Materials Literature
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Semiconducting polymer nanoparticles (SPNs) emitting in the second near-infrared window (NIR-II, 1000–1700 nm) are promising materials for deep-tissue optical imaging in mammals, but the brightness is far from satisfactory. Herein, we developed a molecular design strategy to boost the brightness of NIR-II SPNs: struct…
Organic semiconductors require an energetic offset in order to photogenerate free charge carriers efficiently, owing to their inability to effectively screen charges. This is vitally important in order to achieve high power conversion efficiencies in organic solar cells. Early heterojunction-based solar cells were lim…
Abstract One promising way to store and distribute large amounts of renewable energy is water electrolysis, coupled with transport of hydrogen in the gas grid and storage in tanks and caverns. The intermittent availability of renewal energy makes it difficult to integrate it with established alkaline water electrolysi…
Abstract Sodium-based dual-ion batteries (Na-DIBs) show a promising potential for large-scale energy storage applications due to the merits of environmental friendliness and low cost. However, Na-DIBs are generally subject to poor rate capability and cycling stability for the lack of suitable anodes to accommodate lar…
Phthalates are a huge class of chemicals with a wide spectrum of industrial uses, from the manufacture of plastics to food contact applications, children's toys, and medical devices. People and animals can be exposed through different routes (i.e., ingestion, inhalation, dermal, or iatrogenic exposure), as these compo…
Skin wound healing shows an extraordinary cellular function mechanism, unique in nature and involving the interaction of several cells, growth factors and cytokines. Physiological wound healing restores tissue integrity, but in many cases the process is limited to wound repair. Ongoing studies aim to obtain more effec…
The reaction between chamotte and active carbon at high temperature and low oxygen partial pressure conditions has been investigated. Both components react at temperatures above 1400 °C where cristobalite is reduced by the carbon while increases the mullite content. At 1600 °C mullite tends to disappear due to the red…
Isotactic polypropylene, iPP, exists as linear polymer or with side chains, long-chain branches, LCB. In the melt state, LCBs increase physical interactions between different chains, the entanglements. Under melt deformation, entanglements provide melt strength, a useful property for conversion processes like blow mol…
Existing computed results for formic acid (HCOOH) dehydration on Pt catalysts cannot explain the facile CO poisoning effect. By DFT calculations, this work studied HCOOH dehydration on a Pt(111) surface assisted by co-adsorbed HCOOH or H2O molecules. The calculated results show that CO is formed via intermolecular deh…
Recent experimental advances probing coherent phonon and electron transport in nanoscale devices at contact have motivated theoretical channel-based analyses of conduction based on the nonequilibrium Green's function formalism. Transmission through each channel is known to be bounded above by unity, yet in practice us…
Abstract In recent years, several tetracyanobuta‐1,3‐diene (TCBD) conjugates have been prepared by linking the tetracyano unit to various electroactive moieties. These push–pull conjugates, besides showing interesting physicochemical properties, are axially chiral, a feature arising from the restricted rotation around…
Dense and uniform diamond nanocone arrays on titanium substrate were constructed by using bias-assisted reactive ion etching (RIE) of diamond films in a microwave plasma chemical vapor deposition (MPCVD) system. A hydrogen/argon mixture was employed as work gas with ratio of 3/1. The formation of nanocone structure wa…
This work reports on the thermal analysis of epoxy containing polyvinyl chloride (PVC) surface-functionalized magnetic nanoparticles (PVC–S/MNP) and its bulk-modified nickel-doped counterpart (PVC–S/MNP/Bi–B). Nanoparticles were synthesized through the cathodic electro-deposition method. The morphology of particles wa…
The microstructural evolution and alloying element partitioning in the α + β ↔ β phase transformation of Ti-17 alloy were explored under continuous heating and cooling conditions using the dilatometric method. Scanning electron microscopy and transmission electron microscopy were used to evaluate microstructural chara…
AgI can transform a face-centred cubic lattice structure under pressures in the range 0.4–11.3 GPa. These phases also exhibit high ionic conductivities, particularly at high temperatures. The full-potential linear muffin-tin-orbital (FP-LMTO) method is used to investigate the ion conduction mechanisms of AgI under hig…
The technology of filling drinks without preservatives (such as fresh juices, iced tea drinks, vitaminized drinks) is carried out using hot filling. Mainly due to the production costs and lower carbon footprint, polyethylene terephthalate bottles, commonly called PET, are increasingly used in this technology. In this…
In this manuscript, we discussed an ab initio analysis of the structural, electronic, optical and magnetic properties of LnO (Ln = Eu, Dy) compounds. Our assessments were performed by the augmented plane wave method FP LAPW founded on the DFT (density functional theory) and introduced in the Wien2k calculation code. T…
Abstract Understanding how transition metals bind and activate dioxygen (O2) is limited by experimental and theoretical uncertainties, making accurate quantum mechanical descriptors of interest. Here we report coupled‐cluster CCSD(T) energies with large basis sets and vibrational and relativistic corrections for 160 3…
In this article, graphite-reinforced Al 2 O 3 ceramic materials were prepared by directed laser deposition. The effects of graphite addition (3–12 wt.%) on the phase composition, microhardness and fracture toughness of Al 2 O 3 ceramics were studied. The results showed that the process was beneficial for maintaining u…
Abstract The image-based inertial impact test has previously shown that inertial effects generated with high-strain-rate loading can be used to measure the dynamic constitutive properties of composites at strain rates on the order of $$1600\,{\rm s}^{-1}$$ 1600 s - 1 . This work represents an important next step in ex…