5,981 research outputs found
Tuning the thermal conductance of molecular junctions with interference effects
We present an \emph{ab initio} study of the role of interference effects in
the thermal conductance of single-molecule junctions. To be precise, using a
first-principles transport method based on density functional theory, we
analyze the coherent phonon transport in single-molecule junctions based on
several benzene and oligo-phenylene-ethynylene derivatives. We show that the
thermal conductance of these junctions can be tuned via the inclusion of
substituents, which induces destructive interference effects and results in a
decrease of the thermal conductance with respect to the unmodified molecules.
In particular, we demonstrate that these interference effects manifest as
antiresonances in the phonon transmission, whose energy positions can be
controlled by varying the mass of the substituents. Our work provides clear
strategies for the heat management in molecular junctions and more generally in
nanostructured metal-organic hybrid systems, which are important to determine,
how these systems can function as efficient energy-conversion devices such as
thermoelectric generators and refrigerators
Conductance of Atomic-Sized Lead Contacts in an Electrochemical Environment
Atomic-sized lead (Pb) contacts are deposited and dissolved in an
electrochemical environment, and their transport properties are measured. Due
to the electrochemical fabrication process, we obtain mechanically unstrained
contacts and conductance histograms with sharply resolved, individual peaks.
Charge transport calculations based on density functional theory (DFT) for
various ideal Pb contact geometries are in good agreement with the experimental
results. Depending on the atomic configuration, single-atom-wide contacts of
one and the same metal yield very different conductance values.Comment: 5 pages, 4 figure
Subjective experience of episodic memory and metacognition: a neurodevelopmental approach.
Episodic retrieval is characterized by the subjective experience of remembering. This experience enables the co-ordination of memory retrieval processes and can be acted on metacognitively. In successful retrieval, the feeling of remembering may be accompanied by recall of important contextual information. On the other hand, when people fail (or struggle) to retrieve information, other feelings, thoughts, and information may come to mind. In this review, we examine the subjective and metacognitive basis of episodic memory function from a neurodevelopmental perspective, looking at recollection paradigms (such as source memory, and the report of recollective experience) and metacognitive paradigms such as the feeling of knowing). We start by considering healthy development, and provide a brief review of the development of episodic memory, with a particular focus on the ability of children to report first-person experiences of remembering. We then consider neurodevelopmental disorders (NDDs) such as amnesia acquired in infancy, autism, Williams syndrome, Down syndrome, or 22q11.2 deletion syndrome. This review shows that different episodic processes develop at different rates, and that across a broad set of different NDDs there are various types of episodic memory impairment, each with possibly a different character. This literature is in agreement with the idea that episodic memory is a multifaceted process
Thermal conductance of metallic atomic-size contacts: Phonon transport and Wiedemann-Franz law
Motivated by recent experiments [Science 355, 6330 (2017); Nat. Nanotechnol.
12, 430 (2017)], we present here an extensive theoretical analysis of the
thermal conductance of atomic-size contacts made of three different metals,
namely gold (Au), platinum (Pt) and aluminum (Al)
Theoretical study of the charge transport through C60-based single-molecule junctions
We present a theoretical study of the conductance and thermopower of
single-molecule junctions based on C60 and C60-terminated molecules. We first
analyze the transport properties of gold-C60-gold junctions and show that these
junctions can be highly conductive (with conductances above 0.1G0, where G0 is
the quantum of conductance). Moreover, we find that the thermopower in these
junctions is negative due to the fact that the LUMO dominates the charge
transport, and its magnitude can reach several tens of micro-V/K, depending on
the contact geometry. On the other hand, we study the suitability of C60 as an
anchoring group in single-molecule junctions. For this purpose, we analyze the
transport through several dumbbell derivatives using C60 as anchors, and we
compare the results with those obtained with thiol and amine groups. Our
results show that the conductance of C60-terminated molecules is rather
sensitive to the binding geometry. Moreover, the conductance of the molecules
is typically reduced by the presence of the C60 anchors, which in turn makes
the junctions more sensitive to the functionalization of the molecular core
with appropriate side groups.Comment: 9 pages, 7 figure
Biology, fisheries and culture of tropical groupers and snappers
Groupers and snappers are important fishery resources of the tropics and subtropics, where their high values have caused most of their stocks to be heavily exploited, some even to the point of collapse. Trends towards heavy demand and decreasing natural supply, which are accelerating in several parts of the world, prompted various mariculture ventures. Focused research on biology and the population dynamics of groupers and snappers, and on their reproduction and growth under controlled condition will remain essential for dealing with the questions on how to better manage their fisheries. This volume of papers presents important scientific findings and views on these two important groups of fish.Percoid fisheries, Fishery biology, Fishery management, Conferences
Molecular dynamics study of the thermopower of Ag, Au, and Pt nanocontacts
Using molecular dynamics simulations of many junction stretching processes we
analyze the thermopower of silver (Ag), gold (Au), and platinum (Pt) atomic
contacts. In all cases we observe that the thermopower vanishes on average
within the standard deviation and that its fluctuations increase for decreasing
minimum cross-section of the junctions. However, we find a suppression of the
fluctuations of the thermopower for the s-valent metals Ag and Au, when the
conductance originates from a single, perfectly transmitting channel. Essential
features of the experimental results for Au, Ag, and copper (Cu) of Ludoph and
van Ruitenbeek [Phys. Rev. B 59, 12290 (1999)], as yet unaddressed by atomistic
studies, can hence be explained by considering the atomic and electronic
structure at the disordered narrowest constriction of the contacts. For the
multivalent metal Pt our calculations predict the fluctuations of the
thermopower to be larger by one order of magnitude as compared to Ag and Au,
and suppressions of the fluctuations as a function of the conductance are
absent.Comment: 13 pages, 10 figure
Length-dependent conductance and thermopower in single-molecule junctions of dithiolated oligophenylene derivatives
We study theoretically the length dependence of both conductance and
thermopower in metal-molecule-metal junctions made up of dithiolated
oligophenylenes contacted to gold electrodes. We find that while the
conductance decays exponentially with increasing molecular length, the
thermopower increases linearly as suggested by recent experiments. We also
analyze how these transport properties can be tuned with methyl side groups.
Our results can be explained by considering the level shifts due to their
electron-donating character as well as the tilt-angle dependence of conductance
and thermopower. Qualitative features of the substituent effects in our
density-functional calculations are explained using a tight-binding model. In
addition, we observe symmetry-related even-odd transmission channel
degeneracies as a function of molecular length.Comment: 7 pages, 9 figures; submitted to Phys. Rev.
Conduction Channels of One-Atom Zinc Contacts
We have determined the transmission coefficients of atomic-sized Zn contacts
using a new type of breakjunction which contains a whisker as a central bridge.
We find that in the last conductance plateau the transport is unexpectedly
dominated by a well-transmitting single conduction channel. We explain the
experimental findings with the help of a tight-binding model which shows that
in an one-atom Zn contact the current proceeds through the 4s and 4p orbitals
of the central atom.Comment: revtex4, 5 pages, 5 figure
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