Materials Literature
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The Hg2CuTi-type structure is found to be preferable energy wise than the Cu2MnAl-type structure for full-Heusler Cr2MnAl and exhibits half-metallic ferromagnetism based on first principles. The calculations for the mixed compounds with disorder between B and D sublattices reveal that the case of exchanging one atom m…
Flower-like NiAl-layered double hydroxides (LDH) were successfully synthesized by a straightforward one-pot hydrothermal method using Ni(II) glycinate complex as a chemical precursor under extremely high basic conditions and soft hydrothermal conditions. Systematic screening of synthesis parameters such as reaction ti…
This paper proposes a novel sputter-based method for the direct growth of transparent conducting Ti1−xNbxO2 (TNO) polycrystalline films on glass, without the need for any postdeposition treatments, by the use of an initial seed-layer. Anatase TNO epitaxial films grown on LaAlO3 (100) substrates under a reducing atmosp…
Room-temperature fabrication of Schottky diodes was demonstrated for p-type boron-doped diamond. This fabrication method’s key technique is selective modification of surface termination from monohydride into oxygen groups using vacuum ultraviolet light irradiation in oxygen. The Au contacts, formed on the hydrogen-ter…
Individual color centers in diamond are promising for near-term quantum technologies including quantum key distribution and metrology. Here we show fabrication of an as-yet uncharacterized nickel-related complex in diamond which has photophysical properties surpassing the two main-stay centers for single-photon applic…
Nacre is an exquisitely structured biocomposite of the calcium carbonate mineral aragonite with small amounts of proteins and the polysaccharide chitin. For many years, it has been the subject of research, not just because of its beauty, but also to discover how nature can produce such a superior product with excellen…
Although many materials display the transition from insulating to metallic behavior on doping, only a few, such as ${\text{VO}}_{2}$, have the right combination of crystal structure and physical properties to serve as model systems. Here we report the electronic and structural characteristics of the insulator to metal…
A novel dual-modality molecular probe composed of biocompatible Fe(3)O(4) nanocrystal, monoclonal antibody and radionuclide was designed and prepared. All functional components in the dual-modality molecular probe, i.e., Fe(3)O(4), PEG, mAb 3H11 and (125)I, were chemically bonded together for forming a stable molecula…
This paper concerns an electroactive thermoset styrene-based shape memory polymer (SMP) nanocomposite filled with nanosized (30 nm) carbon powders. With an increase of the incorporated nanocarbon powders of the SMP composite, its glass transition temperature ( T g ) decreases and storage modulus increases. Due to the…
Highly uniform submonolayer to multilayer thin films of titanium dioxide supported on high surface area silica gel have been synthesized by atomic layer deposition (ALD) using titanium tetrachloride (TiCl 4 ) and titanium isopropoxide (TTIP) as metal precursors. The deposition rate of titania films from TiCl 4 was fou…
The quantum tunneling effects between two silver plates are studied using the time dependent density functional theory. Our results show that the tunneling depends mainly on the separation and the initial local field of the interstice between plates. The smaller separation and larger local field, the easier the electr…
We investigate the evolution of microstructure and mechanical properties of sputter-deposited Al∕Nb multilayers with miscible fcc/bcc type interface and individual layer thickness, h, of 1–200nm, subjected to helium ion irradiations: 100keV He+ ions and a fluence of 6×1016∕cm2. Helium bubbles, 1–2nm in diameter, are o…
Novel one-dimensional europium benzene-1,3,5-tricarboxylate compressed nanorods have been synthesized on a large scale through direct precipitation in solution phase under moderate conditions without the assistance of any surfactant, catalyst, or template. The obtained nanorods have widths of about 50−100 nm, thicknes…
Applying the density matrix renormalization group (DRMG) method to a nonempirical valence bond (VB) model Hamiltonian, we studied polyacene oligomers of different lengths in the strong electron correlation limit. Geometrical optimizations were performed for the lowest singlet and triplet states of oligomers up to [40]…
A study of the thermoelectric transport properties of Bi–Te thin films with different structures and morphologies is here presented. Films were grown by pulsed laser deposition (PLD), which permits to control the composition, phase and crystallinity of the deposited material, and the morphology at the micrometer/nanom…
We propose an explanation for the long-standing puzzles of the microscopic mechanism of chain friction and the failure of time-temperature superposition in polymer melts based on decoupling of macromolecular scale diffusion from local structural relaxation due to spatially heterogeneous dynamics. The proposed physical…
The radiation response of nanostructured materials is of great interest because of the potential of nanoscale materials design for mitigating radiation damage. We report a greatly enhanced resistance to radiation-induced amorphization in nanocrystalline Gd2(Ti0.65Zr0.35)2O7 at a particle size less than 20 nm while lar…
The structural phase transitions for the hcp, bcc, dhcp, and fcc of magnesium at hydrostatic pressures larger than about 200 GPa at zero temperature are studied by first-principles total energy calculations. The plane-wave basis pseudopotential method has been adopted, in which the generalized gradient approximation i…
Fluorescence blinking of quantum dots (QDs) is a common but annoying behavior for practical applications as fluorescent markers or single photon sources. We demonstrate here, by coupling colloidal CdSe/ZnS QDs to silver nanoprisms, fluorescence blinking behavior can be suppressed. For most of coupled QDs, two emissive…
Uncontained aircraft engine failure can cause catastrophic damaging effects to aircraft systems if not addressed in the aircraft design. Mitigating the damaging effects of uncontained engine failure and improving the numerical modeling capability of these uncontained engine events are crucial. In this paper, high stra…