Materials Literature
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By using density functional theory, we show that the exceptionally low value of the total magnetic moment of ${\mathrm{Fe}}_{13}{}^{+}$ observed in an experiment [Phys. Rev. Lett. 108, 057201 (2012)] is not due to antiferromagnetic coupling between the spins of the core and surface atoms as hypothesized but is due to…
Abstract Single‐wall carbon nanotubes with polyiodide chains inside are interesting from two points of view. According to predictions, first, the iodine structure type inside the nanotube is determined by the nanotube geometry. Second, after iodination all nanotubes become metallic. In this work, we made an attempt to…
BACKGROUND AND PURPOSE: Induction of multidrug resistance by doxorubicin (DOX), together with non-specific toxicities, has restricted DOX-based chemotherapy. Recently, we demonstrated that DOX conjugated with an EGF receptor-binding peptide (DOX-EBP) had enhanced anticancer efficacy and reduced systemic toxicity when…
The 2-way diesel particulate filter/selective catalytic reduction (DPF/SCR) emission reduction system has been considered as a potential candidate for future emission standards owing to its advantages in cost savings and packaging flexibility. For the 2-way device, Cu–zeolite is coated inside the DPF substrate as nitr…
Advances in clinical diagnostic instrumentation have enabled some imaging modalities to be run concurrently. For diagnostic purposes, multimodal imaging can allow for rapid location and accurate identification of a patient's illness. The paramagnetic and near Infra-red (NIR) properties of Dy(III) and Yb(III) are inter…
Amine elimination of rare earth tris(silylamide) complexes Ln[N(SiHMe(2))(2)](3)(THF)(2) (Ln = La, Sm, Er, Lu) with 1 equiv. of the pyridyl-functionalized indenyl ligand C(9)H(7)CMe(2)CH(2)C(5)H(4)N-α afforded a series of neutral mono-indenyl-ligated rare earth metal bis(silylamide) complexes (C(9)H(6)CMe(2)CH(2)C(5)H…
Hard ferromagnetic behavior is reported for crystalline Hf2Co11B produced by melt-spinning. For the highest-performing material, remanent magnetization, intrinsic coercive field, and maximum energy product at room temperature are 6.2 kG, 4.5 kOe, and 6.7 MGOe, respectively. This is the highest reported energy product…
In the present study, the free vibration characteristics of single- and double-walled carbon nanotubes (SWCNTs and DWCNTs) are investigated on the basis of a nonlocal elastic shell model. Eringen’s nonlocal elasticity equations are applied to the classical Donnell shell theory to incorporate the size-effects into the…
We present a generalized approach to compute the shape and internal structure of two-dimensional nematic domains. By using conformal mappings, we are able to compute the director field for a given domain shape that we choose from a rich class, which includes drops with large and small aspect ratios and sharp domain ti…
It is well established that carbon nitride (CN) is a potential superhard material as its bond in network structures is slightly shorter than the C-C bond in diamond. However, the structure of superhard CN materials is yet to be determined experimentally. We have performed an extensive structural search for the high pr…
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Spin-state transitions are the hallmark of rare-earth cobaltates. In order to understand them, it is essential to identify all relevant parameters which shift the energy balance between spin states and determine their trends. We find that $\ensuremath{\Delta}$, the ${e}_{g}$-${t}_{2g}$ crystal-field splitting, increas…
A novel, nitrate-free, combustion method has been developed to prepare Ni–BaZr0.85Y0.15O3−δ (Ni–BZY) cermet anodes for proton ceramic fuel cells. Nickel acetate and 30% H2O2 were used as starting precursors for the combustion reaction into which pre-prepared BZY powders were dispersed. The advantages of this nitrate-f…
This study describes the application of a hybrid neuro-fuzzy inference system to control electrospinning process and how to use this approach for developing an electrospun fiber quality prediction system. An adaptive neuro-fuzzy inference system model has been applied to the use of electrospinning process parameters t…
Monolayers of tungsten disulfide doped with atomic vacancies have been investigated for the first time by density functional theory calculations. The results reveal that the atomic vacancy defects affect the electronic and optical properties of the tungsten disulfide monolayers. The strongly ionic character of the W-S…
The objective of this study was to develop nanosized CaO, MgO, and NiO catalysts for tar removal in biomass gasification, significantly enhancing the quality of the produced gases. Catalysts were tested in a fixed-bed reactor for biomass tar steam reforming. Toluene was chosen as a model syngas tar compound. For this…
Lattice oxygen of TiO 2 is activated by the substitution of Pd ion in its lattice. Ti 1– x Pd x O 2– x ( x = 0.01–0.03) have been synthesized by solution combustion method crystallizing in anatase TiO 2 structure. Pd is in +2 oxidation state and Ti is in +4 oxidation state in the catalyst. Pd is more ionic in TiO 2 la…
We report on the fabrication and electrical characterization of both single layer graphene micron-sized devices and nanoribbons on a hexagonal boron nitride substrate. We show that the micron-sized devices have significantly higher mobility and lower disorder density compared to devices fabricated on silicon dioxide s…
The dynamics of the medium within a collapsing and rebounding cavitation bubble is investigated by means of molecular dynamics (MD) simulations adopting a hard sphere model for the species inside the bubble. The dynamics of the surrounding liquid (water) is modelled using a Rayleigh–Plesset (RP)-type equation coupled…
Blue-emitting phosphors of the Ce(3+)-activated phosphosilicate Sr(5)(PO(4))(2)SiO(4) with an apatite structure were prepared via a conventional solid-state reaction method. The X-ray diffraction (XRD), scanning electron microscopy (SEM), photoluminescence (PL) spectra, time-resolved luminescence, thermal quenching an…