375 research outputs found
Scanning tunneling microscopy simulations of poly(3-dodecylthiophene) chains adsorbed on highly oriented pyrolytic graphite
We report on a novel scheme to perform efficient simulations of Scanning
Tunneling Microscopy (STM) of molecules weakly bonded to surfaces. Calculations
are based on a tight binding (TB) technique including self-consistency for the
molecule to predict STM imaging and spectroscopy. To palliate the lack of
self-consistency in the tunneling current calculation, we performed first
principles density-functional calculations to extract the geometrical and
electronic properties of the system. In this way, we can include, in the TB
scheme, the effects of structural relaxation upon adsorption on the electronic
structure of the molecule. This approach is applied to the study of
regioregular poly(3-dodecylthiophene) (P3DDT) polymer chains adsorbed on highly
oriented pyrolytic graphite (HOPG). Results of spectroscopic calculations are
discussed and compared with recently obtained experimental datComment: 15 pages plus 5 figures in a tar fil
Lower Cretaceous (Hauterivian-Albian) ammonite biostratigraphy in the Maestrat Basin (E Spain)
Peer reviewedPublisher PD
Estradiol and Bisphenol A Stimulate Androgen Receptor and Estrogen Receptor Gene Expression in Fetal Mouse Prostate Mesenchyme Cells
doi:10.1289/ehp.9804Hormonal alterations during development have lifelong effects on the prostate gland. Endogenous estrogens, including 17β-estradiol (E2), and synthetic estrogenic endocrine disruptors, such as bisphenol A (BPA), have similar effects on prostate development. Increasing exposure to estrogens within the low-dose, physiologic range results in permanent increases in the size and androgen responsiveness of the prostate, whereas exposure within the high-dose, pharmacologic range has the opposite effects
In-situ Analysis of Laminated Composite Materials by X-ray Micro-Computed Tomography and Digital Volume Correlation
The complex mechanical behaviour of composite materials, due to internal heterogeneity and multi-layered composition impose deeper studies. This paper presents an experimental investigation technique to perform volume kinematic measurements in composite materials. The association of X-ray micro-computed tomography acquisitions and Digital Volume Correlation (DVC) technique allows the measurement of displacements and deformations in the whole volume of composite specimen. To elaborate the latter, composite fibres and epoxy resin are associated with metallic particles to create contrast during X-ray acquisition.
A specific in situ loading device is presented for three-point bending tests, which enables the visualization of transverse shear effects in composite structures
Warren McCulloch and the British cyberneticians
Warren McCulloch was a significant influence on a number of British cyberneticians, as some British pioneers in this area were on him. He interacted regularly with most of the main figures on the British cybernetics scene, forming close friendships and collaborations with several, as well as mentoring others. Many of these interactions stemmed from a 1949 visit to London during which he gave the opening talk at the inaugural meeting of the Ratio Club, a gathering of brilliant, mainly young, British scientists working in areas related to cybernetics. This paper traces some of these relationships and interaction
Structural correlations in heterogeneous electron transfer at monolayer and multilayer graphene electrodes
As a new form of carbon, graphene is attracting intense interest as an electrode material with widespread applications. In the present study, the heterogeneous electron transfer (ET) activity of graphene is investigated using scanning electrochemical cell microscopy (SECCM), which allows electrochemical currents to be mapped at high spatial resolution across a surface for correlation with the corresponding structure and properties of the graphene surface. We establish that the rate of heterogeneous ET at graphene increases systematically with the number of graphene layers, and show that the stacking in multilayers also has a subtle influence on ET kinetics. © 2012 American Chemical Society
Localization of Dirac electrons by Moire patterns in graphene bilayers
We study the electronic structure of two Dirac electron gazes coupled by a
periodic Hamiltonian such as it appears in rotated graphene bilayers. Ab initio
and tight-binding approaches are combined and show that the spatially periodic
coupling between the two Dirac electron gazes can renormalize strongly their
velocity. We investigate in particular small angles of rotation and show that
the velocity tends to zero in this limit. The localization is confirmed by an
analysis of the eigenstates which are localized essentially in the AA zones of
the Moire patterns.Comment: 4 pages, 5 figure
Effect of Layer-Stacking on the Electronic Structure of Graphene Nanoribbons
The evolution of electronic structure of graphene nanoribbons (GNRs) as a
function of the number of layers stacked together is investigated using
\textit{ab initio} density functional theory (DFT) including interlayer van der
Waals interactions. Multilayer armchair GNRs (AGNRs), similar to single-layer
AGNRs, exhibit three classes of band gaps depending on their width. In zigzag
GNRs (ZGNRs), the geometry relaxation resulting from interlayer interactions
plays a crucial role in determining the magnetic polarization and the band
structure. The antiferromagnetic (AF) interlayer coupling is more stable
compared to the ferromagnetic (FM) interlayer coupling. ZGNRs with the AF
in-layer and AF interlayer coupling have a finite band gap while ZGNRs with the
FM in-layer and AF interlayer coupling do not have a band gap. The ground state
of the bi-layer ZGNR is non-magnetic with a small but finite band gap. The
magnetic ordering is less stable in multilayer ZGNRs compared to single-layer
ZGNRs. The quasipartcle GW corrections are smaller for bilayer GNRs compared to
single-layer GNRs because of the reduced Coulomb effects in bilayer GNRs
compared to single-layer GNRs.Comment: 10 pages, 5 figure
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