Materials Literature
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Abstract A series of Y 3+ -absent/doped NaLuF 4 :Yb 3+ , Tm 3+ nano/micro-crystals were prepared via a hydrothermal process with the assistance of citric acid. Cubic nanospheres, hexagonal microdisks, and hexagonal microprisms can be achieved by simply adjusting the reaction temperature. The effect of Y 3+ doping on t…
Glasses with chemical composition of (60-x)P 2 O 5 -25ZnO-(15+x)Li 2 O with 0.0 ≤ x ≤ 5.0 mol % are prepared by melt quenching technique. The physical properties, by mean of density and molar volume are determined. The amorphous nature, absorption and structural behaviour are characterized using X-ray Diffraction (XRD…
Carbon nanotubes have certain properties, such as 150 GPa tensile strength, a 1000 GPa shear modulus, an electrical conductivity of 60 S/m, and a high thermal conductivity of 2500 W/mk, that make them an optimum metallic matrix composite reinforcement. Otherwise, arc welding is a common industrial process that joins a…
Abstract Lokalisierte molekulare Selbstorganisationsprozesse, die zum Wachstum von Nanostrukturen ausschließlich an der Oberfläche eines Materials führen, sind eine der großen Herausforderungen in der Oberflächenchemie. In den letzten zehn Jahren wurde in mehreren Studien berichtet, wie modifizierte oder unmodifiziert…
Understanding (super-)exchange coupling between local spins is an important task in theoretical chemistry and solid-state physics. We show that a Green's-function approach introduced earlier (Liechtenstein et al., J. Phys. F 1984, 14, L125; Steenbock et al., J. Chem. Theory Comput. 2015, 11, 5651) can be used for anal…
We studied the thermo-elastic properties of Ru 2 FeZ (Z[Formula: see text]=[Formula: see text]Si, Ge, Sn) Heusler alloys within the framework of density functional theory. Thermo-elastic properties corresponding to elastic modulus, anisotropy, phase stability, elastic wave velocities, thermal stability, Debye temperat…
The scaling law of minor loops was studied on an amorphous alloy Co66Fe3Cr3Si15B13 with a very high initial permeability (more than 150000) and low coercivity (about 0.1 A/m). An analytical expression for the coercive force in the Rayleigh region was derived. The coercive force is connected with the maximal magnetic f…
Few-layer MoS2 nanosheets have been successfully synthesized by a facile anionic surfactantassisted hydrothermal approach. The as-prepared samples are characterized by X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). It is found that the anioni…
For understanding the structure, dynamics, and thermal stability of (AgAu)55 nanoalloys, knowledge of the composition-temperature (c-T) phase diagram is essential due to the explicit dependence of properties on composition and temperature. Experimentally, generating the phase diagrams is very challenging, and therefor…
Since the up-conversion phenomenon in rare-earths (REs) doped ${\mathrm{NaYF}}_{4}$ is strongly affected by the crystal electric field (CF), determining the CF parameters, wave functions, and scheme of the energy levels of the RE $J$ multiplets could be crucial to improve and tune the up-conversion efficiency. In this…
There is a significant effect of particle size on the solid–solid phase transition of nanocrystals, but the precise relations of integral enthalpy and entropy of phase transition with particle size have not been reported. In this paper, we deduced the fundamental equations of the integral enthalpy and entropy of solid…
In this report, we studied Raman and impedance spectroscopy under applied dc bias for poly(vinyl carbazole):titania quantum dots (PVK:TiO 2 -QDs) nanocomposites to understand the electrical transport in this donor:acceptor system as promising active layer materials for polymeric solar cells. The nanocomposites were sy…
Superparamagnetic iron oxide nanoparticles (SPIONs) are actively used as highly sensitive imaging probes to provide contrast in MRI. In this study, we propose the use of SPIONs encapsulated with antibody-conjugated poly(lactic-co-glycolic acid) (PLGA) as a potent theragnostic agent. The SPIONs were synthesized by a ch…
Time-dependent density functional theory (TD-DFT) calculations are presented for a series of Prussian blue analogues (PBAs) based on hexacyanochromate in order to investigate optical metal-to-metal charge-transfer (MMCT) transitions. PBE0 hybrid DFT calculations at fixed geometry were carried out on binuclear units of…
Molecular-level insight into the interactions of phospholipid molecules with cellulose is crucial for the development of novel cellulose-based materials for wound dressing. Here we employ the state-of-the-art computer simulations to unlock for the first time the molecular mechanisms behind such interactions. To this e…
Four new expanded [28π] m-benziporphyrins (1.0.0.1.1.1) were synthesized by [3+3] condensation of 10,10'-bis[(p-toly)hydroxymethyl]-1,3-bis(2-thienyl)benzenediol with various 16-tripyrranes such as 16-thiatripyrrane, 16-oxatripyrrane, 16-azatripyrrane, and 16-selenatripyrrane under mild trifluoroacetic acid-catalyzed…
High-resolution electron microscopy requires electron beams with high-brightness. Hence, the authors used a resist-assisted patterning process to fabricate a new high-resolution cold-cathode electron beam with carbon nanotube (CNT) electron emitters. Herein, the authors successfully prepared one free-standing CNT emit…
It is found that thiocyanate (SCN) is an alternative dopant that greatly stabilizes the p‐type semiconducting properties of CuI. Thiocyanate doping can be achieved by a complete removal of the excess iodine and introduction of thiocyanate via suitable precursors at ambient temperature. A method of removal of iodine fr…
One of the most challenging applications for tissue regeneration is spinal cord damage. There is no cure for this, partly because cavities and scar tissue formed after injury present formidable barriers that must be crossed by axons to restore function. Natural silks are considered increasingly for medical application…
The structural, magnetic, and electronic properties of ${\mathrm{NdFe}}_{0.5}{\mathrm{Mn}}_{0.5}{\mathrm{O}}_{3}$ have been studied in a comprehensive manner using various experimental and theoretical methods. Mn/Fe sublattice of the compound orders into a G-type antiferromagnetic phase close to 250 K where the magnet…