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11.
Paramagnetic H-related defects in silica: a first-principles investigation
Luigi Giacomazzi, Layla Martin-Samos, Nicolas Richard, 2016, objavljeni znanstveni prispevek na konferenci

Ključne besede: silica, EPR, E'beta, first-principles, hydrogen related defects
Objavljeno v RUNG: 16.10.2018; Ogledov: 3605; Prenosov: 0
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12.
Accelerating GW calculations with optimal polarizability basis
Paolo Umari, X Qian, Nicola Marzari, G Stenuit, Luigi Giacomazzi, Stefano Baroni, 2011, izvirni znanstveni članek

Ključne besede: GW approximation, silicon nitride, silica, DFT
Objavljeno v RUNG: 16.10.2018; Ogledov: 3276; Prenosov: 0
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13.
Medium Range Structure of Tetrahedrally-Bonded Glasses through the First Principles Investigation of Raman spectra
Luigi Giacomazzi, Alfredo Pasquarello, 2012, objavljeni znanstveni prispevek na konferenci

Ključne besede: silica, germania, glasses, Raman, first-principles
Objavljeno v RUNG: 16.10.2018; Ogledov: 3775; Prenosov: 0
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Dislocation properties of coesite from an ab-initio parametrized interatomic potential
Luigi Giacomazzi, Philippe Carrez, Sandro Scandolo, Patrique Cordier, 2011, izvirni znanstveni članek

Ključne besede: coesite, ab-initio, dislocations, silica
Objavljeno v RUNG: 15.10.2018; Ogledov: 2979; Prenosov: 0
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16.
Medium-range structure of vitreous SiO2 obtained through first-principles investigation of vibrational spectra
Luigi Giacomazzi, Paolo Umari, Alfredo Pasquarello, 2009, izvirni znanstveni članek

Ključne besede: silica, Raman, infrared, v-DOS, first-principles, glass
Objavljeno v RUNG: 15.10.2018; Ogledov: 3114; Prenosov: 0
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17.
EPR parameters of E' centers in v-SiO2 from first-principles calculations
Luigi Giacomazzi, Layla Martin-Samos, A. Boukenter, Youcef Ouerdane, Sylvain Girard, Nicolas Richard, 2014, izvirni znanstveni članek

Ključne besede: silica, paramagnetic defects, EPR, disordered semiconductors
Objavljeno v RUNG: 03.10.2018; Ogledov: 3887; Prenosov: 0
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Packing patterns of silica nanoparticles on surfaces of armored polystyrene latex particles
Sara Fortuna, Catheline A. L. Colard, Stefan A. F. Bon, Alessandro Troisi, 2009, izvirni znanstveni članek

Opis: Fascinating packing patterns of identical spherical and discotic objects on curved surfaces occur readily in nature and science. Examples include C60 fullerenes,(1, 2)13-atom cuboctahedral metal clusters,(3) and S-layer proteins on outer cell membranes.(4) Numerous situations with surface-arranged objects of variable size also exist, such as the lenses on insect eyes, biomineralized shells on coccolithophorids,(5) and solid-stabilized emulsion droplets(6) and bubbles.(7) The influence of size variations on these packing patterns, however, is studied sparsely. Here we investigate the packing of nanosized silica particles on the surface of polystyrene latex particles fabricated by Pickering miniemulsion polymerization of submicrometer-sized armored monomer droplets. We are able to rationalize the experimental morphology and the nearest-neighbor distribution with the help of Monte Carlo simulations. We show that broadening of the nanoparticle size distribution has pronounced effects on the self-assembled equilibrium packing structures, with original 12-point dislocations or grain-boundary scars gradually fading out.
Ključne besede: packing patterns, silica, simulation, Monte Carlo, order, disorder, transition, armored particles, nanoparticles, Pickering emulsion
Objavljeno v RUNG: 10.10.2016; Ogledov: 4589; Prenosov: 0
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