111. Structural phases of ordered FePc-nanochains self-assembled on Au(110)Betti Maria Grazia, Pierluigi Gargiani, Carlo Mariani, Roberto Biagi, Jun Fujii, Giorgio Rossi, Andrea Resta, Stefano Fabris, Sara Fortuna, Xavier Torrelles, Manvendra Kumar, Maddalena Pedio, 2012, original scientific article Abstract: Iron-phthalocyanine molecules deposited on the Au(110) reconstructed channels assemble into one-dimensional molecular chains, whose spatial distribution evolves into different structural phases at increasing molecular density. The plasticity of the Au channels first induces an ordered phase with a 5×5 symmetry, followed by a second long-range ordered structure composed by denser chains with a 5×7 periodicity with respect to the bare Au surface, as observed in the low-energy electron-diffraction (LEED) and grazing incidence X-ray diffraction (GIXRD) patterns. The geometry of the FePc molecular assemblies in the Au nanorails is determined by scanning tunneling microscopy (STM). For the 5×7 phases, the GIXRD analysis identifies a “4-3” rows profile along the [001] direction in the Au surface and an on-top FePc adsorption site, further confirmed by density functional theory (DFT) calculations. The latter also reveals the electronic mixing of the interface states. The chain assembly is driven by the molecule–molecule interaction and the chains interact with the Au nanorails via the central metal atom, while the chain–chain distance in the different structural phases is primarily driven by the plasticity of the Au surface.
Keywords: STM, LEED, DFT, density functional theory, phthalocyanine, Au(110), gold, surface
Published in RUNG: 13.10.2016; Views: 5974; Downloads: 0
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112. Molecule-Driven Substrate Reconstruction in the Two-Dimensional Self-Organization of Fe-Phthalocyanines on Au(110)Sara Fortuna, Pierluigi Gargiani, Maria Grazia Betti, Carlo Mariani, Arrigo Calzolari, Silvio Modesti, Stefano Fabris, 2012, original scientific article Abstract: The structural patterns formed by molecular self-assembly at surfaces are usually controlled by the relative strengths of the intermolecular and molecule–substrate interactions. An additional steering effect is present when the substrate can easily reconstruct upon molecular adsorption, which therefore drives a self-templating effect on the metal support. This is here demonstrated for the model case of Fe-phthalocyanine molecules adsorbed on the Au(110) surface. Scanning tunneling microscopy shows that molecular adsorption promotes a local (1 × 5) surface reconstruction, which drives the assembly of molecular chains along the [11̅0] direction. The order and periodicity of the molecular assemblies are determined with low energy electron diffraction patterns. Density functional theory calculations reveal the energetic origins of the molecule-driven substrate reconstruction. Since the function of molecular overlayers at surfaces is strongly correlated to their structure, these results have implications in the design of new metal/molecular interfaces.
Keywords: self-assembly, phthalocyanine, Au(110), DFT, density functional theory, simulation, surface, recontruction
Published in RUNG: 11.10.2016; Views: 5837; Downloads: 0
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113. Oxalic acid adsorption states on the clean Cu(110) surfaceSara Fortuna, 2016, original scientific article Abstract: Carboxylic acids are known to assume a variety of configurations on metallic surfaces. In particular oxalic acid on the Cu(110) surface has been proposed to assume a number of upright configurations. Here we explore with DFT calculations the possible structures that oxalic acid can form on copper 110 at different protonation states, with particular attention at the possibility of forming structures composed of vertically standing molecules. In its fully protonated form it is capable of anchoring itself on the surface thanks to one of its hydrogen-free oxygens. We show the monodeprotonated upright molecule with two oxygens anchoring it on the surface to be the lowest energy conformation of a single oxalic molecules on the Cu(110) surface. We further show that it is possible for this configuration to form dense hexagonally arranged patterns in the unlikely scenario in which adatoms are not involved.
Keywords: oxalic acid, oxalate, cu(110), copper, surface, adsorption, density functional theory, DFT
Published in RUNG: 11.10.2016; Views: 5873; Downloads: 0
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115. Azimuthal asymmetry in the risetime of the surface detector signals of the Pierre Auger ObservatoryA. Aab, Andrej Filipčič, Gašper Kukec Mezek, Ahmed Saleh, Samo Stanič, Marta Trini, Darko Veberič, Serguei Vorobiov, Lili Yang, Danilo Zavrtanik, Marko Zavrtanik, 2016, original scientific article Abstract: The azimuthal asymmetry in the risetime of signals in Auger surface detector stations is a source of information on shower development. The azimuthal asymmetry is due to a combination of the longitudinal evolution of the shower and geometrical effects related to the angles of incidence of the particles into the detectors. The magnitude of the effect depends upon the zenith angle and state of development of the shower and thus provides a novel observable, (secθ)max, sensitive to the mass composition of cosmic rays above 3×1018 eV. By comparing measurements with predictions from shower simulations, we find for both of our adopted models of hadronic physics (QGSJETII-04 and EPOS-LHC) an indication that the mean cosmic-ray mass increases slowly with energy, as has been inferred from other studies. However, the mass estimates are dependent on the shower model and on the range of distance from the shower core selected. Thus the method has uncovered further deficiencies in our understanding of shower modeling that must be resolved before the mass composition can be inferred from (secθ)max.
Keywords: ultra-high energy cosmic rays (UHECR), UHECR mass composition, Pierre Auger Observatory, extensive air showers, Auger Surface Detector signals risetime, azimuthal symmetry
Published in RUNG: 15.04.2016; Views: 6659; Downloads: 0
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116. |
117. Initial results of a direct comparison between the Surface Detectors of the Pierre Auger Observatory and the Telescope ArrayR. Takeishi, Andrej Filipčič, Gašper Kukec Mezek, Ahmed Saleh, Samo Stanič, Marta Trini, Darko Veberič, Serguei Vorobiov, Lili Yang, Danilo Zavrtanik, Marko Zavrtanik, 2015, published scientific conference contribution Abstract: The Pierre Auger Observatory (Auger) in Mendoza, Argentina and
the Telescope Array (TA) in Utah, USA aim at unraveling the
origin and nature of Ultra-High Energy Cosmic Rays (UHECR).
At present, there appear to be subtle differences between Auger
and TA results and interpretations. Joint working groups have
been established and have already reported preliminary
findings. From an experimental standpoint, the Surface
Detectors (SD) of both experiments make use of different
detection processes not equally sensitive to the components of
the extensive air showers making it to the ground. In particular, the muonic component of the shower measured at
ground level can be traced back to the primary composition,
which is critical for understanding the origin of UHECRs.
In order to make direct comparisons between the SD detection
techniques used by Auger and TA, a joint SD experimental
research program is being developed. In the first phase,
two Auger SD stations were deployed at the TA Central Laser
Facility to compare station-level responses. This paper
concentrates on the results obtained with the first Auger SD
station (an “Auger North” design), which has been operating
since October 2014. The second Auger SD station, identical to
the ones being operated at Auger in Argentina (an “Auger South”
design), was just deployed in June 2015. The second phase of
this research program will be to co-locate six Auger North SD
stations with TA stations in the field to compare event-level
responses.
Keywords: Ultra-High Energy Cosmic Rays, Pierre Auger Observatory, Telescope Array, extensive air showers, secondary cosmic rays, muonic shower component, surface detectors
Published in RUNG: 08.03.2016; Views: 5904; Downloads: 191
 Full text (1,42 MB) |
118. Solar Cycle Modulation of Cosmic Rays Observed with the Low Energy Modes of the Pierre Auger ObservatoryJimmy Masías-Meza, Andrej Filipčič, Gašper Kukec Mezek, Ahmed Saleh, Samo Stanič, Marta Trini, Darko Veberič, Serguei Vorobiov, Lili Yang, Danilo Zavrtanik, Marko Zavrtanik, 2015, published scientific conference contribution Abstract: The low energy modes of the surface detector array of the
Pierre Auger Observatory record variations in the flux of low
energy secondary particles with extreme detail. These two modes
consist of recording (1) the rate of signals for energies
between ∼15 MeV and ∼100 MeV (the Scaler mode) and (2) the
calibration charge histograms of the individual pulses detected
by each water-Cherenkov station, covering different energy
channels up to ∼1 GeV (the Histogram mode). Previous work has
studied the flux of galactic cosmic rays on short and
intermediate time scales (i.e. from minutes to weeks) using
these low energy modes. In this work, after including a long-
term correction to the response of the detectors, we present
the first long-term analysis of the flux of cosmic rays using
scalers and two energy bands of the calibration histograms.
We show its sensitivity to the solar cycle variation and its
relation to the solar modulation of cosmic rays for an 8-year
period.
Keywords: Pierre Auger Observatory, Surface Detector, secondary cosmic rays, scaler mode, charge histogram mode, solar cycle modulation
Published in RUNG: 03.03.2016; Views: 6062; Downloads: 209
Full text (533,18 KB) |
119. Azimuthal asymmetry in the risetime of the Surface Detector signals of the Pierre Auger ObservatoryIgnacio Minaya, Andrej Filipčič, Gašper Kukec Mezek, Ahmed Saleh, Samo Stanič, Marta Trini, Darko Veberič, Serguei Vorobiov, Lili Yang, Danilo Zavrtanik, Marko Zavrtanik, 2015, published scientific conference contribution Abstract: The azimuthal asymmetry in the risetime of signals in Auger
surface detector stations is a source of information on shower
development. The azimuthal asymmetry is due to a combination of
the longitudinal evolution of the shower and geometrical
effects related to the angles of incidence of the particles
into the detectors. The magnitude of the effect depends upon
the zenith angle and state of development of the shower and
thus provides a novel observable sensitive to the mass
composition of cosmic rays above 3 × 10[sup]18 eV. By comparing
measurements with predictions from shower simulations, we find
for both of our adopted models of hadronic physics (QGSJetII-
04 and Epos-LHC) an indication that the mean cosmic-ray mass
increases with energy, as has been inferred from other studies.
However the absolute values derived for the mass are dependent
on the shower model and on the range of distance from the
shower core selected. Thus the method has uncovered further
deficiencies in our understanding of shower modelling that must
be resolved before the mass composition can be inferred from
(sec θ)max.
Keywords: Pierre Auger Observatory, Surface Detector, risetime of detector signal, azimuthal asymmetry, extensive air showers
Published in RUNG: 03.03.2016; Views: 5872; Downloads: 199
Full text (243,04 KB) |
120. Real-time motor unit identification from high-density surface EMGVojko Glaser, Aleš Holobar, Damjan Zazula, 2013, original scientific article Abstract: This study addresses online decomposition of high-density surface electromyograms (EMG) in real-time. The proposed method is based on previouslypublished Convolution Kernel Compensation (CKC) technique and sharesthe same decomposition paradigm, i.e. compensation of motor unit action potentials and direct identification of motor unit (MU) discharges. In contrast to previously published version of CKC, which operates in batch mode and requires ~ 10 s of EMG signal, the real-time implementation begins with batch processing of ~ 3 s of the EMG signal in the initialization stage and continues on with iterative updating of the estimators of MU discharges as blocks of new EMG samples become available. Its detailed comparison to previously validated batch version of CKC and asymptotically Bayesian optimal Linear Minimum Mean Square Error (LMMSE) estimator demonstrates high agreementin identified MU discharges among all three techniques. In the case of synthetic surface EMG with 20 dB signal-to-noise ratio, MU discharges were identified with average sensitivity of 98 %. In the case of experimental EMG, real-time CKC fully converged after initial 5 s of EMG recordings and real-time and batch CKC agreed on 90 % of MU discharges, on average. The real-time CKC identified slightly fewer MUs than its batch version (experimental EMG, 4 MUs versus 5 MUs identified by batch CKC, on average), but required only 0.6 s of processing time on regular personal computer for each second of multichannel surface EMG.
Keywords: discharge pattern, high-density EMG, surface EMG, motor unit, real time decomposition
Published in RUNG: 05.01.2016; Views: 6478; Downloads: 0 |
