Records |
Author |
Van Wesenbeeck, K. |
Title |
Plasma catalysis as an efficient and sustainable air purification technology |
Type |
Doctoral thesis |
Year |
2016 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
171 p. |
Keywords |
Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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ISBN |
978-90-5728-514-1 |
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UA library record |
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no |
Call Number |
UA @ admin @ c:irua:135267 |
Serial |
8388 |
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Author |
Charlier, E.; Gijbels, R.; Van Doorselaer, M.; De Keyzer, R. |
Title |
Functioning of thiocyanate ions during sulphur and sulphur-plus-gold Sensitization |
Type |
P1 Proceeding |
Year |
2000 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
172-176 |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Not much about the effect of thiocyanate addition on the sulphur ripening is known, although it is used for many applications in photographic practice. Via a combination of tracer analysis and diffuse reflectance spectroscopy the effect of thiocyanate addition on the sulphur and sulphur-plus-gold ripening could be unveiled. When thiocyanate is added prior to the sulphur addition, it appears to rearrange the silver halide surface in such way that the sulphur deposition rate is enhanced, but the supply of interstitials is limited. Addition of thiocyanate after the sulphur reaction results in the formation of thiocyanate complexes with silver, from which a silver ion is more easily deposited in a surface cell of the silver sulphide clusters thus enhancing the sensitization rate. For sulphur-plus-gold sensitized emulsions it was observed that part of the gold ions could be removed out of the Ag2-xAuxS clusters by addition of thiocyanate ions and subsequent washing. Hence, it was concluded that two different types of gold ions are present in the silver sulphide clusters; 1. gold ions which are substitutional for silver (bound between sulphur and bromide ions) 2. gold ions which bridge two or three sulphur atoms. Incorporation of gold ions into silver sulphide clusters suppresses their optical absorption in diffuse reflectance spectroscopy. Since the optical absorption at 505 nm can completely be restored by addition of thiocyanate, it is assumed that the entity absorbing at this wavelength is a monomer of silver sulphide. |
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Publisher |
Soc. imaging science technology |
Place of Publication |
Springfield |
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Wos |
000183315900047 |
Publication Date |
0000-00-00 |
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ISSN |
0-89208-229-1 |
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UA library record; WoS full record; |
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Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:95775 |
Serial |
1307 |
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Author |
Flammia, L. |
Title |
Emergent phenomena in nanostructured quantum-confined superconducting films |
Type |
Doctoral thesis |
Year |
2018 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
172 p. |
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:158197 |
Serial |
5208 |
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Author |
Verstraelen, H. |
Title |
Corrosion in ballast tanks on board of merchant vessels : study of the relation between steel quality and corrosion |
Type |
Doctoral thesis |
Year |
2013 |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
172 p. |
Keywords |
Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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ISBN |
978-90-5718-278-5 |
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UA library record |
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no |
Call Number |
UA @ admin @ c:irua:112176 |
Serial |
7737 |
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Author |
Samaee, V. |
Title |
In-situ transmission electron microscopic nanomechanical investigations of Ni |
Type |
Doctoral thesis |
Year |
2018 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
172 p. |
Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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no |
Call Number |
UA @ admin @ c:irua:156143 |
Serial |
8075 |
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Author |
Devreese, J.T.; Shi, J.M.; Peeters, F.M. |
Title |
Magneto-polaron effect on shallow donors in 3D en Q2S systems |
Type |
H3 Book chapter |
Year |
1993 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
173-184 |
Keywords |
H3 Book chapter; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Publisher |
Kluwer |
Place of Publication |
Dordrecht |
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0000-00-00 |
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no |
Call Number |
UA @ lucian @ c:irua:20360 |
Serial |
1908 |
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Author |
Razzokov, J. |
Title |
Molecular level simulations for plasma medicine applications |
Type |
Doctoral thesis |
Year |
2019 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
173 p. |
Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:159654 |
Serial |
5277 |
Permanent link to this record |
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Author |
Pilehvar, S.; De Wael, K. |
Title |
Recent advances in electrochemical biosensors based on fullerene-C60 nano-structured platforms |
Type |
H1 Book chapter |
Year |
2017 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
173-196 |
Keywords |
H1 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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ISBN |
978-1-119-24390-8 |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:146374 |
Serial |
5804 |
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Author |
Verbruggen, S. |
Title |
TiO2 gas phase photocatalysis from morphological design to plasmonic enhancement |
Type |
Doctoral thesis |
Year |
2014 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
173 p. |
Keywords |
Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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ISBN |
978-90-5728-441-0 |
Additional Links |
UA library record |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:116937 |
Serial |
5998 |
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Author |
Nematollahi, P. |
Title |
Density functional theory calculations for understanding gas conversion reactions on single metal atom embedded carbon-based nanocatalysts |
Type |
Doctoral thesis |
Year |
2020 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
173 p. |
Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:169310 |
Serial |
6481 |
Permanent link to this record |
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Author |
Markowicz, A.; Raeymaekers, B.; Van Grieken, R.; Adams, F. |
Title |
Analytical electron microscopy of single particles |
Type |
H3 Book chapter |
Year |
1986 |
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Issue |
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Pages |
173-197
T2 - Physical and chemical characterizatio |
Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
Call Number |
UA @ admin @ c:irua:117504 |
Serial |
7455 |
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Author |
Bencs, L.; Ravindra, K.; Van Grieken, R. |
Title |
Determination of ultra-trace levels of palladium in environenmental samples by graphite furnace atomic spectrometry techniques |
Type |
H3 Book chapter |
Year |
2006 |
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Pages |
173-189
T2 - Palladium emissions in the environmen |
Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
Call Number |
UA @ admin @ c:irua:54921 |
Serial |
7795 |
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Author |
Injuk, J.; de Bock, L.; Van Grieken, R. |
Title |
Structural heterogeneity within airborne particles |
Type |
H3 Book chapter |
Year |
1998 |
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173-202
T2 - Atmospheric particles / Harrison, R.M |
Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
Call Number |
UA @ admin @ c:irua:20969 |
Serial |
8586 |
Permanent link to this record |
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Author |
Hao, Y. |
Title |
A joint experimental-modeling study of the structure and properties of functional molecular monolayers for the control of organic crystal growth |
Type |
Doctoral thesis |
Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
xiii, 174 p. |
Keywords |
Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Among all types of discovered crystals, those formed by organic molecules show the greatest diversity, which results from the intrinsic complexity of the organic molecules and the weak interactions between them. Even for a given compound, different crystal structures can exist. This feature is referred to as polymorphism in the modern crystallographic context and those different crystal forms are called polymorphs. In reality, the crystallization of organic molecules is often performed at the surface of a substrate, giving rise to heterogeneous crystallization. Except for the well-known catalyzing effects, the existence of substrates brings more possibilities to the polymorphic behaviors of organic molecules, promoting the formation of new polymorphs that are only stable in the vicinity of the substrates. For this reason, these new polymorphic forms are often described as substrate-induced polymorphs (SIPs). It is of great importance to understand the formation of SIPs for organic molecules as it has been reported that SIPs can show superior properties with respect to their bulk form counterparts. Up to now, most studies focus on the identifying and characterizing the presence of SIPs, which relies mainly on X-ray diffraction techniques. However, a detailed explanation about the origin of SIPs is still missing. In this work, we have combined several powerful experimental characterization techniques, including X-ray diffraction, transmission electron microscopy (TEM) and scanning tunneling microscopy (STM) in order to reach an integrated view over the formation of SIPs. These experimental studies are strongly supported by computational chemistry simulations, such as density functional theory and molecular dynamics. A big advantage of using atomistic simulations is that it enables the possibility to predict a priori the crystal structures of SIPs and to establish a posteriori the general rules for the formation of SIPs. In practice, this thesis employs state-of-art atomistic simulation approaches in order to bridge substrate-induced polymorphism with a conceptually-connected research area: the self-assembly of molecular networks (SAMNs), also called 2D crystallization. Unlike SIPs, which extend at least several molecular layers, SAMNs are composed of a single layer of molecules with ordered packing. Our simulations have enabled a more comprehensive understanding about the role of substrate during the formation of SIPs and we elucidate how the positional and orientational order of molecules propagates from the substrate to the upper 2D and even 3D crystal layers. In this way, a fundamental understanding of the substrate-induced crystallization is gained by connecting 2D and 3D crystallization using substrate-induced approaches. |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:191758 |
Serial |
7176 |
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Author |
Gonzalez Garcia, A. |
Title |
Tuning the properties of group III-As in the thinnest limit : a theoretical study of single layer and 2D-heterostructures |
Type |
Doctoral thesis |
Year |
2021 |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
xvii, 175 p. |
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
Abstract |
In this thesis, a first-principles research to tune the physical properties of group III-V materials in the thinnest limit is carried out. Among the different methods to tune the mechanical, electronic and magnetic properties of these graphene related materials, we use: two-dimensional (2D) multilayers, straintronics, hydrogen functionalization, and transition metal adsorption. The first part of this research is devoted to a complete characterization of the structural, electronic, mechanical and vibrational properties of 2D group III-As monolayers, obtained from density functional theory. Our findings are used to understand the contribution of the |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:182959 |
Serial |
7040 |
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Author |
Tschulkow, M. |
Title |
A techno-environmental economic assessment of a lignin-first biorefinery : a dynamic and prospective framework for emerging technologies |
Type |
Doctoral thesis |
Year |
2022 |
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Abbreviated Journal |
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Issue |
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Pages |
175 p. |
Keywords |
Doctoral thesis; Engineering sciences. Technology; Engineering Management (ENM) |
Abstract |
Novel emerging biorefinery technologies have gained interest and have the potential to tackle several sustainability challenges in our society. A lignin-first biorefinery process – reductive catalytic fractionation (RCF) – is currently under development with the aim to process wood into high-value end-products that replace highly polluting fossil oil-based products. However, such emerging technologies are not matured yet, holding a certain degree of technological, economic, and environmental uncertainty. Hence, an appropriate assessment method is required to assess techno-economic feasibility and environmental impacts of emerging uncertain technologies (e.g lignin-first RCF process). This dissertation aims to develop an integrated techno-environmental economic assessment framework to assess emerging technologies dynamically and prospectively from economic and environmental points of view. First, a techno-economic assessment (TEA) is performed to assess the economic feasibility and the most influential economic and technological parameters of the lignin-first RCF biorefinery taking the whole wood value chain into account. By making the relations across the wood value chain, the scale of the biorefinery, wood species, and output prices highly determine the economic feasibility. The economic feasibility can be reached by a sufficient capacity level which depends on wood species-specific conditions. Also, waste wood proves to be the most profitable feedstock in comparison to virgin wood. Second, an analytical real options analysis (ROA) is performed taking two correlated market uncertainties and the value of flexibility into account to identify the optimal investment decision in an RCF biorefinery. Two different investment options, separated and united investments in harvesting equipment and RCF biorefinery, are analyzed. In both scenarios, market uncertainty postpones the investment. When both investment decisions are united, the probability of investment increases in comparison to separated investments. The study reveals that RCF has the potential to stimulate investments within the wood value chain. Third, a consequential life cycle assessment (LCA) is performed to assess the carbon emissions and the environmental consequences of the lignin-first RCF process and its products. The study reveals that at the current stage RCF products have higher carbon emissions than their alternative counterparts. Several options to improve the environmental performance are discussed such as different RCF technology configurations, targeting different RCF products with the ability to replace higher polluting alternative counterparts on the markets. Other discussion points such as transportation type and the distance, (in-)direct land-use change, the use stage and disposal stages implications, and a more comprehensive environmental view of the RCF products, show the potential to improve the environmental performance of the RCF technology. Overall, the study shows that the RCF process can be environmentally desirable if the appropriate RCF configuration and products are chosen. Finally, the above-mentioned methods – techno-economic assessment, analytical real options analysis, and consequential life cycle assessment – are uniquely integrated within the newly developed integrated assessment framework. The framework has the aim to complement the shortcomings and combine the advantages of all three methods. The framework assesses emerging technologies to give predictive insights about the time-specific economic and environmental performance under the newly developed three threshold conditions: technological readiness, economic feasibility, and environmental desirability. The developed integrated assessment framework assesses dynamically and prospectively the RCF biorefinery implementation under Belgian conditions. It reveals that the economic feasibility increases and carbon emissions decrease over time. The RCF biorefinery fulfills all three threshold conditions – technological readiness, economic feasibility, and environmental desirability – consecutively. The newly developed integrated assessment framework offers decision support to several stakeholders of emerging technologies starting from low technology readiness level (TRL). Practitioners such as the technology developers, researchers, and policymakers can use the framework to evaluate emerging technologies that deal with high levels of technological, economic, and environmental uncertainties. The framework assesses emerging technologies on a detailed level to give decision-makers in-depth insights into the intertwined nature of the technological, economic, and environmental dimensions. It offers insights into the expected time-specific economic and environmental performances, potential, and challenges of the emerging technology to further improve the technology and direct R&Ds along the right path. |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:188968 |
Serial |
7369 |
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Author |
Hendriks, E.; Geldof, M.; van den Berg, K.J.; Monico, L.; Miliani, C.; Moretti, P.; Iwanicka, M.; Targowski, P.; Megens, L.; de Groot, S.; van Keulen, H.; Janssens, K.; Vanmeert, F.; van der Snickt, G. |
Title |
Conservation of the Amsterdam sunflowers : from past to future |
Type |
H1 Book chapter |
Year |
2019 |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
175-205
T2 - Van Gogh’s Sunflowers illuminated – a |
Keywords |
H1 Book chapter; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
Abstract |
This chapter lays out a conservation timeline, from past to future, for the Amsterdam version of Van Gogh's Sunflowers. It starts by considering the restoration history of the painting in order to assess its current physical state, and looks ahead to formulate an appropriate strategy for future conservation treatment and display. Due attention is paid to the two recorded episodes of restoration performed in 1927 and 1961 by the Dutch restorer, Jan Cornelis Traas. Based on physical and chemical investigation of Sunflowers we attempt to reconstruct what these former treatments (which are barely documented) entailed and consider the repercussions for the present condition of the painting. The former interventions by Traas also serve as a benchmark to reflect on current choices made, highlighting the extent to which ideas and methodologies have continued to evolve over the past century as conservation has moved further away from being a singularly craft-based activity to become an established historical and scientific discipline underpinned by ethical guidelines. Jan Cornelis Traas (1898–1984) As mentioned, the two main recorded interventions to the Amsterdam Sunflowers may be associated with the Dutch restorer, Jan Cornelis Traas, who treated the picture in 1927, close to the start of his career, and again in 1961, shortly before he retired. Traas was the first restorer to be appointed at the Mauritshuis in The Hague where he worked from 1931 to 1962 and treated hundreds of paintings, including iconic masterpieces such as Girl with a Pearl Earring by Johannes Vermeer. Yet despite the magnitude and importance of his restoration oeuvre, J.C. Traas (as he is usually referred to in surviving documents), has remained somewhat obscure. He is shown here in the only known surviving photograph of him at work, shortly before he retired (fig. 7.1). Unlike his illustrious contemporaries, A. Martin de Wild (1899–1969) and Helmut Ruhemann (1891–1973), for example, Traas did not publish anything, he appears to have kept no records of his work and no personal archive is known. However, the study of some newly discovered historical documents, combined with physical examination of Sunflowers and a large number of other works he treated, allows us to recover an idea of his working practices and approaches viewed within the context of his day. |
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2020-11-25 |
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978-94-6372-532-3 |
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no |
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UA @ admin @ c:irua:190780 |
Serial |
7727 |
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Author |
Gielis, J.; Brasili, S. |
Title |
Proceedings of the 1st International Symposium on Square Bamboos and the Geometree (ISSBG 2022) |
Type |
ME3 Book as editor |
Year |
2023 |
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Pages |
xi, 175 p. |
Keywords |
ME3 Book as editor; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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2023-11-29 |
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978-90-833839-0-3 |
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Most recent IF: NA |
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UA @ admin @ c:irua:201049 |
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9077 |
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Author |
Bogaerts, A.; Gijbels, R. |
Title |
Plasma models |
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H3 Book chapter |
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1997 |
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176-191 |
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H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Wiley |
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New York |
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0000-00-00 |
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Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:19610 |
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2638 |
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Author |
van Vaeck, L.; van Roy, W.; Gijbels, R.; Adams, F. |
Title |
Structural characterization of organic molecules by laser mass spectrometry |
Type |
H3 Book chapter |
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1993 |
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177-319 |
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H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Wiley |
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New York |
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0000-00-00 |
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UA @ lucian @ c:irua:6124 |
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3222 |
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Author |
Hervieu, M.; Martin, C.; Van Tendeloo, G.; Mercey, B.; Maignan, A.; Jirak, Z.; Raveau, B. |
Title |
Charge ordering and phase transitions in perovskite manganites: correlation with CMR properties |
Type |
H3 Book chapter |
Year |
2000 |
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Pages |
179-182 |
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H3 Book chapter; Electron microscopy for materials research (EMAT) |
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s.l. |
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0000-00-00 |
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UA library record |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:54728 |
Serial |
336 |
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Author |
Li, L. |
Title |
Untangling microbial community assembly in rainforest and grassland soils under increasing precipitation persistence |
Type |
Doctoral thesis |
Year |
2023 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
179 p. |
Keywords |
Doctoral thesis; Integrated Molecular Plant Physiology Research (IMPRES); Plant and Ecosystems (PLECO) – Ecology in a time of change |
Abstract |
Climate change is causing alterations in precipitation patterns, leading to adverse ecological consequences in many ecosystems. Recently, an increasingly persistent weather pattern has emerged, characterized by lengthening the duration of alternating dry and wet periods, which is more complex than exclusively drought or increasing precipitation. It is currently unclear how soil microbial communities respond to these new regimes in relation to their interactions with plants, especially in precipitation-sensitive ecosystems, such as tropical rainforests and grasslands. In this thesis, we explored responses of soil bacterial and fungal communities to increasing weather persistence in rainforests and grasslands, using high throughput sequencing technology. We firstly investigated the resistance and resilience of microbial communities to prolonged drought in a mature seasonal tropical rainforest which experiences unusually intensive dry seasons in the current century. Through excluding rainfall during and after the dry season, a simulated prolongation of the dry season by five months was compared to the control. Our results indicate that as rain exclusion progressed, the microbial communities increasingly diverged from the control, indicating a moderate resistance to prolonged drought. However, when the drought ceased, the composition and co-occurrence patterns of soil microbial communities immediately recovered to that in the control, implying a high resilience. To further investigate the ecological roles of soil microbial communities in response to increasing weather persistence, we set up grassland mesocosm experiments. In these experiments, precipitation frequency was adjusted along a series, ranging from 1 to 60 consecutive days alternating of dry and wet periods, while keeping the total precipitation constant. Our results show that microbial community assembly tended to be more stochastic processes at intermediate persistence of dry and wet alternations while more deterministic processes dominated at low and high persistence within 120 days regime exposure. Moreover, more persistent precipitation reduced the fungal diversity and network connectivity but barely impacted that of bacterial communities. The prior experiences of persistent weather events for one year caused legacy effects. The soil microbial legacy induced by soil microbial communities subjected to prior persistent weather events was more enduring in subsequent fungal communities than bacterial communities, likely due to slower growth of fungi compared to bacteria. However, a minor effect of soil microbial legacy was observed on plant performance. In addition, we kept the grassland mesocosm experiment for two growing seasons. The effects of precipitation persistence on soil microbial communities increased in the second year. The dissimilarities of microbial communities between the first and second year were less with more persistent precipitation, potentially resulting in more vulnerable microbial communities, due to some taxa disappearing and a reduction in functional redundancy under more persistent weather. To conclude, our findings provide a comprehensive theoretical understanding of soil microbial communities in response to the current and future climate change, drawing from both natural and experimental systems. It helps in predicting and managing the impacts of future climate change on ecosystems mediated by microbial communities. Additionally, the findings of microbe-mediated legacy effects on grassland ecosystems can provide practical guidance for their application in agriculture, specifically for using an inoculum to mitigate the impacts of climate change. |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:198498 |
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9240 |
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Author |
Lenaerts, J.; Verlinden, G.; Gijbels, R.; Geuens, I.; Callant, P. |
Title |
The exchange of fluorinated dyes between different types of silver halide microcrystals studied by time of flight secondary ion mass spectrometry (TOF-SIMS) |
Type |
P1 Proceeding |
Year |
2000 |
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180-183 |
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P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Soc Imaging Science Technology |
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Springfield |
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000183315900049 |
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0000-00-00 |
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2000 |
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0-89208-229-1 |
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UA library record; WoS full record; |
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Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:95776 |
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3580 |
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Author |
Callaert, C. |
Title |
Characterization of defects, modulations and surface layers in topological insulators and structurally related compounds |
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Doctoral thesis |
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2020 |
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180 p. |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:165867 |
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6288 |
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Author |
Fenu, A. |
Title |
Modelling and operations of municipal membrane bioreactors : from conventional to novel applications |
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Doctoral thesis |
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2016 |
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180 p. |
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Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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978-90-5728-504-2 |
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no |
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UA @ admin @ c:irua:157025 |
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8266 |
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Author |
Jelić, Ž. |
Title |
Emergent vortex phenomena in spatially and temporally modulated superconducting condensates |
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Doctoral thesis |
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2018 |
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181 p. |
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Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:149394 |
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5209 |
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Author |
Hassani, H. |
Title |
First-principles study of polarons in WO₃ |
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Doctoral thesis |
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2023 |
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181 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
Abstract |
Polarons are quasiparticles emerging in materials from the interaction of extra charge carriers with the surrounding atomic lattice. They appear in a wide va- riety of compounds and can have a profound impact on their properties, making the concept of a polaron a central and ubiquitous topic in material science. Al- though the concept is known for about 75 years, the origin of polarons is not yet fully elucidated. This thesis focuses on WO 3 as a well-known prototypical system for studying polarons, which inherent polaronic nature is linked to its remark- able electrical and chromic properties. The primary objective of this research is to provide a comprehensive atomistic description and understanding of polaron formation in WO 3 using first-principles density functional theory (DFT) calcula- tions. Additionally, the investigation explores the interactions between polarons and the possibility of bipolaron formation. Following a systematic strategy, we first extensively analyze the dielectric and lattice dynamical properties of WO 3 in both the room-temperature P 2 1 /n and ground-state P 2 1 /c phases. Our specific focus is on characterizing the zone-center phonons, which serve as the founda- tion for identifying the phonon modes involved in the polaron formation and charge localization process. Subsequently, we examine the impact of structural distortions on the electronic structure of WO 3 to elucidate the interplay between structural distortions and electronic properties, thereby laying the groundwork for understanding electron-phonon couplings. By incorporating these critical fac- tors, we address our primary research goals. The most common explanation for the polaron formation is associated with the electrostatic screening of the extra charge by the polarizable lattice. Here, we show that, even in ionic crystals, this is not necessarily the case. We demonstrate that polarons in this compound arise primarily from non-polar atomic distortions. We then unveil that this unexpected behavior originates from the undoing of distortive atomic motions, which lowers the bandgap. As such, we coin the name of anti-distortive polaron and validate its appearance through a simple quantum-dot model, in which charge localization is the result of balancing structural, electronic, and confinement energy costs. Then, we also study the polaron-polaron interaction and present the formation of the antiferromagnetic W 4+ bipolaronic state with relatively large formation energy. Our analysis of the W 4+ bipolaronic distortions on the global structure reveals the same behavior as in experiments where the highly distorted monoclinic phase transforms into a tetragonal phase as a function of doping. Additionally, leveraging our previous findings on asymmetric polaronic distortion and examin- ing different merging orientations, we stabilize the antiferromagnetic W 5+ -W 5+ bipolaronic state with an energy lower than the W 4+ state. This thesis clari- fies the formation of unusual medium-size 2D polarons and bipolarons in WO3,which might be relevant to the whole family of ABO 3 perovskites, to which WO 3 is closely related. The simplicity of the concept provides also obvious guidelines for tracking similar behavior in other families of compounds. |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:198169 |
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8868 |
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Author |
Van Hoecke, L. |
Title |
CFD-Assisted design of fluidized reactors for H2 release from LOHC |
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Doctoral thesis |
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2024 |
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XXXIII, 181 p. |
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Doctoral thesis; Engineering sciences. Technology |
Abstract |
Hydrogen (H2) is expected to become a key molecule in the transition towards a society running on renewable energy. It can be used to store excess renewable energy at peak production moments and release this energy at a later stage when renewable energy production is less. However, storing H2 is challenging due to the low density of this gas. As a solution, Liquid Organic Hydrogen Carriers or LOHC molecules have been proposed in the passed to increase volumetric energy density of H2. LOHC are a class of molecules that have storage sites available, to which the H2 gas can be chemically bounded. The LOHC molecule under investigation was dibenzyltoluene (DBT), which is an oil like liquid, that is easy to transport and poses little fire or explosion risks. To release the H2 from the DBT carrier, via a so-called dehydrogenation reaction, efficient mass and heat transfer is required during the process, since a large volume increase is expected from H2 release and the reaction is endothermic, i.e., a self – cooling process that takes place at temperatures around 300 C. The heat has to be supplied specifically to the active sites of catalyst particles that are present inside the reactor and which enable the dehydrogenation to proceed. For heat transfer limited processes fluidized bed reactors are often used, which is a type of reactor where the particle phase is being agitated by the fluid flow. The research proposed in this work, was to explore via computational fluid dynamics (CFD) simulations the possibilities and challenges of using fluidized bed reactors for the dehydrogenation of LOHC. The model selection required for CFD simulations of a three-phase system was investigated in this work, with a main emphasis on the drag model selection. The CFD modelling study was focused on the use of swirling fluidized bed reactors, since it was hypothesised that the swirling effect could also aid in increased removal of the gas phase from the reaction medium to increase the efficiency of the process. Ultimately, it was shown that the main challenges in the design of fluidized bed reactors will be to create uniform particle distribution inside the reactor. A new design for a dehydrogenation reactor is proposed based on the insights gained in this thesis. |
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2024-06-14 |
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Call Number |
UA @ admin @ c:irua:205645 |
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9192 |
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Van Tendeloo, G.; Amelinckx, S. |
Title |
Electron microscopy of C60 and C70 fullerites |
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H3 Book chapter |
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1993 |
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182-227 |
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H3 Book chapter; Electron microscopy for materials research (EMAT) |
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Springer |
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Berlin |
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0000-00-00 |
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UA @ lucian @ c:irua:7507 |
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965 |
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Author |
Khan, S.U. |
Title |
Singlet oxygen-based photoelectrocatalysis : from photosensitizer structures to plasmonic enhancement |
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Doctoral thesis |
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2023 |
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182 p. |
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Doctoral thesis; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
Abstract |
Singlet molecular oxygen (1O2) has continuously attracted researchers' interest because of its involvement in various processes, such as in photodynamic reactions in biological and chemical systems. 1O2 is an effective electrophile and potent oxidizing agent and can be easily generated by photosensitization via the illumination of organic dyes with visible light. As described in Chapter 1, 1O2 has gained prominence in various applications such as wastewater treatment, photodynamic therapy of cancer, organic synthesis, and recently developed 1O2-based photoelectrochemical (PEC) sensing of phenolic compounds. Phenolic compounds are a potential source of contaminants that originates from industrial effluents and waste products of chemical and pharmaceutical industries. These phenolic compounds pose severe threats to humans and aquatic life after reaching the environment. Therefore, it is imperative to develop photoactive materials that efficiently generate 1O2 and oxidize phenolic compounds and antibiotics. The existing 1O2 generating photosensitizers (PSs) include porphyrins, phthalocyanines (Pcs), subphthalocyanines (SubPcs), and other dyes such as derivatives of xanthene (e.g., Rose Bengal (RB)), and fluorinated boron-dipyrromethene (BODIPYs), and phenothiazinium dyes (e. g. Methylene Blue (MB)) which display long-lived triplet excited state and can be used in 1O2-based applications. This thesis focuses on preparing efficient hybrid materials based on newly synthesized Pcs, different surface area titanium dioxide (TiO2) and plasmonic gold nanoparticles (AuNPs) for their use in the PEC detection of phenolic compounds. The first focus was on developing a fast amperometric method to test the photo-electrocatalytic activity of 1O2 producing PSs dissolved in MeOH based on the redox cycling of an electroactive phenolic compound, hydroquinone (HQ) (Chapter 2). This method of testing PSs does not require the accumulation of a reaction product since the amperometric signal develops near instantly when the light is on, which enables dynamic monitoring of a PSs activity at varying conditions in a single experiment. This method was crucial to measure high 1O2 quantum yield and low yield in the same experimental conditions. Moreover, the obtained results revealed a range of working parameters affecting the PEC activity of PSs. The next goal was to immobilize tert-butyl substituted aluminum Pc (t-BuPcAlCl) on the solid support, which showed a high 1O2 quantum yield. However, before immobilizing Pc on a solid support such as TiO2, it is essential to know the electronic energy level of Pcs for the possible electron transfers from Pcs to TiO2. Therefore, Chapter 3 explored the (spectro)electrochemical properties of t-BuPcAlCl Pc. Next, in Chapter 4, t-BuPcAlCl Pc and other tert-butyl substituted Pcs with Zn central metal, t-BuPcZn, and its metal-free derivative t-BuPcH2 were immobilized on different surface area TiO2. The PEC activity of immobilized Pcs on TiO2 toward different phenols and antibiotics was studied, and the action mechanism was revealed and compared with sterically hindered fluorinated Pc F64PcZn. In the final part of this thesis plasmonic AuNPs were introduced combined with trimethylsilane-protected acetylene functionalized ZnPc (TMSZnPc) to study the synergistic effect that boosts the overall activity toward the detection of phenols under visible light illumination (Chapter 5) . The TMSZnPc was coupled with AuNPs via a click chemistry approach. The 1O2 quantum yield of TMSZnPc improved significantly after conjugating with AuNPs, and, subsequently, the PEC activity for detecting HQ. The theoretical and experimental investigation demonstrated that the plasmonic enhancement of TMSZnPc is driven by the near-field mechanism. This shows the importance of plasmonic AuNPs with other photoactive species for their use in 1O2-based applications. The fundamental knowledge obtained in this doctoral study will ultimately deepen the understanding of developing 1O2-based PEC sensors for detecting phenolic compounds and pharmaceuticals in the wastewater stream, helping to choose efficient materials and, in the last instance, a more sustainable future especially access to clean water for everyone. |
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UA library record |
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Call Number |
UA @ admin @ c:irua:193342 |
Serial |
7337 |
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