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The realization of spin gapless semiconductor (SGS) and half-metal (HM) behavior in two-dimensional (2D) transition metal dichalcogenides (TMDs) is highly desirable for their applications in spintronic devices. Here, using density functional theory calculations, we demonstrate that Fe, Co, Ni substitutional impurities can not only induce magnetism in MoSe2 monolayer, but also convert the semiconducting MoSe2 to SGS/HM system. We also study the effects of mechanical strain on the electronic and magnetic properties of the doped monolayer. We show that for all transition metal (TM) impurities we considered, the system exhibits the robust SGS/HM behavior regardless of biaxial strain values. Moreover, it is found that the magnetic properties of TM-MoSe2 can effectively be tuned under biaxial strain by controlling the spin polarization of the 3d orbitals of Fe, Co, Ni atoms. Tegatrabetan beta-catenin antagonist Our findings offer a new route to designing the SGS/HM properties and modulating magnetic characteristics of the TM-MoSe2 system and may also facilitate the implementation of SGS/HM behavior and realization of spintronic devices based on other 2D materials. © 2020 IOP Publishing Ltd.In this study the electric current-induced wind forces on a unit lattice of a 10-dimer zigzag graphene nanoribbon (ZGNR) are calculated under different magnitudes of electric field and temperatures. Wind forces are calculated using a semi-classical method where quantum mechanics is integrated into Ensemble Monte Carlo (EMC) simulations by considering energy and momentum conservation in both transverse and longitudinal directions of GNR during the electron-phonon scattering process. First order perturbation theory using the Deformation Potential Approximation (DPA) has been used in the calculation of the scattering rates. Results show that under the same electric field, Joule heating power in 10-dimer ZGNR is around 3 magnitudes higher than metallic single-walled carbon nanotubes and the wind forces are 1 magnitude higher. According to the calculated results, the wind force in 10-dimer ZNGR is in the order of 0.0073 eV/Å2 under 20 kV at 300K and it is much lower than the fracture strength of ZGNR from the results of Molecular Dynamics simulations. Thus the failure of GNR under electric current is considered to be mainly due to the Joule heating. © 2020 IOP Publishing Ltd.Magnetoelastic coupling associated with the hexagonal - monoclinic transition in a natural sample of the mineral pyrrhotite, Fe7S8, has been analysed in terms of separate coupling of spontaneous strains with two discrete order parameters,qvfor Fe/vacancy ordering andqmfor magnetic ordering. Coupling of the two order parameters separately with strain gives rise to two terms for coupling between them, λqm2qv2and λqm2qv8, and a pattern of evolution in whichqvvaries continuously andqmdiscontinuously through a single transition point. The transition is ferrimagnetic and ferroelastic but the relatively slow relaxation rate for Fe/vacancy ordering, in comparison with magnetic ordering, results in elastic and anelastic properties which are quite different from those observed in other ferroic or multiferroic materials with two instabilities. Instead of classical elastic softening, there is stiffening of the elastic constants which scales withqm2andqv2. Instead of the normal pattern of acoustic loss associated with the mobility and subsequent freezing for ferroelastic twin walls, the loss is consistently low throughout the temperature range 300 K - 875 K. Creative Commons Attribution license.The design of smart and functional nanocarriers for drug delivery systems that use a variety of organic and inorganic materials has led to the development of nanomedicines with improved therapeutic efficiency and reduced side effects. In this study, a pH- and temperature-responsive, controlled-release system with a high capacity for drug loading was developed based on radially porous silica nanoparticles composed of functionalized ligands and polymer encapsulation. This drug delivery system uses radially oriented mesoporous silica nanoparticles as the drug carrier, and control of the surface chemistry of those nanocarriers allows high-capacity loading efficiency of target drugs and stimuli-responsive release kinetics governed by pH and temperature. The delivery of ibuprofen was chosen to test this system, and a maximum loading efficiency of ca. 270 wt% was established, which was 3 times greater than that in previous studies for silica nanoparticles such as SBA-15, MCA-41, and MCM-48. In addition, the pH- and temperature-responsive release of ibuprofen was achieved when the surface of the nanocarriers was treated by pH-responsive amine functionalization and a temperature-responsive surface coating of agarose gel. Finally, cytotoxicity testing using the fibroblast cells showed that the developed silica nanocarriers have no toxicity on the cells, which should allow these nanocarriers to be applied as a nanomedicine in drug delivery systems. © 2020 IOP Publishing Ltd.Functional reconstruction of craniomaxillofacial defects is challenging, especially for the patients who suffer from traumatic injury, cranioplasty, and oncologic surgery. Three-dimensional (3D) printing/bioprinting technologies provide a promising tool to fabricate bone tissue engineering constructs with complex architectures and bioactive components. In this study, we implemented multi-material 3D printing to fabricate 3D printed PCL/hydrogel composite scaffolds loaded with dual bioactive small molecules (i.e. resveratrol and strontium ranelate). The incorporated small molecules are expected to target several types of bone cells. We systematically studied the scaffold morphologies and small molecule release profiles. We then investigated the effects of the released small molecules from the drug loaded scaffolds on the behavior and differentiation of mesenchymal stem cells (MSCs), monocyte-derived osteoclasts, and endothelial cells. The 3D printed scaffolds, with and without small molecules, were further implanted into a rat model with a critical-sized mandibular bone defect. We found that the bone scaffolds containing the dual small molecules had combinational advantages in enhancing angiogenesis and inhibiting osteoclast activities, and they synergistically promoted MSC osteogenic differentiation. The dual drug loaded scaffolds also significantly promoted in vivo mandibular bone formation after 8-week implantation. This work presents a 3D printing strategy to fabricate engineered bone constructs, which can likely be used as off-the-shelf products to promote craniomaxillofacial regeneration. © 2020 IOP Publishing Ltd.
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