2,361 research outputs found
Optical absorption in small BN and C nanotubes
We present a theoretical study of the optical absorption spectrum of small
boron-nitride and carbon nanotubes using time-dependent density-functional
theory and the random phase approximation. Both for C and BN tubes, the
absorption of light polarized perpendicular to the tube-axis is strongly
suppressed due to local field effects. Since BN-tubes are wide band-gap
insulators, they only absorb in the ultra-violet energy regime, independently
of chirality and diameter. In comparison with the spectra of the single C and
BN-sheets, the tubes display additional fine-structure which stems from the
(quasi-) one-dimensionality of the tubes and sensitively depends on the
chirality and tube diameter. This fine structure can provide additional
information for the assignment of tube indices in high resolution optical
absorption spectroscopy.Comment: 5 pages, 3 figure
Inter- and intra-layer excitons in MoS/WS and MoSe/WSe heterobilayers
Accurately described excitonic properties of transition metal dichalcogenide
heterobilayers (HBLs) are crucial to comprehend the optical response and the
charge carrier dynamics of them. Excitons in multilayer systems posses inter or
intralayer character whose spectral positions depend on their binding energy
and the band alignment of the constituent single-layers. In this study, we
report the electronic structure and the absorption spectra of MoS/WS
and MoSe/WSe HBLs from first-principles calculations. We explore the
spectral positions, binding energies and the origins of inter and intralayer
excitons and compare our results with experimental observations. The absorption
spectra of the systems are obtained by solving the Bethe-Salpeter equation on
top of a GW calculation which corrects the independent particle
eigenvalues obtained from density functional theory calculations. Our
calculations reveal that the lowest energy exciton in both HBLs possesses
interlayer character which is decisive regarding their possible device
applications. Due to the spatially separated nature of the charge carriers, the
binding energy of inter-layer excitons might be expected to be considerably
smaller than that of intra-layer ones. However, according to our calculations
the binding energy of lowest energy interlayer excitons is only 20\%
lower due to the weaker screening of the Coulomb interaction between layers of
the HBLs. Therefore, it can be deduced that the spectral positions of the
interlayer excitons with respect to intralayer ones are mostly determined by
the band offset of the constituent single-layers. By comparing oscillator
strengths and thermal occupation factors, we show that in luminescence at low
temperature, the interlayer exciton peak becomes dominant, while in absorption
it is almost invisible.Comment: 17 pages, 4 figure
Collective Total Synthesis of Casbane Diterpenes: One Strategy, Multiple Targets
Of the more than 100 casbane diterpenes known to date, only the eponymous parent hydrocarbon casbene itself has ever been targeted by chemical synthesis. Outlined herein is a conceptually new approach that brings not a single but a variety of casbane derivatives into reach, especially the more highly oxygenated and arguably more relevant members of this family. The key design elements are a catalyst‐controlled intramolecular cyclopropanation with or without subsequent equilibration, chain extension of the resulting stereoisomeric cyclopropane building blocks by chemoselective hydroboration/cross‐coupling, and the efficient closure of the strained macrobicyclic framework by ring‐closing alkyne metathesis. A hydroxy‐directed catalytic trans‐hydrostannation allows for late‐stage diversity. These virtues are manifested in the concise total syntheses of depressin, yuexiandajisu A, and ent‐pekinenin C. The last compound turned out to be identical to euphorhylonal A, the structure of which had clearly been misassigned
Spatially Resolved Raman Spectroscopy of Single- and Few-Layer Graphene
We present Raman spectroscopy measurements on single- and few-layer graphene
flakes. Using a scanning confocal approach we collect spectral data with
spatial resolution, which allows us to directly compare Raman images with
scanning force micrographs. Single-layer graphene can be distinguished from
double- and few-layer by the width of the D' line: the single peak for
single-layer graphene splits into different peaks for the double-layer. These
findings are explained using the double-resonant Raman model based on ab-initio
calculations of the electronic structure and of the phonon dispersion. We
investigate the D line intensity and find no defects within the flake. A finite
D line response originating from the edges can be attributed either to defects
or to the breakdown of translational symmetry
Raman imaging of doping domains in graphene on SiO2
We present spatially resolved Raman images of the G and 2D lines of
single-layer graphene flakes. The spatial fluctuations of G and 2D lines are
correlated and are thus shown to be affiliated with local doping domains. We
investigate the position of the 2D line -- the most significant Raman peak to
identify single-layer graphene -- as a function of charging up to |n|~4 10^12
cm^-2. Contrary to the G line which exhibits a strong and symmetric stiffening
with respect to electron and hole-doping, the 2D line shows a weak and slightly
asymmetric stiffening for low doping. Additionally, the line width of the 2D
line is, in contrast to the G line, doping-independent making this quantity a
reliable measure for identifying single-layer graphene
Phonon surface mapping of graphite: disentangling quasi--degenerate phonon dispersions
The two-dimensional mapping of the phonon dispersions around the point of
graphite by inelastic x-ray scattering is provided. The present work resolves
the longstanding issue related to the correct assignment of transverse and
longitudinal phonon branches at . We observe an almost degeneracy of the
three TO, LA and LO derived phonon branches and a strong phonon trigonal
warping. Correlation effects renormalize the Kohn anomaly of the TO mode, which
exhibits a trigonal warping effect opposite to that of the electronic band
structure. We determined the electron--phonon coupling constant to be
166 in excellent agreement to calculations. These results
are fundamental for understanding angle-resolved photoemission,
double--resonance Raman and transport measurements of graphene based systems
Anisotropic excitonic effects in the energy loss function of hexagonal boron nitride
We demonstrate that the valence energy-loss function of hexagonal boron
nitride (hBN) displays a strong anisotropy in shape, excitation energy and
dispersion for momentum transfer q parallel or perpendicular to the hBN layers.
This is manifested by e.g. an energy shift of 0.7 eV that cannot be captured by
single-particle approaches and is a demonstration of a strong anisotropy in the
two-body electron-hole interaction. Furthermore, for in-plane directions of q
we observe a splitting of the -plasmon in the M direction that is absent in the
K direction and this can be traced back to band-structure effects.Comment: 10 pages, 4 figure
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Intimate partner violence, HIV and sexually transmitted infections in fishing, trading and agrarian communities in Rakai, Uganda.
BackgroundIntimate partner violence (IPV), HIV and sexually transmitted infections (STI) can contribute to disparities in population health, depending on the individual, social and environmental factors characterizing a setting. To better understand the place-based determinants and patterns of these key interrelated public health problems in Uganda, we compared risk factors for IPV, HIV and STI in fishing, trading and agrarian communities in Rakai, Uganda by gender.MethodThis study used cross-sectional data collected from 14,464 sexually active men (n = 6531) and women (n = 7933) as part of the Rakai Community Cohort Study, a population-based open cohort study of men and women aged 15-49 years. We used multilevel modified poisson regression models, which incorporated random intercepts for community and households. Factors associated with IPV, HIV and STI were assessed separately for men and women in fishing, trading and agrarian communities.ResultsA larger proportion of participants in the fishing communities than those in trading and agrarian communities were HIV positive, engaged in HIV risk behaviors, had STI symptoms and reported perpetration of or victimization by IPV. Female gender was a shared correlate of IPV, HIV and STI in the fishing communities. Engagement in multiple sexual relationships or partner's engagement in multiple relationships were shared correlates of IPV, and HIV in agrarian communities and IPV and STI in trading communities.ConclusionPrograms should target factors at multiple levels to reduce risk for syndemic conditions of HIV, STI and IPV in Rakai, Uganda particularly among men and women in fishing communities
Tight--binding description of the quasiparticle dispersion of graphite and few--layer graphene
A universal set of third--nearest neighbour tight--binding (TB) parameters is
presented for calculation of the quasiparticle (QP) dispersion of stacked
graphene layers () with stacking sequence. The QP
bands are strongly renormalized by electron--electron interactions which
results in a 20% increase of the nearest neighbour in--plane and out--of--plane
TB parameters when compared to band structure from density functional theory.
With the new set of TB parameters we determine the Fermi surface and evaluate
exciton energies, charge carrier plasmon frequencies and the conductivities
which are relevant for recent angle--resolved photoemission, optical, electron
energy loss and transport measurements. A comparision of these quantitities to
experiments yields an excellent agreement. Furthermore we discuss the
transition from few layer graphene to graphite and a semimetal to metal
transition in a TB framework.Comment: Corresponding author: A. Gr\"uneis Tel.: +49 351 4659 519 e--mail:
[email protected]
What drives the active involvement in business angel groups? The role of angels' decision-making style, investment-specific human capital and motivations
This paper sheds light over the operations and internal structure of business angel groups (BAGs), a leading actor inside the informal venture capital industry, due to its capability to build cognitive resources and shared competencies that are eventually provided to funded ventures alongside equity capital. We develop a framework based on the role of business angels' decision-making style, human capital and motivation as major determinants of their active involvement in the many different activities performed by angel groups, either investment related activities or group management activities. Our empirical analysis relies on a novel survey-based dataset containing qualitative and quantitative information provided by the members of two large and rather homogeneous business angel groups located in France and in Italy. Results show that business angels with a control-oriented decision-making style tend to be more actively involved in key angel group activities. Human capital built through investment experience, retirement status, as well as initial motivation to join an angel group are also significant drivers of angel involvement in several key BAG activities
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