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1.
Search for Spectral Irregularities due to Photon-Axionlike-Particle Oscillations With the Fermi Large Area Telescope
Gabrijela Zaharijas, 2016, original scientific article

Found in: ključnih besedah
Summary of found: ...dark matter, gammarays theory, gamma rays experiment...
Keywords: dark matter, gammarays theory, gamma rays experiment
Published: 26.04.2016; Views: 1791; Downloads: 0
.pdf Fulltext (801,77 KB)

2.
Development of the Model of Galactic Interstellar Emission for Standard Point-Source Analysis of Fermi Large Area Telescope Data
Gabrijela Zaharijas, 2016, original scientific article

Found in: ključnih besedah
Summary of found: ...gamma rays experiment, gamma rays theory, Galactic diffuse emission...
Keywords: gamma rays experiment, gamma rays theory, Galactic diffuse emission
Published: 26.04.2016; Views: 1409; Downloads: 0
.pdf Fulltext (4,59 MB)

3.
Ge(2), Ge(1) and Ge-E´ centers in irradiated Ge-doped silica
Layla Martin-Samos, Nicolas Richard, S. Girard, A. Boukenter, Youcef Ouerdane, Luigi Giacomazzi, 2015, original scientific article

Found in: ključnih besedah
Summary of found: ...silica, density-functional theory, defects, ...
Keywords: silica, density-functional theory, defects
Published: 17.05.2016; Views: 1451; Downloads: 39
URL Fulltext (0,00 KB)

4.
Complementarity of Galactic radio and collider data in constraining WIMP dark matter models
Yann Mambrini, Michel H.G. Tytgat, Gabrijela Zaharijas, Brzan Zaldívar, 2012, original scientific article

Found in: ključnih besedah
Summary of found: ...dark matter theory, dark matter experiments, absorption, radiation, ...
Keywords: dark matter theory, dark matter experiments, absorption, radiation
Published: 09.05.2017; Views: 927; Downloads: 7
URL Fulltext (0,00 KB)

5.
Ultra high energy neutrinos
Lili Yang, Cecilia Lunardini, Eray Sabancilar, 2013, original scientific article

Found in: ključnih besedah
Summary of found: ...energy, cosmic rays, cosmological neutrinos, cosmic ray theory, ...
Keywords: ultra high energy, cosmic rays, cosmological neutrinos, cosmic ray theory
Published: 09.05.2017; Views: 970; Downloads: 6
URL Fulltext (0,00 KB)

6.
Structure-property relationships of curved aromatic materials from first principles
Layla Martin-Samos, Laura Zoppi, Kim K. Baldridge, 2014, original scientific article

Found in: ključnih besedah
Summary of found: ...organic molecules, organic crystals, many-body perturbation theory, optical properties, ...
Keywords: organic molecules, organic crystals, many-body perturbation theory, optical properties
Published: 16.06.2016; Views: 1118; Downloads: 48
URL Fulltext (0,00 KB)

7.
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.
Found in: ključnih besedah
Summary of found: ...low energy electron diffraction patterns. Density functional theory calculations reveal the energetic origins of the...
Keywords: self-assembly, phthalocyanine, Au(110), DFT, density functional theory, simulation, surface, recontruction
Published: 11.10.2016; Views: 1491; Downloads: 0
.pdf Fulltext (2,97 MB)

8.
Formation of Hybrid Electronic States in FePc Chains Mediated by the Au(110) Surface
Maria Grazia Betti, Pierluigi Gargiani, Carlo Mariani, Stefano Turchini, Nicola Zema, Sara Fortuna, Arrigo Calzolari, Stefano Fabris, 2012, original scientific article

Abstract: Iron–phthalocyanine (FePc) molecules deposited on the Au(110) surface self-organize in ordered chains driven by the reconstructed Au channels. The interaction process induces a rehybridization of the electronic states localized on the central metal atom, breaking the 4-fold symmetry of the molecular orbitals of the FePc molecules. The molecular adsorption is controlled by a symmetry-determined mixing between the electronic states of the Fe metal center and of the Au substrate, as deduced by photoemission and absorption spectroscopy exploiting light polarization. DFT calculations rationalize this mixing of the Fe and Au states on the basis of symmetry arguments. The calculated electronic structure reproduces the main experimental spectral features, which are associated to a distorted molecular structure displaying a trigonal bipyramidal geometry of the ligands around the metal center.
Found in: ključnih besedah
Summary of found: ...phthalocyanine, Au(110), gold, surface, DFT, density functional theory, calculation, simulation...
Keywords: phthalocyanine, Au(110), gold, surface, DFT, density functional theory, calculation, simulation
Published: 13.10.2016; Views: 1624; Downloads: 0
.pdf Fulltext (3,25 MB)

9.
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.
Found in: ključnih besedah
Summary of found: ...adsorption site, further confirmed by density functional theory (DFT) calculations. The latter also reveals the...
Keywords: STM, LEED, DFT, density functional theory, phthalocyanine, Au(110), gold, surface
Published: 13.10.2016; Views: 1573; Downloads: 0
.pdf Fulltext (1,33 MB)

10.
Spin and orbital configuration of metal phthalocyanine chains assembled on the Au(110) surface
Gargiani Pierluigi, Giorgio Rossi, Roberto Biagi, Valdis Corradini, Maddalena Pedio, Sara Fortuna, Arrigo Calzolari, Stefano Fabris, Julio Criginski Cezar, N. B. Brookes, Maria Grazia Betti, 2013, original scientific article

Abstract: The spin and orbital configuration of magnetic metal phthalocyanines (MPcs) deposited on metallic substrates are strongly influenced by the rehybridization of the molecular states with the underlying metal. FePc, CoPc, and CuPc isolated molecules are archetypal systems to investigate the interrelationship between magnetic moments and orbital symmetry after deposition on a metallic substrate. MPcs form long-range ordered chains self-assembled along the reconstructed channels of the Au(110) surface. X-ray magnetic circular dichroism from the L2,3 absorption edges of Fe, Co, and Cu shows that the orbital and spin configuration are strongly modified upon adsorption on the Au(110) surface if the orbitals responsible of the magnetic moment are involved in the interaction process. The magnetic moment for a single layer of molecular chains is completely quenched for the CoPc molecules, fully preserved for the CuPc and reduced for the FePc ones. The modified magnetic configuration is confined to the very interface layer, i.e., to the MPc molecules bound to the metal substrate up to the compact packing of the single layer. The different response can be rationalized in terms of the symmetry/orientation of the metal-ion d states interacting with the substrate states, as indicated by density functional theory calculations in agreement with experimental findings.
Found in: ključnih besedah
Summary of found: ...substrate states, as indicated by density functional theory calculations in agreement with experimental findings....
Keywords: phthalocyanine, Au(110), gold, self-assembly, pattern, configuration, density functional theory, DFT, CuPc, FePc
Published: 12.10.2016; Views: 1483; Downloads: 0
.pdf Fulltext (1,73 MB)

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