Materials Literature
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We present a new way to tune the electron-phonon coupling (EPC) in graphene by changing the deformation potential with electron/hole doping. We show the EPC for highest optical branch at the high symmetry point K acquires a strong dependency on the doping level due to electron-electron correlation not accounted in mea…
We use in-situ high pressure angle dispersive x-ray diffraction measurements to determine the equation of state of cubic tin nitride Sn3N4 under pressure up to about 26 GPa. While we find no evidence for any structural phase transition, our estimate of the bulk modulus (B) is 145 GPa, much lower than the earlier theor…
We investigate the importance of including quantized initial conditions in Langevin dynamics for adsorbates interacting with a thermal reservoir of electrons. For quadratic potentials the time evolution is exactly described by a classical Langevin equation and it is shown how to rigorously obtain quantum mechanical pr…
The electrical conductivity of PVC films prepared with a patented plasticizer of type "A" was measured with high precision automated setup, based on standard ring sell with a voltage range much less than breakdown voltage. Continual voltage-current measurements permit to take into account Debay relaxation process and…
Landau theory and symmetry considerations lead us to propose an explanation for several seemingly paradoxical behaviors of charge ordering (CO) and spin ordering (SO) in the mixed valence compound LuFe2O4. Both SO and CO are highly frustrated. We analyze a lattice gas model of CO within mean field theory and determine…
Thin hexagonal barium hexaferrite particles synthesized using the microemulsion technique were studied. A water-in-oil reverse microemulsion system with cetyltrimethylammonium bromide (CTAB) as a cationic surfactant, n-butanol as a co-surfactant, n-hexanol as a continuous oil phase, and an aqueous phase were used. The…
Titanium dioxide is one of the most widely investigated oxides. This is due to its broad range of applications, from catalysis to photocatalysis to photovoltaics. Despite this large interest, many of its bulk properties have been sparsely investigated using either experimental techniques or ab initio theory. Further,…
We demonstrate in this report that nanorods can spontaneously grow on the top of a transient mound when the screening effect is considered in island growth. The number of the topmost growing layers is defined as the active length, which decreases as the screening effect is enhanced. It follows that the thickness of th…
Abstract Nanostructured moth‐eye antireflection schemes for silicon solar cells are simulated using rigorous coupled wave analysis and compared to traditional thin film coatings. The design of the moth‐eye arrays is optimized for application to a laboratory cell (air–silicon interface) and an encapsulated cell (EVA‐si…
The interaction between silver nanoparticle and calf thymus DNA was studied by UV−visible, fluorescence, and far UV circular dichroism (CD) spectroscopies at a physiologic temperature of 37 °C. By the analysis of UV−visible titration and thermal denaturation studies of DNA, it was found that silver nanoparticle can fo…
A number of commercialized nanomaterials incorporate TiO(2) nanoparticles. Studying their structural stability in media mimicking the environment or the conditions of use is crucial in understanding their potential eco-toxicological effects. We focused here on a hydrophobic TiO(2) nanoparticle-based formulation used i…
Folic acid can be covalently conjugated to chitosan molecules via its gamma-carboxyl moiety and thus retain a high affinity for colorectal cancer cells bearing folate receptor overexpression. Colorectal cancer is one of the leading causes of malignant death and often goes undetected with current colonoscopy practices.…
Nanoparticle metal oxides offer a wide variety of potential applications in medicine due to the unprecedented advances in nanobiotechnology research. In this work, the effect of zinc oxide (ZnO) nanoparticles prepared by mechano-chemical method on the antibacterial activity of different antibiotics was evaluated using…
A Au particle-on-wire system that can be used as a specific, sensitive, and multiplex DNA sensor is developed. A pattern formed by multiple Au nanowire sensors provides positional address and identification for each sensor. By using this system, multiplex sensing of target DNAs was possible in a quantitative manner wi…
Isolated graphene, a nanometer-thick two-dimensional analog of fullerenes and carbon nanotubes, has recently sparked great excitement in the scientific community given its excellent mechanical and electronic properties. Particularly attractive is the availability of bulk quantities of graphene as both colloidal disper…
We report a systematic density functional theory (DFT) computational investigation of Ru(II) sensitizer/TiO 2 systems relevant to dye-sensitized solar cells (DSSCs). Focusing on the prototypical N719 and the recently introduced YE05 sensitizers, and considering large slab and cluster models for TiO 2, we have systemat…
We report the electrical transport characteristics of conjugated oligonaphthalenefluoreneimine (ONI) wires having systematically varied lengths up to 10 nm. Using aryl imine addition chemistry, ONI wires were built from gold substrates by extending the conjugation length through imine linkages between highly conjugate…
Three-fold symmetrically distributed GaN nanowire (NW) arrays have been epitaxially grown on GaN/sapphire substrates. The GaN NW possesses a triangular cross section enclosed by (0001), (2112), and (2112) planes, and the angle between the GaN NW and the substrate surface is approximately 62 degrees . The GaN NW arrays…
The open-circuit voltage $({V}_{oc})$ of polymer:fullerene bulk heterojunction solar cells is determined by the interfacial charge-transfer (CT) states between polymer and fullerene. Fourier-transform photocurrent spectroscopy and electroluminescence spectra of several polymer:fullerene blends are used to extract the…
Recent advances in hardware and software have enabled increasingly long molecular dynamics (MD) simulations of biomolecules, exposing certain limitations in the accuracy of the force fields used for such simulations and spurring efforts to refine these force fields. Recent modifications to the Amber and CHARMM protein…