Materials Literature
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A computational model is developed to represent the coupled behavior of elementary chemistry, electrochemistry, and transport in the vicinity of solid-oxide fuel cell three-phase boundaries. The model is applied to assist the development and evaluation of charge-transfer reaction mechanisms for Ni–yttria-stabilized zi…
Multiferroics, materials where spontaneous long-range magnetic and dipolar orders coexist, represent an attractive class of compounds, which combine rich and fascinating fundamental physics with a technologically appealing potential for applications in the general area of spintronics. Ab-initio calculations have signi…
We report the design of a platform for the delivery of hydrophobic drugs conjugated to block copolymer micelles via pH-responsive linkage that are assembled within hydrogen-bonded polymer multilayer thin films.
This paper proposes a new hybrid random pulsewidth modulation (PWM) scheme based on a TMS320LF2407 DSP, in order to disperse the acoustic switching noise spectra of an induction motor drive. The proposed random PWM pulses are produced through the logical comparison of a pseudorandom binary sequence (PRBS) bits with th…
To model liquid water correctly and to reproduce its structural, dynamic and thermodynamic properties warrants models that account accurately for electronic polarisation. We have previously demonstrated that polarisation can be represented by fluctuating multipole moments (derived by quantum chemical topology) predict…
The use of bio-renewable resources for the generation of materials and chemicals continues to attract significant research attention. Glycerol, a by-product from biodiesel manufacture, is a highly functionalised renewable raw material, and in this paper the oxidation of glycerol in the presence of base using supported…
A facile hard-templating route has been successfully developed to fabricate uniform hollow mesoporous silica spheres and ellipsoids by using hematite as hard template. The outer diameter of the spherical mesoporous silica particles can be well adjusted in a sub-micrometric range (typically around 100–200nm) by selecti…
This perspective presents recent surface-enhanced Raman spectroscopy (SERS) studies of dyes, with applications to the fields of single-molecule spectroscopy and art conservation. First we describe the development and outlook of single-molecule SERS (SMSERS). Rather than providing an exhaustive review of the literature…
Over the last decade, ecodesign has been introduced as a concept and a methodological framework to identify and improve sustainability in product development. In this context, the 12 principles of green chemistry provide suitable guidelines for the elaboration of molecules and materials in conditions that meet some ec…
The new and unique applications offered by nanotechnology in diverse areas have made it so popular that it is being applied today in almost all aspects of daily life. Although the small size and subsequent larger surface area of nanoparticles (NPs) endow them with some highly useful and specific properties, it also re…
Hydrogels having strong fluorescence were fabricated successfully, for the first time, from cellulose and quantum dots (QDs) in a NaOH/urea aqueous system via a mild chemical cross-linking process. The CdSe/ZnS nanoparticles were embedded firmly in the cellulose matrices, as a result of strong interactions between the…
A novel magnetic nanohybrid involving non-steroid anti-inflammatory drug diclofenac (DIC) intercalated Mg–Al layered double hydroxides (LDH) coated on magnesium ferrite particles was assembled via a one step coprecipitation self-assembly method. The XRD, FT-IR and ICP measurements reveal that the magnetic nanohybrid c…
The Cahn-Hilliard equation with irregular potentials and dynamic boundary conditions is considered and well-posedness results are proved.
We present an approach to calculate the atomic bulk solubility in binary alloys based on the statistical-thermodynamic theory of dilute lattice gas. The model considers all the appropriate ground states of the alloy and results in a simple Arrhenius-type temperature dependence determined by a {\it "low-solubility form…
We have studied the effect of temperature on the aging dynamics of laponite suspensions by carrying out the rheological oscillatory and creep experiments. We observed that at higher temperatures the mechanism responsible for aging became faster thereby shifting the evolution of elastic modulus to lower ages. Significa…
A hyphenated methodology has been developed and validated, which utilizes the extensive size separation range of hydrodynamic chromatography (here: 5–300 nm) combined with the multi-element selectivity of ICP-MS. This has been applied to the analysis of metal-based nanoparticles in environmental samples. The quality o…
Partial discharges (PDs) generate wideband radio-frequency interference which can be used for noninvasive monitoring of discharges. This paper presents a novel method based on this principle for PD monitoring of substations. The significant advantage of this method lies in the ability to detect PD sources in energized…
The development of porphyrin synthesis by means of transition metal-catalyzed reactions is explored in this feature article. Porphyrins have been receiving much attention in a wide area of chemistry as functional dyes, non-linear optical materials, ligands for a variety of metals, structural motifs in supramolecules,…
Hydroxyapatite-supported gold nanoparticles (AuHAP) can act as highly efficient and reusable catalysts for the oxidation of diverse silanes into silanols in water; this is the first catalytic methodology for the selective synthesis of aliphatic silanols using water under organic-solvent-free conditions.
We systematically investigate trends in carbon nitride structures targeting the lowest energy configuration of C3N4. Layered conformations, sp2-bonded, turn out to be more favorable than denser, sp3-bonded, networks. Among layered structures, those comprising the heptazine motif are consistently lower in energy when c…