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22. Ice cloud formation potential by free tropospheric particles from long-range transport over the Northern Atlantic OceanSwarup China, Peter A. Alpert, Bo Zhang, Simeon K. Schum, Katja Džepina, Kendra Wright, R. Chris Owen, Paulo Fialho, Lynn R. Mazzoleni, Claudio Mazzoleni, 2017, original scientific article Abstract: Long-range transported free tropospheric particles can play a significant role on heterogeneous ice nucleation. Using optical and electron microscopy we examine the physicochemical characteristics of ice nucleating particles (INPs). Particles were collected on substrates from the free troposphere at the remote Pico Mountain Observatory in the Azores Islands, after long-range transport and aging over the Atlantic Ocean. We investigate four specific events to study the ice formation potential by the collected particles with different ages and transport patterns. We use single-particle analysis, as well as bulk analysis to characterize particle populations. Both analyses show substantial differences in particle composition between samples from the four events; in addition, single-particle microscopy analysis indicates that most particles are coated
by organic material. The identified INPs contained mixtures of dust, aged sea salt and soot, and organic material acquired either at the source or during transport. The temperature and relative humidity (RH) at which ice formed, varied only by 5% between samples, despite differences in particle composition, sources, and transport patterns. We hypothesize that this small variation in the onset RH may be due to the coating material on the particles. This study underscores and motivates the need to further investigate how long-range transported and atmospherically aged free tropospheric particles impact ice cloud formation. Keywords: atmospheric aerosols, ice nucleating particles, long-range transport, optical microscopy, electron microscopy, Pico Mountain Observatory Published in RUNG: 11.04.2021; Views: 2526; Downloads: 133 Link to full text This document has many files! More... |
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24. v-P2O5 micro-clustering in P-doped silica studied by a first-principles Raman investigationLuigi Giacomazzi, Layla Martin-Samos, Antonino Alessi, A. Boukenter, Youcef Ouerdane, Sylvain Girard, Nicolas Richard, Matjaž Valant, Stefano de Gironcoli, 2019, original scientific article Keywords: silica, POHC, optical fibers, Raman, EPR Published in RUNG: 10.05.2019; Views: 3554; Downloads: 0 This document has many files! More... |
25. Overview of radiation induced point defects in silica-based optical fibersSylvain Girard, Antonino Alessi, Vincenzo De Michele, Youcef Ouerdane, A. Boukenter, Adriana Morana, Nicolas Richard, Philippe Paillet, Marco Cannas, Simonpietro Agnello, Imène Reghioua, Blaz Winkler, Layla Martin-Samos, Luigi Giacomazzi, Diego Di Francesca, Thierry Robin, 2019, review article Keywords: optical fibers, point defects, radiation-induced attenuation, GLPC, NBOHC, STH, ODC, P-doping, Ge-doping, Al-doping Published in RUNG: 09.05.2019; Views: 3498; Downloads: 0 This document has many files! More... |
26. OXYGEN-EXCESS RELATED DEFECTS IN SiO2-BASED MATERIALS: COUPLING THEORY AND EXPERIMENTSBlaž Winkler, 2019, doctoral dissertation Abstract: This work is primarily focused on application of standard first-principle computational approaches to model oxygen excess related point defects in amorphous silica. Atomic models with their respective electronic and optical properties are explored together with some conversion mechanisms between defect models.
The first chapter overviews extensive literature about the already known properties of oxygen related defects. Second chapter briefly introduces main methods that have been used in this research, in particular Density Functional Theory (DFT) as energy and force engine with short description of minimal energy path (MEP) algorithm used for modeling chemical/migration reactions, GW approximation for charged electronic excitations (band structure) and Bethe-Salpeter Equation (BSE) for neutral excitations (optical absorption and excitonic structure including electron hole interaction). The third chapter is devoted to the presentation of results. Thanks to the calculation of optical properties of peroxy bridge (POL), a correlation has been found between structural disorder, specifically dihedral angle dispersion, and low coupling with light, which has been identified as main reason why no clear absorption bands have been assigned to the POL. Structure and stability of some other defects, like interstitial ozone molecule (ozonyl) and dioxasilirane (silicon analogy of dioxirane), have been studied. These defects are usually not considered as most important species, however their calculated formation energies are lower compared to some known defects, which indicates they might be present in silica.
From a detailed study on possible reaction mechanisms, it has been found that ozonyl might be one of the most important intermediate steps for oxygen exchange reactions. Results also show that dioxasilirane can be spontaneously created during the interaction of oxygen with lone pair defects. By exploring different reactions between oxygen and pre-existing oxygen deficiency centers (ODCs), calculations predict two kinds of passivation behaviors: single-barrier reversible mechanisms with the formation of dioxasilirane-like groups, for which the network keeps the memory of the precursory lone pair defects, and single or multiple-barrier mechanisms, for which the network loses its memory, either because of the high reverse barrier or because of a reconstruction.
Final part of this research has been devoted to experimental characterization of the response and tolerance of optical fibers loaded with oxygen under irradiation. These include experiments on commercial fiber along with canonical samples (Optical fibers developed with the intention of studying correlations between different fabrication parameters, dopant/impurity concentration and doping concentrations). Studied fibers also include rare-earth doped fibers. Keywords: Silica, DFT, GW-approximation, Bethe-Salpeter equation, NEB, defect, oxygen, oxygen excess centers, oxygen deficiency centers, optical absorption, optical fibers, radiation induced attenuation. Published in RUNG: 07.05.2019; Views: 4622; Downloads: 202 Full text (13,18 MB) |
27. Properties of tropospheric aerosols observed over southwest SloveniaTingyao He, Yingying Chen, Samo Stanič, Klemen Bergant, Fei Gao, Dengxin Hua, 2018, original scientific article Abstract: From August to October 2010 lidar measurements of aerosols in the troposphere were performed at Otlica observatory, Slovenia, using a vertical scanning elastic lidar. The lidar data sample, which contains 38 nighttime vertical profiles of the mean aerosol extinction, was combined with continuous ozone concen- tration (O3), particulate matter concentrations (PM) and daily radiosonde data. The obtained radiosonde- and lidar-derived heights of the atmospheric boundary layer (ABL), which varied considerably from day to day, were found to be in good agreement. The mean values of the aerosol optical depth (AOD) at 355 nm, were calculated separately for the ABL and for the free troposphere (FT). A ten-fold increase of the FT AOD was observed during the days with predicted presence of Saharan dust above the lidar site. To correlate AOD values with the type and origin of aerosols, backward trajectories of air-masses above Otlica were modeled using the HYSPLIT model and clustered. High ABL AOD values were found to be correlated with local circulations and slowly approaching air masses from the Balkans and low values with northwestern flows. The highest values correlated with southwestern flows originating in northern Africa. Keywords: Aerosol, Optical depth, Lidar, Atmospheric boundary layer Published in RUNG: 22.02.2019; Views: 3989; Downloads: 0 This document has many files! More... |
28. Radiation Effects on Optical Fibers and Fiber-Based SensorsSylvain Girard, A. Boukenter, Youcef Ouerdane, Nicolas Richard, Philippe Paillet, Layla Martin-Samos, Luigi Giacomazzi, Claude Marcandella, 2015, independent scientific component part or a chapter in a monograph Keywords: Optical Fibers, radiation-induced point defects, dosimetry, ab-initio Published in RUNG: 24.10.2018; Views: 3896; Downloads: 0 This document has many files! More... |
29. PHOTO-EXCITATION ENERGY INFLUENCE ON THE PHOTOCONDUCTIVITY OF ORGANIC SEMICONDUCTORSNadiia Pastukhova, 2018, doctoral dissertation Abstract: In this work, we experimentally studied the influence of photoexcitation energy
influence on the charge transport in organic semiconductors. Organic semiconductors
were small molecules like corannulene, perylene and pentacene derivatives, polymers
such as polythiophene and benzothiophene derivatives, and graphene, along with
combinations of these materials in heterojunctions or composites.
The first part of this study is focused on the photoexcitation energy influence on
the transient photoconductivity of non-crystalline curved π-conjugated corannulene
layers. The enhanced photoconductivity, in the energy range where optical absorption
is absent, is deduced from theoretical predictions of corannulene gas-phase excited
state spectra. Theoretical analysis reveals a consistent contribution involving
transitions to Super Atomic Molecular Orbitals (SAMOs), a unique set of diffuse
orbitals typical of curved π-conjugated molecules. More, the photoconductivity of the
curved corannulene was compared to the π-conjugated planar N,N′-1H,1H-
perfluorobutyldicyanoperylene-carboxydi-imide
(PDIF-CN2),
where
the
photoexcitation energy dependence of photocurrent closely follows the optical
absorption spectrum.
We next characterized charge transport in poly(3-hexylthiophene) (P3HT) layers
deposited from solution. Our results indicate that time-of-flight (TOF) mobility
depends on the photoexcitation energy. It is 0.4× 10 −3 cm 2 /Vs at 2.3 eV (530 nm) and
doubles at 4.8 eV (260 nm). TOF mobility was compared to field-effect (FET) mobility
of P3HT field-effect transistors (OFETs). The FET mobility was similar to the 2.3 eV
excitation TOF mobility. In order to improve charge mobility, graphene nanoparticles
were blended within a P3HT solution before the deposition. We found that the mobility
significantly improves upon the addition of graphene nanoparticles of a weight ratio
as low as 0.2 %. FET mobility increases with graphene concentration up to a value of
2.3× 10 −2 cm 2 /Vs at 3.2 %. The results demonstrate that phase segregation starts to
influence charge transport at graphene concentration of 0.8 % and above. Hence, the
graphene cannot form a bridged conduction channel between electrodes, which would
cancel the semiconducting effect of the polymer composite.
An alternative approach to enhance mobility is to optimize the molecular ordering
of organic semiconductors. For that purpose, we studied an innovative nanomesh
device. Free-standing nanomesh devices were used to form nanojunctions of N,N′-
iiDioctyl-3,4,9,10-perylenedicarboximide (PTCDI-C8) nanowires and crystalline
bis(triisopropylsilylethinyl)pentacene (TIPS-PEN). We characterized the photocurrent
response time of this novel nanomesh scaffold device. The photoresponse time
depends on the photon energy. It is between 4.5 − 5.6 ns at 500 nm excitation
wavelength and between 6.7 − 7.7 ns at 700 nm excitation wavelength. In addition, we
found that thermal annealing reduces charge carrier trapping in crystalline nanowires.
This confirms that the structural defects are crucial to obtaining high photon-to-charge
conversion efficiency and subsequent transport from pn junction in heterostructured
materials.
Structural defects also influence the power conversion efficiency of organic
heterostructured photovoltaics (OPVs). Anticipating that polymers with different
backbone lengths produce different level of structural defects, we examined charge
transport
dependence
on
the
molecular
weight
of
poly[4,8-bis(5-(2-
ethylhexyl)thiophen-2-yl)benzo[1,2-b;4,5-b']dithiophene-2,6-diyl-alt-(4-(2-
ethylhexyl)-3-fluorothieno[3,4-b]thiophene-)-2-carboxylate-2-6-diyl]
(PTB7-Th)
from 50 kDa to 300 kDa. We found p-type hopping transport in PTB7-Th,
characterized by 0.1 – 3× 10 −2 cm 2 /Vs mobility, which increases with temperature and
electric field. The polymer molecular weight exhibits a non-trivial influence on charge
transport. FET mobility in the saturation regime increases with molecular weight. A
similar trend is observed in TOF mobility and FET mobility in the linear regime,
except for the 100kDa polymer, which manifests in the highest mobility due to reduced
charge trapping. The lowest trapping at the dielectric interface of OFET is observed at
200 kDa. In addition, the 200 kDa polymer exhibits the lowest activation energy of the
charge transport. Although the 100 kDa polymer indicates the highest mobility, OPVs
using the 200 kDa polymer exhibit the best performance in terms of power conversion
efficiency. Keywords: organic
semiconductors, optical
absorption
spectroscopy, time-of-flight
photoconductivity, transient photocurrent spectroscopy, organic thin film transistors, atomic force microscopy, superatomic molecular orbitals, pn heterojunction, organic
nanowires, graphene, composites, charge mobility, charge trapping, temperature
dependence, photodetector, photovoltaic, solar cell, organic electronics Published in RUNG: 08.10.2018; Views: 5716; Downloads: 166 Full text (4,56 MB) |
30. Neutron irradiation effects on the structural properties of KU1, KS-4V and I301 silica glassesM. León, Luigi Giacomazzi, Sylvain Girard, Nicolas Richard, P. Martín, Layla Martin-Samos, A. Ibarra, A. Boukenter, Youcef Ouerdane, 2014, original scientific article Keywords: silica, defects, optical fibers, hardening Published in RUNG: 03.10.2018; Views: 3964; Downloads: 0 This document has many files! More... |