Materials Literature
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Density functional theory is used for periodic models of monomeric vanadia species deposited on the CeO2(111) surface to study dissociative adsorption of methanol and its subsequent dehydrogenation to formaldehyde. Dispersion-corrected PBE+U calculations are performed and compared with HSE and B3LYP results. Dissociat…
Protogenic phytic acid is immobilized by its gelation with iron nitrate in DMF. The resulting pelletized xerogel is observed to show a high proton conductivity of 2.4 × 10 <sup>−2</sup> S cm <sup>−1</sup> at 120 °C and is tried as solid electrolyte for dry H <sub>2</sub> /O <sub>2</sub> fuel cell operation.
Solution-based linear self-assembly of metal nanoparticles offers a powerful strategy for creating plasmonic polymers, which, so far, have been formed from spherical nanoparticles and cylindrical nanorods. Here we report linear solution-based self-assembly of metal nanocubes (NCs), examine the structural characteristi…
We demonstrate that charge separation at donor-acceptor interfaces is a complex process that is controlled by the combined action of Coulomb binding for electron-hole pairs and partial relaxation due to quantized phonons. A joint electron-vibration quantum dynamical study reveals that high energy vibrations sensitivel…
Universality of the extraordinary Hall effect scaling was tested in granular three-dimensional Ni-SiO2 films across the metal-insulator transition. Three types of magnetotransport behavior have been identified: metallic, weakly insulating and strongly insulating. Scaling between both the ordinary and extraordinary Hal…
We have studied the propagation characteristics of spin wave modes in a permalloy stripe by time-resolved magneto-optical Kerr effect techniques. We observe a beating interference pattern in the time domain under the influence of an electrical square pulse excitation at the center of the stripe. We also probe the non-…
Pd is one of the metals suitable for inducing low-temperature crystallization in Ge. However, it is not clear how residual Pd atoms are integrated into the Ge lattice. Therefore, time-differential perturbed angular correlations (TDPAC) technique using the 100Pd(100Rh) nuclear probe produced by recoil implantation has…
The compression behavior of delafossite compound CuCrO2 has been investigated by in situ x-ray diffraction (XRD) and Raman spectroscopic measurements up to 23.2 and 34 GPa, respectively. X-ray diffraction data show the stability of ambient rhombohedral structure up to ∼23 GPa. Material shows large anisotropy in axial…
We have studied the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) phases of Fe alloyed with 25 at. % of Ni at Earth's core conditions using an ab initio local density approximation + dynamical mean-field theory (LDA+DMFT) approach. The alloys have been modeled by ordered crystal…
The thermal properties of amorphous and crystalline phases in chalcogenide phase change materials (PCM) play a key role in device performance for non-volatile random-access memory. Here, we report the nanothermal morphology of amorphous and crystalline phases in laser pulsed GeTe and Ge2Sb2Te5 thin films by scanning t…
Bismuth Selenide (Bi2Se3) is a topological insulator exhibiting helical spin polarization and strong spin-orbit coupling. The spin-orbit coupling links the charge current to spin current via the spin Hall effect (SHE). We demonstrate a Bi2Se3 spin detector by injecting the pure spin current from a magnetic permalloy l…
The slip ammonia from selective catalytic reduction (SCR) of NOx in coal-fired flue gas can result in deterioration of the utilities or even the environmental issues. To achieve selective catalytic oxidation (SCO) of slip ammonia, Ru-modified Ce-Zr solid solution catalysts were prepared and evaluated under various con…
The sign and strength of magnetic interactions not only between nearest neighbors, but also for longer-range neighbors in the Cr1/3NbS2 intercalation compound have been calculated on the basis of structural data. It has been found that left-handed spin helices in Cr1/3NbS2 are formed from strength-dominant at low temp…
While the effects of lattice mismatch-induced strain, mechanical strain, as well as the intrinsic strain of thin films are sometimes detrimental, resulting in mechanical deformation and failure, strain can also be usefully harnessed for applications such as data storage, transistors, solar cells, and strain gauges, am…
A multitude of observed boron-based materials have outstanding superconducting, mechanical, and refractory properties. Yet, the structure, the composition, and the very existence of some reported metal boride (M-B) compounds have been a subject of extensive debate. This density functional theory work seeks to set a ba…
The sintering behavior of close packed spheres is investigated using a numerical model. The investigated systems are the body centered cubic (BCC), face centered cubic (FCC) and hexagonal closed packed spheres (HCP). The sintering behavior is found to be ideal with no grain growth until full density is reached for all…
Exchange-coupled nonmagnetic (NM) and ferromagnetic (FM) conducting multilayers are crucial for microwave spintronic devices of the future. We demonstrate, experimentally and theoretically, that in broadband measurements of ferromagnetic resonance (FMR) 10-70 nm-thick permalloy (Py) layers are shielded from the dynami…
The precise design and synthesis of plasmonic nanostructures allow us to manipulate, enhance, and utilize the optical characteristics of metallic materials. Although many multimeric structures (e.g., dimers) with interparticle nanogap have been heavily studied, the plasmonic nanostructures with a conductive junction h…
Polymeric nanoparticles (PNPs)-based materials have gained much deliberation due to advancement in polymer science and technology. PNPs are playing an eccentric role in broad spectrum of applications. The importance of these materials lies in idiosyncratic features associated with PNPs. Due to the impact of the materi…
Traditionally, magnetic field has long been regarded as an important means for studying the magnetic properties of materials. With the development of synthesis and assembly methods, magnetic field, similar to conventional reaction conditions such as temperature, pressure, and surfactant, has been developed as a new pa…