Materials Literature
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In this work, a three-dimensional model of a solid oxide fuel cell (SOFC) stack is developed to predict the temperature distribution across the stack. The model simulates a particular SOFC stack comprising of five single cells. Isothermal and adiabatic walls are chosen as the different boundary conditions in order to…
Scanning tunneling spectroscopy was performed on a (15,0) single wall carbon nanotube partially wrapped by poly(3-hexyl-thiophene). On the bare nanotube section, the local density of states is in good agreement with the theoretical model based on local density approximation and remarkably is not perturbed by the polym…
We report a large voltage gain of 130, together with a high magnetoelectric voltage coefficient of 7.6 V/Oe, in a long-type heterostructure made by combining a coil-wound, length-magnetized magnetostrictive Tb0.3Dy0.7Fe1.92 (Terfenol-D) alloy plate and a length-polarized piezoelectric 0.7Pb(Mg1/3Nb2/3)O3–0.3PbTiO3 sin…
Orthorhombic YMnO3 epitaxial thin films were grown on Nb(0.5%)-doped SrTiO3(001) substrates. Film’s thickness was varied to tune the epitaxial strain. Structural and magnetic properties are well correlated, presenting a more pronounced ferromagnetic behavior as the unit cell becomes more distorted. Dielectric properti…
Simple and inexpensive formation of extended and ordered mono- or multilayers of highly monodispersed CoFe 2 O 4 nanoparticles, covered by oleic acid coating, was obtained by the spin-coating method on silicon substrate. Two concentrations of nanoparticles dispersions were employed. The oleic-capped nanoparticles were…
We investigated the relationship between the absorption in silicon nanocrystals (Si NCs) and the photocurrent of Si NC solar cells. Here, the absorption of Si NCs in the blue and green light regions was enhanced by up to 14 times compared to bulk Si. In addition, the photocurrent in Si NC solar cells was found to orig…
In this work we describe a novel method for highly efficient functionalization of single wall carbon nanotubes (SWCNTs) by DNA wrapping. Exposure of SWCNTs to gamma-irradiation (50 kGy) has lowered by one order of magnitude the amount of single stranded deoxyribonucleic acid (ssDNA) required for SWCNT modification. Th…
We present the synthesis and characterization of a novel metal-organic molecular solid using the ligand 4,8-disulfonaphthalene-2,6-dicarboxylic acid. The solid features a sulfonated, isolated supertetrahedra, [Fe(16)Omicron(4)(SO(4))(12)(L2)(6)], built from mixed-valence [Fe(3)(3+)Fe(2+)(mu(3)-Omicron)(mu(3)-SO(4))(3)…
The reaction of the tris(tetradentate) triplesalen ligand H(6)talen(t-Bu(2)), which provides three salen-like coordination environments bridged in a meta-phenylene arrangement by a phloroglucinol backbone, with Mn(II) salts under aerobic conditions, affords, in situ, the trinuclear Mn(III) triplesalen complex [(talen(…
Doping graphene with electron donating or accepting molecules is an interesting approach to introduce carriers into it, analogous to electrochemical doping accomplished in graphene when used in a field-effect transistor. Here, we use first-principles density-functional theory to determine changes in the electronic-str…
We have investigated the electronic structures of hydro-boron−carbon compounds by first principles calculations. We predict that hydro-boron−carbon compounds have stable semiconducting and metallic conformations. During step by step hydrogenation, semiconductor−semiconductor−metal transitions appear in the hydro-BC 3…
The power loss and electromagnetic energy density of a metamaterial consisting of arrays of wires and split-ring resonators are investigated. We show that a field energy density formula can be derived consistently from both the electrodynamic (ED) approach and the equivalent circuit (EC) approach. The derivations are…
Abstract Divacant Keggin‐type polyoxotungstates [γ‐XW 10 O 36 ] 8– with X = Si or Ge, were functionalized with chiral phosphoryl groups. The hybrid compounds [(R*PO) 2 (γ‐XW 10 O 36 )] 4– with R = N ‐protected aminoalkyl groups or O ‐protected amino acid derivatives, were isolated. The solution characterization of the…
The structure and energetics and the chemistry of graphene on SiO2 surface are studied from first-principles. It is found that the energetic preference for the graphene layer to bind on specific sites on the O-terminated surface differs substantially from that on the Si-terminated surface. Regardless of the location o…
Although quantum dots (QDs) are widely used as fluorophores they have not so far been used as Raman labels. Here we demonstrate (resonant) surface-enhanced Raman scattering (SERS) of CdSe QDs attached to nanostructured plasmonic surfaces. The 208 cm−1 CdSe longitudinal optical phonon mode is observed for laser excitat…
Morphology control of electrospun nanofibers is one of the major tasks in order to facilitate their wide potential applications. In the present work, various dielectric materials were employed as parallel collectors for obtaining electrospun nanofiber meshes with improved nanofiber alignment. Experimental results pres…
A bilayer graphene nanoribbon nanoelectromechanical device is investigated via first-principle simulations. The output characteristics as a function of interlayer distance are calculated, with the proposed device acting as a displacement and a force sensor. The operating mechanism of a bistable switch based on this de…
The use of first-principles DFT calculations to interpret solid-state 89 Y MAS NMR spectra of Y 2 Ti 2- x Sn x O 7 pyrochlores, materials with applications for the encapsulation of actinide-bearing radioactive waste, is investigated. Although NMR is a sensitive probe of local structure, which does not rely on the pres…
In this letter, the analysis of the magnetocaloric effect (MCE) in a thin film of Ni–Mn–Ga alloy sputter deposited on alumina substrate is reported. This film has 0.4 μm thickness and exhibits merged martensitic and ferromagnetic transitions. The temperature dependence of the dc magnetization under different constant…
We report on in situ neutron diffraction measurements during heating and cooling through the phase transformation in shape memory NiTi. The lattice plane specific strain evolution remains linear with temperature and is not influenced by intergranular stresses, enabling the determination of the thermal expansion tensor…