nanostructures

Semiempirical Peak Fitting Guided by ab Initio Calculations of X-ray Photoelectron Spectroscopy Narrow Scans of Chemisorbed, Fluorinated Silanes

Brian I. Johnson、Tahereh G. Avval、Joshua J. Wheeler 等 8 位作者2020-02-04Langmuir

Here, we address the issue of finding correct CF 2 /CF 3 area ratios from X-ray photoelectron spectroscopy (XPS) C 1s narrow scans of materials containing −CH 2 CH 2 (CF 2 ) n CF 3 ( n = 0, 1, 2, ...) moieties. For this work, we modified silicon wafers with four different fluorosilanes. The smallest had a trifluoropro…

Electron and X-Ray Spectroscopy TechniquesAdvanced Physical and Chemical Molecular InteractionsChemical and Physical Properties of Materials

The Inside‐Outs of Metal Hydride Dehydrogenation: Imaging the Phase Evolution of the Li‐N‐H Hydrogen Storage System

J. L. White、Alexander A. Baker、Matthew A. Marcus 等 10 位作者2020-02-04Advanced Materials Interfaces

Abstract Complex metal hydrides provide high‐density hydrogen storage, which is essential for vehicular applications. However, the practical application of these materials is limited by thermodynamic and kinetic barriers present during the dehydrogenation and rehydrogenation processes as new phases form inside parent…

Advanced Battery Materials and TechnologiesHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen Reduction

Evaluation of 1‐mm‐diameter endothelialized dense collagen tubes in vascular microsurgery

Xuanyue Li、Jing Xu、Erzsébet Bartolák‐Suki 等 5 位作者2020-02-04Journal of Biomedical Materials Research Part B Applied Biomaterials

Although much progress has been made in engineering vascular grafts for large- and small-diameter arterial repair or bypass, the extension of these results to the microsurgical size scale has been challenging. Here, we evaluated the use of dense collagen tubes (outer diameter 1 mm, inner diameter 0.5 mm) for vascular…

Bone Tissue Engineering MaterialsElectrospun Nanofibers in Biomedical ApplicationsTissue Engineering and Regenerative Medicine

Alternative characterization of the nematic transition in deposition of rods on two-dimensional lattices

Eugenio E. Vogel、Gonzalo Saravia、A. J. Ramírez-Pastor 等 4 位作者2020-02-04Physical review. E

We revisit the problem of excluded volume deposition of rigid rods of length k unit cells over square lattices. Two new features are introduced: (a) two new short-distance complementary order parameters, called Π and Σ, are defined, calculated, and discussed to deal with the phases present as coverage increases; (b) t…

Liquid Crystal Research AdvancementsTheoretical and Computational PhysicsAdvanced Materials and Mechanics

Synthesis of Biocompatible Cholesteryl–Carboxymethyl Xylan Micelles for Tumor-Targeting Intracellular DOX Delivery

Yanzhe Qin、Xinwen Peng2020-02-04ACS Biomaterials Science & Engineering

Patients with cancer suffer from severe side effects and reduced life quality, as chemotherapeutic drugs are cytotoxic toward normal cells as well as toward cancer cells. In recent years, nanoparticles have been explored as targeted drug delivery systems; however, problems such as toxicity and instability prevent thei…

Nanoparticle-Based Drug DeliveryNanoplatforms for cancer theranosticsSupramolecular Self-Assembly in Materials

Polyglycidol of Linear or Branched Architecture Immobilized on a Solid Support for Biomedical Applications

Marcelina Bochenek、Natalia Oleszko-Torbus、Wojciech Wałach 等 6 位作者2020-02-04Journal of macromolecular science. Part C, Reviews in macromolecular chemistry and physics/Journal of macromolecular science. Reviews in macromolecular chemistry and physics

Modern medicine has undoubtedly achieved enormous progress in applying various polymer-based materials for specific applications. Despite this, there is still a need to create systems, especially on the nano-scale, that are simultaneously nontoxic, biocompatible and able to be functionalized with active biomolecules.…

Electrospun Nanofibers in Biomedical ApplicationsPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Synthesis and properties of castor oil‐based polyurethane containing short fluorinated segment

Jia‐Wun Li、Yung‐Hsin Cheng、Hsun‐Tsing Lee 等 6 位作者2020-02-04Journal of Applied Polymer Science

Abstract This study successfully incorporated a short‐segment fluorine‐containing chain extender (2,2,3,3‐tetrafluoro‐1,4‐butanediol [TF]) into castor oil‐based polyurethane (COPU) to synthesize TF/COPUs. The interactions between TF and COPU components were identified by Fourier transform infrared and X‐ray photoelect…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingFiber-reinforced polymer composites

New insight about the relationship between the main characteristics of precursor materials and activated carbon properties using multivariate analysis

Mateus Pereira Flores Santos、Josiane F. Silva、Rafael da Costa Ilhéu Fontan 等 6 位作者2020-02-04The Canadian Journal of Chemical Engineering

Abstract Agro‐industrial wastes are used as carbon precursors in the production of activated carbon because they are rich in lignocellulosic materials. This study aimed to investigate the relationship between the main characteristics of precursor materials and activated carbons by multivariate analysis. After characte…

Food composition and propertiesNatural Fiber Reinforced CompositesLignin and Wood Chemistry

Polymer nanocomposites containing β‐Bi2O3 and silica nanoparticles: Thermal stability, surface topography and X‐ray attenuation properties

Sangeetha Jayakumar、Thangavelu Saravanan、John Philip2020-02-04Journal of Applied Polymer Science

Abstract Silicone polymer‐based nanocomposites containing β‐Bi2O3 nanoparticles with varying concentrations of silica nanoparticles are successfully prepared and characterized for thermal stability, surface topography, and X‐ray attenuation property. Of all the samples studied here, silicone polymer of higher density…

Glass properties and applicationsAdvanced X-ray Imaging TechniquesRadiation Shielding Materials Analysis

A simple and efficient sample preparation for taxanes in Taxus chinensis needles with natural menthol‐based aqueous deep eutectic solvent

Xiao‐Hong Fan、Yuan‐Hang Chang、Litao Wang 等 11 位作者2020-02-04Journal of Separation Science

Abstract Taxanes are natural anticancer constituents, and the sample preparation from matrix normally depends on organochlorine solvents. In this study, green and natural menthol‐based aqueous deep eutectic solvent was synthesized and used for sample preparation for taxanes. Five key parameters were optimized and the…

Mesoporous Materials and CatalysisAnalytical Chemistry and ChromatographyCancer Treatment and Pharmacology

Sustainably‐derived hierarchical porous carbon from spent honeycomb for high‐performance lithium‐ion battery and ultracapacitors

Ezhumalai Duraisamy、Arul Prasath、Vaithiyanathan Sankar Devi 等 5 位作者2020-02-04Energy Storage

Abstract Spent honeycomb biomass as sustainable source is used to generate value added product, such as activated carbon. The generated activated carbon is characterized by X‐ray diffraction, Fourier transformed infra‐red spectroscopy, Raman spectroscopy, Scanning electron microscope, High‐resolution transmission elec…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationAdvanced Battery Technologies Research

Remarkable improved photoelectric performance of SnS 2 field-effect transistor with Au plasmonic nanostructures

Xu Han、Jie Xing、Hong Xu 等 8 位作者2020-02-04Nanotechnology

Abstract The development of photoelectric devices for high integration and miniaturization in the semiconductor industry can be pushed forward by the thriving research of two-dimensional layered metal dichalcogenides (2D-LMDs). SnS 2 nanosheets have an evident photoresponse to both ultraviolet and partial visible ligh…

2D Materials and ApplicationsChalcogenide Semiconductor Thin FilmsNanowire Synthesis and Applications

Morphology and reactivity of size-selected titanium oxide nanoclusters on Au(111)

Kenneth Goodman、Jason Wang、Yilin Ma 等 6 位作者2020-02-04The Journal of Chemical Physics

The morphology and reactivity of mass-selected titania clusters, Ti3O6 and Ti3O5, deposited onto Au(111) were studied by scanning tunneling microscopy and temperature programmed desorption. Despite differing by only one oxygen atom, the stoichiometric Ti3O6 and the sub-stoichiometric (“reduced”) Ti3O5 clusters exhibit…

Advanced Chemical Physics StudiesCatalytic Processes in Materials Sciencenanoparticles nucleation surface interactions

CO Chemisorption on Vicinal Rh(111) Surfaces Studied with a Curved Crystal

Fernando García‐Martínez、Frederik Schiller、Sara Blomberg 等 8 位作者2020-02-04The Journal of Physical Chemistry C

Curved crystal surfaces enable the systematic and accurate comparison of physical and chemical processes for a full set of vicinal crystal planes, which are probed in the very same environment. Here, we examine the early stages of the CO chemisorption on vicinal Rh(111) surfaces using a curved Rh crystal that exposes…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceSurface Chemistry and Catalysis

Self-Assembly and Crystallization of DNA-Coated Colloids via Linker-Encoded Interactions

Janna Lowensohn、Alexander Hensley、Michael Perlow-Zelman 等 4 位作者2020-02-04Langmuir

Coating colloidal particles with DNA is a promising strategy to make functional nanoscale materials because the particles can be programmed to spontaneously self-assemble into complex, ordered structures. In this Article, we explore the phase behavior and types of structures that can be formed when interactions betwee…

Gold and Silver Nanoparticles Synthesis and ApplicationsPolymer Surface Interaction StudiesPickering emulsions and particle stabilization

Anti-crossing property of strong coupling system of silver nanoparticle dimers coated with thin dye molecular films analyzed by electromagnetism

Tamitake Itoh、Yuko S. Yamamoto、Takayuki Okamoto2020-02-04The Journal of Chemical Physics

Evidence of strong coupling between plasmons and molecular excitons for plasmonic nanoparticle (NP) dimers exhibiting ultra-sensitive surface enhanced resonant Raman scattering is the observation of anti-crossing in the coupled resonance. However, experimentally tuning the plasmon resonance of such dimers for the obse…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchStrong Light-Matter Interactions

The Demulsification Properties of Cationic Hyperbranched Polyamidoamines for Polymer Flooding Emulsions and Microemulsions

Bi Yangang、Zhi Tan、Liang Wang 等 8 位作者2020-02-04Processes

Polymer flooding emulsions and microemulsions caused by tertiary oil recovery technologies are harmful to the environment due to their excellent stability. Two cationic hyperbranched polyamidoamines (H-PAMAM), named as H-PAMAM-HA and H-PAMAM-ETA, were obtained by changing the terminal denotation agents to H-PAMAM, whi…

Advanced Polymer Synthesis and CharacterizationSurfactants and Colloidal SystemsDendrimers and Hyperbranched Polymers

Exploring the landscape of Buckingham potentials for silica by machine learning: Soft vs hard interatomic forcefields

Han Liu、Yipeng Li、Zipeng Fu 等 5 位作者2020-02-04The Journal of Chemical Physics

Interatomic forcefields for silicate glasses often rely on partial (rather than formal) charges to describe the Coulombic interactions between ions. Such forcefields can be classified as "soft" or "hard" based on the value of the partial charge attributed to Si atoms, wherein softer forcefields rely on smaller partial…

Material Dynamics and PropertiesGlass properties and applicationsBuilding materials and conservation