Materials Literature
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We present a comprehensive study of the structural properties and the thermal expansion behavior of 17 different Prussian Blue Analogs (PBAs) with compositions MII3[(M')III(CN)6]2.nH2O and MII2[FeII(CN)6].nH2O, where MII = Mn, Fe, Co, Ni, Cu and Zn, (M')III = Co, Fe and n is the number of water molecules, which range…
We provide universal formulae for the limiting stretching and bending energies of triangulated membrane networks endowed with nearest neighbor bond potentials and cosine-type dihedral angle potentials. The given formulae account for finite elasticity and solve some deficiencies of earlier results for Helfrich-type ben…
Iron nitrosyl complexes are a particularly challenging case for density functional theory. In particular, for the low-spin state, different exchange-correlation functionals yield very different spin densities [ Conradie , J. ; Ghosh , A. J. Phys. Chem. B 2007 , 111 , 12621 - 12624 ]. Here, we investigate the origin of…
Highly supersaturated solid solutions of selenium or sulfur in silicon were formed by ion implantation followed by nanosecond pulsed laser melting. n+p photodiodes fabricated from these materials exhibit gain (external quantum efficiency >3000%) at 12 V of reverse bias and substantial optoelectronic response to light…
The supercell technique is widely spread for the simulation of charged point defects. Charged defects in a supercell are unfortunately subjected to spurious image interactions, which are usually handled by introducing two correcting terms: a Madelung-type correction that accounts for the electrostatic interactions of…
Supported Pt nanoparticles (<2 nm) were stabilized by a highly porous, alumina nanofilm that was deposited on the Pt and its high surface area silica support. The alumina film with subnanometer thickness control resulted from thermal decomposition of an aluminum alkoxide layer that was deposited by molecular layer dep…
In order to properly assess the environmental risk of engineered nanoparticles (ENP), it is necessary to determine their fate (including dissolution, aggregation, and bioaccumulation) under representative environmental conditions. CdTe/CdS quantum dots (QD), such as those used in medical imaging, are known to release…
Noble metals adopt close-packed structures at ambient pressure and rarely undergo structural transformation at high pressures. Platinum (Pt), in particular, is normally considered to be unreactive and is therefore not expected to form hydrides under pressure. We predict that platinum hydride (PtH) has a lower enthalpy…
Breast cancer presents greatest challenge in health care in today's world. The key to ultimately successful treatment of breast cancer disease is an early and accurate diagnosis. Current breast cancer treatments are often associated with severe side effects. Driven by the need, we report the design of novel hybrid nan…
A reverse microemulsion synthesis was used to prepare amine-functionalized silica nanoparticles of three distinct sizes (i.e., 50, 100, and 200 nm) with similar amine content. The resulting hybrid nanoparticles, consisting of N-(6-aminohexyl)aminopropyltrimethoxysilane and tetraethoxysilane, were highly monodisperse i…
This work reports the measurement of magnetic dichroism in angular-resolved photoemission from in-plane magnetized buried thin films. The high bulk sensitivity of hard x-ray photoelectron spectroscopy (HAXPES) in combination with circularly polarized radiation enables the investigation of the magnetic properties of bu…
We present an analytical model describing complex dynamics of a hybrid nonlinear system consisting of interacting carbon nanotubes (CNT) and a plasmonic metamaterial. Our model is based on the set of coupled equations, which incorporates well-established density matrix formalism appropriate for quantum systems (CNT ar…
Synchrotron-based x-ray reflectivity is increasingly employed as an in situ probe of surface morphology during thin film growth, but complete interpretation of the results requires modeling the growth process. Many models have been developed and employed for this purpose, yet no detailed, comparative studies of their…
In a recent letter, it has been predicted within first principle studies that Mn-doped ZrO2 compounds could be good candidates for spintronics application because expected to exhibit ferromagnetism far beyond room temperature. Our purpose is to address this issue experimentally for Mn-doped tetragonal zirconia. We hav…
Silver nanocrystals made by a chemical reduction of silver salts (AgNO3) by sodium borohydride (NaBH4) were studied using transmission electron microscopy and light scattering simulations. For various AgNO3/NaBH4 molar ratios, the size distributions of the nanocrystals were found to be approximately log-normal. In add…
We review our recent work on spin injection, transport and relaxation in graphene. The spin injection and transport in single layer graphene (SLG) were investigated using nonlocal magnetoresistance (MR) measurements. Spin injection was performed using either transparent contacts (Co/SLG) or tunneling contacts (Co/MgO/…
Zinc oxide (ZnO) films have been grown on gold (111) by electrodeposition using two different OH− sources, nitrate and peroxide, in order to obtain a comparative study between them. The morphology, structural and optical characterization of the films were investigated depending on the solution used (nitrate and peroxi…
We have performed electron energy-loss spectroscopy (EELS) studies of Ni(111), graphene/Ni(111), and the graphene/Au/Ni(111) intercalation-like system at different primary electron energies. A reduced parabolic dispersion of the πplasmon excitation for the graphene/Ni(111) system is observed compared to that for bulk…
We have performed TEM, Raman microspectroscopy, and NanoSIMS characterization of borosilicate glass samples altered for nearly 26 years at 90 °C in a confined granitic medium in order to better understand the rate-limiting mechanisms under conditions representative of a deep geological repository for vitrified radioac…
A new class of mesoporous niobia catalysts has been synthesized by atomic layer deposition (ALD) of niobia within the pores of a mesoporous silica (SBA-15). Mesoporous materials after ALD cycles of niobia maintained the structural organization of SBA-15. Increasing loadings of niobia cause a decrease in the surface ar…