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Author Joy, R.M.; Pobedinskas, P.; Bourgeois, E.; Chakraborty, T.; Goerlitz, J.; Herrmann, D.; Noel, C.; Heupel, J.; Jannis, D.; Gauquelin, N.; D'Haen, J.; Verbeeck, J.; Popov, C.; Houssiau, L.; Becher, C.; Nesladek, M.; Haenen, K.
Title Photoluminescence of germanium-vacancy centers in nanocrystalline diamond films : implications for quantum sensing applications Type A1 Journal article
Year 2024 Publication ACS applied nano materials Abbreviated Journal
Volume 7 Issue (down) 4 Pages 3873-3884
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Point defects in diamond, promising candidates for nanoscale pressure- and temperature-sensing applications, are potentially scalable in polycrystalline diamond fabricated using the microwave plasma-enhanced chemical vapor deposition (MW PE CVD) technique. However, this approach introduces residual stress in the diamond films, leading to variations in the characteristic zero phonon line (ZPL) of the point defect in diamond. Here, we report the effect of residual stress on germanium-vacancy (GeV) centers in MW PE CVD nanocrystalline diamond (NCD) films fabricated using single crystal Ge as the substrate and solid dopant source. GeV ensemble formation indicated by the zero phonon line (ZPL) at similar to 602 nm is confirmed by room temperature (RT) photoluminescence (PL) measurements. PL mapping results show spatial nonuniformity in GeV formation along with other defects, including silicon-vacancy centers in the diamond films. The residual stress in NCD results in shifts in the PL peak positions. By estimating a stress shift coefficient of (2.9 +/- 0.9) nm/GPa, the GeV PL peak position in the NCD film is determined to be between 598.7 and 603.2 nm. A larger ground state splitting due to the strain on a GeV-incorporated NCD pillar at a low temperature (10 K) is also reported. We also report the observation of intense ZPLs at RT that in some cases could be related to low Ge concentration and the surrounding crystalline environment. In addition, we also observe thicker microcrystalline diamond (MCD) films delaminate from the Ge substrate due to film residual stress and graphitic phase at the diamond/Ge substrate interface (confirmed by electron energy loss spectroscopy). Using this approach, a free-standing color center incorporated MCD film with dimensions up to 1 x 1 cm(2) is fabricated. Qualitative analysis using time-of-flight secondary ion mass spectroscopy reveals the presence of impurities, including Ge and silicon, in the MCD film. Our experimental results will provide insights into the scalability of GeV fabrication using the MW PE CVD technique and effectively implement NCD-based nanoscale-sensing applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001164609600001 Publication Date 2024-02-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2574-0970 ISBN Additional Links UA library record; WoS full record
Impact Factor 5.9 Times cited Open Access
Notes Approved Most recent IF: 5.9; 2024 IF: NA
Call Number UA @ admin @ c:irua:204826 Serial 9164
Permanent link to this record
 
 
Author Tiwari, S.; Van de Put, M.; Sorée, B.; Hinkle, C.; Vandenberghe, W.G.
Title Reduction of magnetic interaction due to clustering in doped transition-metal dichalcogenides : a case study of Mn-, V-, and Fe-doped WSe₂ Type A1 Journal article
Year 2024 Publication ACS applied materials and interfaces Abbreviated Journal
Volume 16 Issue (down) 4 Pages 4991-4998
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Using Hubbard-U-corrected density functional theory calculations, lattice Monte Carlo simulations, and spin Monte Carlo simulations, we investigate the impact of dopant clustering on the magnetic properties of WSe2 doped with period four transition metals. We use manganese (Mn) and iron (Fe) as candidate n-type dopants and vanadium (V) as the candidate p-type dopant, substituting the tungsten (W) atom in WSe2. Specifically, we determine the strength of the exchange interaction in Fe-, Mn-, and V-doped WSe2 in the presence of clustering. We show that the clusters of dopants are energetically more stable than discretely doped systems. Further, we show that in the presence of dopant clustering, the magnetic exchange interaction significantly reduces because the magnetic order in clustered WSe2 becomes more itinerant. Finally, we show that the clustering of the dopant atoms has a detrimental effect on the magnetic interaction, and to obtain an optimal Curie temperature, it is important to control the distribution of the dopant atoms.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001155511900001 Publication Date 2024-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record
Impact Factor 9.5 Times cited Open Access
Notes Approved Most recent IF: 9.5; 2024 IF: 7.504
Call Number UA @ admin @ c:irua:203830 Serial 9169
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Author Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V.
Title Tailoring weak and metallic phases in a strong topological insulator by strain and disorder : conductance fluctuations signatures Type A1 Journal article
Year 2024 Publication Physical review B Abbreviated Journal
Volume 109 Issue (down) 4 Pages 045129-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Transport measurements are readily used to probe different phases in disordered topological insulators (TIs), where determining topological invariants explicitly is challenging. On that note, universal conductance fluctuations (UCF) theory asserts the conductance G for an ensemble has a Gaussian distribution, and that standard deviation 8G depends solely on the symmetries and dimensions of the system. Using a real-space tight -binding Hamiltonian on a system with Anderson disorder, we explore conductance fluctuations in a thin Bi2Se3 film and demonstrate the agreement of their behavior with UCF hypotheses. We further show that magnetic field applied out-of-plane breaks the time -reversal symmetry and transforms the system's Wigner-Dyson class from root symplectic to unitary, increasing 8G by 2. Finally, we reveal that while Bi2Se3 is a strong TI, weak TI and metallic phases can be stabilized in presence of strain and disorder, and detected by monitoring the conductance fluctuations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001173938400008 Publication Date 2024-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited Open Access
Notes Approved Most recent IF: 3.7; 2024 IF: 3.836
Call Number UA @ admin @ c:irua:204765 Serial 9177
Permanent link to this record
 
 
Author Lugli, L.F.; Fuchslueger, L.; Vallicrosa, H.; Van Langenhove, L.; Ranits, C.; Garberi, P.R.F.; Verryckt, L.; Grau, O.; Brechet, L.; Peguero, G.; Llusia, J.; Ogaya, R.; Marquez, L.; Portillo-Estrada, M.; Ramirez-Rojas, I.; Courtois, E.; Stahl, C.; Sardans, J.; Penuelas, J.; Verbruggen, E.; Janssens, I.
Title Contrasting responses of fine root biomass and traits to large-scale nitrogen and phosphorus addition in tropical forests in the Guiana shield Type A1 Journal article
Year 2024 Publication Oikos: a journal of ecology Abbreviated Journal
Volume 2024 Issue (down) 4 Pages e10412-14
Keywords A1 Journal article; Engineering sciences. Technology; Plant and Ecosystems (PLECO) – Ecology in a time of change
Abstract Fine roots mediate plant nutrient acquisition and growth. Depending on soil nutrient availability, plants can regulate fine root biomass and morphological traits to optimise nutrient acquisition. Little is known, however, about the importance of these parameters influencing forest functioning. In this study, we measured root responses to nutrient additions to gain a mechanistic understanding of plant adaptations to nutrient limitation in two tropical forests in French Guiana, differing twofold in their soil nutrient statuses. We analysed the responses of root biomass, mean root diameter (RD), specific root length (SRL), specific root area (SRA), root tissue density (RTD) and carbon (C), nitrogen (N) and phosphorus (P) concentrations in roots down to 15 cm soil depth after three years of N and P additions. At the lower-fertility site Paracou, no changes in root biomass or morphological traits were detected with either N or P addition, although P concentrations in roots increased with P addition. In the higher fertility site, Nouragues, root biomass and P concentrations in roots increased with P addition, with no changes in morphological traits. In contrast, N addition shifted root traits from acquisitive to more conservative by increasing RTD. A significant interaction between N and P in Nouragues pointed to stronger responses to P addition in the absence of N. Our results suggest that the magnitude and direction of root biomass and trait expression were regulated by soil fertility, corroborated by the response to N or P additions. At low fertility sites, we found lower plasticity in root trait expression compared to more fertile conditions, where N and P additions caused stronger and antagonistic responses. Identifying the exact role of mechanisms affecting root nutrient uptake in Amazon forests growing in different soils will be crucial to foresee if and how rapid global changes can affect their carbon allocation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001142552200001 Publication Date 2024-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0030-1299 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.4 Times cited Open Access
Notes Approved Most recent IF: 3.4; 2024 IF: 4.03
Call Number UA @ admin @ c:irua:202834 Serial 9195
Permanent link to this record
 
 
Author Okamura, I.; Van Passel, S.; Fabri, C.; Senda, T.
Title A Ricardian analysis of climate change impacts on Japan's agriculture : accounting for solar radiation Type A1 Journal article
Year 2023 Publication Climate change economics Abbreviated Journal
Volume 14 Issue (down) 4 Pages 2350022-2350025
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract This study evaluates the effects of climate change on the net revenue of farmers in Japan. We adopted the Ricardian model, which implicitly accounts for farmers’ full adaptation. The main findings of this study are as follows. First, the Ricardian regression shows that changes in temperature significantly impact farmers’ net revenue. In contrast, changes in precipitation have limited effects on farmers’ net revenue. The results of future predictions showed that the effects of climate change are positive across the country, with varying degrees between north and south. These results are more optimistic than those in the existing literature, which frequently reveal negative climate change impacts in southern Japan. However, it should be noted that this model assumes full adaptation and does not consider the transition costs of farmers, and understanding the actual adaptive measures is an important remaining issue.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001075308800001 Publication Date 2023-08-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2010-0086 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:199659 Serial 9223
Permanent link to this record
 
 
Author Piacente, G.; Peeters, F.M.; Betouras, J.J.
Title Normal modes of a quasi-one-dimensional multichain complex plasma Type A1 Journal article
Year 2004 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 70 Issue (down) 3Part 2 Pages
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We studied equally charged particles, suspended in a complex plasma, which move in a plane and interact with a screened Coulomb potential (Yukawa type) and with an additional external confining parabolic potential in one direction, which makes the system quasi-one-dimensional (Q1D). The normal modes of the system are studied in the presence of dissipation. We also investigated how a perpendicular magnetic field couples the phonon modes with each other. Two different ways of exciting the normal modes are discussed: (1) a uniform excitation of the Q1D lattice, and (2) a local forced excitation of the system in which one particle is driven by, e.g., a laser. Our results are in very good agreement with recent experimental findings on a finite single chain system [Liu , Phys. Rev. Lett. 91, 255003 (2003)]. Predictions are made for the normal modes of multichain structures in the presence of damping.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000224302300081 Publication Date 2004-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 18 Open Access
Notes Approved Most recent IF: 2.366; 2004 IF: NA
Call Number UA @ lucian @ c:irua:69417 Serial 2369
Permanent link to this record
 
 
Author Euán-Díaz, E.C.; Misko, V.R.; Peeters, F.M.; Herrera-Velarde, S.; Castaneda-Priego, R.
Title Single-file diffusion in periodic energy landscapes : the role of hydrodynamic interactions Type A1 Journal article
Year 2012 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
Volume 86 Issue (down) 3Part 1 Pages 031123
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We report on the dynamical properties of interacting colloids confined to one dimension and subjected to external periodic energy landscapes. We particularly focus on the influence of hydrodynamic interactions on the mean-square displacement. Using Brownian dynamics simulations, we study colloidal systems with two types of repulsive interparticle interactions, namely, Yukawa and superparamagnetic potentials. We find that in the homogeneous case, hydrodynamic interactions lead to an enhancement of the particle mobility and the mean-square displacement at long times scales as t(alpha), with alpha = 1/2 + epsilon and epsilon being a small correction. This correction, however, becomes much more important in the presence of an external field, which breaks the homogeneity of the particle distribution along the line and, therefore, promotes a richer dynamical scenario due to the hydrodynamical coupling among particles. We provide here the complete dynamical scenario in terms of the external potential parameters: amplitude and commensurability.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor
Language Wos 000308873500002 Publication Date 2012-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 14 Open Access
Notes ; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), and PIFI 3.4-PROMEP and CONACyT (Grant Nos. 61418/2007 and 102339/2008, Ph.D. Scholarship No. 230171/ 2010). ; Approved Most recent IF: 2.366; 2012 IF: 2.313
Call Number UA @ lucian @ c:irua:101840 Serial 3021
Permanent link to this record
 
 
Author Castelano, L.K.; Hai, G.Q.; Partoens, B.; Peeters, F.M.
Title Two vertically coupled quantum rings with tunneling Type A1 Journal article
Year 2006 Publication Brazilian journal of physics Abbreviated Journal Braz J Phys
Volume 36 Issue (down) 3b Pages 936-939
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication São Paulo Editor
Language Wos 000242535600036 Publication Date 2006-12-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0103-9733; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.732 Times cited 2 Open Access
Notes Approved Most recent IF: 0.732; 2006 IF: 0.494
Call Number UA @ lucian @ c:irua:62133 Serial 3788
Permanent link to this record
 
 
Author Cagno, S.; Cosyns, P.; Ceglia, A.; Nys, K.; Janssens, K.
Title The use of vitrum obsianum in the Roman Empire: some new insights and future prospects Type A1 Journal article
Year 2015 Publication Periodico di mineralogia Abbreviated Journal Period Mineral
Volume 84 Issue (down) 3a Pages 465-482
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The research on the use of obsidian in the Mediterranean is extensive but concerns almost exclusively volcanic glass from prehistoric and Bronze Age contexts. The consumption of obsidian during the Roman imperial period, however, has only occasionally received attention. Never a comprehensive account on what the Romans made in vitrum obsianum has been set up, nor have the sources exploited by them been examined. This paper provides a concise overview of the current knowledge on obsidian during the Roman imperial period and offers an introductory outline on potential research. The ancient writers inform us about the use of volcanic glass to create exclusive vessels, gemstones, mirrors and sculpture, but also about the creation of black appearing man-made glass initiated as a cheap and easier workable substitute of obsidian. The archaeological data on the other hand propose a more complex story with the occurrence of obsidian chunks in early Roman secondary glass workshops, and the bulky use of obsidian in late Antiquity to produce tesserae for the creation of wall and vault mosaics. Because it is extremely difficult to visually distinguish natural obsidian from man-made glass imitations we present in this paper data collected by means of non-destructive chemico-physical analyses SEM-EDX, portable X-ray fluorescence (p-XRF) and Raman spectroscopy to easily distinguish man-made glass from natural obsidian. In particular the use of portable instruments makes possible in situ analysis of objects in archaeological depots or museum collections to help defining distribution networks to better understand the shifting consumption patterns in Antiquity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000365632500007 Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0369-8963 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.883 Times cited 2 Open Access
Notes ; Our sincere gratitude goes to Cecile Evers and Natacha Masar to have granted permission for studying and analysing various obsidian artefacts within the collections of the Royal Museums of Art and History, Brussels (Belgium). We are also very grateful to Roald Doctor, Daniele Foy and Laudine Robin, respectively for having provided the material from Carthage, for the Sidi Jdidi tessera and Lyon. Our appreciation also goes to Ian Freestone and Andrew Meek respectively for having worked out and provided the internal report on the horse foreleg in the British Museum. Finally we wish to thank Jennifer Price, Maria Grazia Diani respectively for the information on the Stanwick fragment and the piece in the Pogliaghi-Varesse collection. This research was supported by the Hercules Foundation (Brussels) with the grant AUHA09004 and FWO (Brussels, Belgium) projects no. G.0C12.13 and G.01769.09 and partly by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/ F50. ; Approved Most recent IF: 0.883; 2015 IF: 0.464
Call Number UA @ admin @ c:irua:130244 Serial 5876
Permanent link to this record
 
 
Author Mortier, S.T.F.C.; Van Hoey, S.; Cierkens, K.; Gernaey, K.V.; Seuntjens, P.; De Baets, B.; De Beer, T.; Nopens, I.
Title A GLUE uncertainty analysis of a drying model of pharmaceutical granules Type A1 Journal article
Year 2013 Publication European journal of pharmaceutics and biopharmaceutics Abbreviated Journal
Volume 85 Issue (down) 3:b Pages 984-995
Keywords A1 Journal article; Pharmacology. Therapy; Sustainable Energy, Air and Water Technology (DuEL)
Abstract A shift from batch processing towards continuous processing is of interest in the pharmaceutical industry. However, this transition requires detailed knowledge and process understanding of all consecutive unit operations in a continuous manufacturing line to design adequate control strategies. This can be facilitated by developing mechanistic models of the multi-phase systems in the process. Since modelling efforts only started recently in this field, uncertainties about the model predictions are generally neglected. However, model predictions have an inherent uncertainty (i.e. prediction uncertainty) originating from uncertainty in input data, model parameters, model structure, boundary conditions and software. In this paper, the model prediction uncertainty is evaluated for a model describing the continuous drying of single pharmaceutical wet granules in a six-segmented fluidized bed drying unit, which is part of the full continuous from-powder-to-tablet manufacturing line (Consigma (TM), GEA Pharma Systems). A validated model describing the drying behaviour of a single pharmaceutical granule in two consecutive phases is used. First of all, the effect of the assumptions at the particle level on the prediction uncertainty is assessed. Secondly, the paper focuses on the influence of the most sensitive parameters in the model. Finally, a combined analysis (particle level plus most sensitive parameters) is performed and discussed. To propagate the uncertainty originating from the parameter uncertainty to the model output, the Generalized Likelihood Uncertainty Estimation (GLUE) method is used. This method enables a modeller to incorporate the information obtained from the experimental data in the assessment of the uncertain model predictions and to find a balance between model performance and data precision. A detailed evaluation of the obtained uncertainty analysis results is made with respect to the model structure, interactions between parameters and uncertainty boundaries. (C) 2013 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000330200800019 Publication Date 2013-03-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0939-6411 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:114876 Serial 8005
Permanent link to this record
 
 
Author Lucena, D.; Tkachenko, D.V.; Nelissen, K.; Misko, V.R.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
Title Transition from single-file to two-dimensional diffusion of interacting particles in a quasi-one-dimensional channel Type A1 Journal article
Year 2012 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
Volume 85 Issue (down) 3:1 Pages 031147-031147,12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Diffusive properties of a monodisperse system of interacting particles confined to a quasi-one-dimensional channel are studied using molecular dynamics simulations. We calculate numerically the mean-squared displacement (MSD) and investigate the influence of the width of the channel (or the strength of the confinement potential) on diffusion in finite-size channels of different shapes (i.e., straight and circular). The transition from single-file diffusion to the two-dimensional diffusion regime is investigated. This transition [ regarding the calculation of the scaling exponent (alpha) of the MSD <Delta x(2)(t)> proportional to t(alpha)] as a function of the width of the channel is shown to change depending on the channel's confinement profile. In particular, the transition can be either smooth (i.e., for a parabolic confinement potential) or rather sharp (i.e., for a hard-wall potential), as distinct from infinite channels where this transition is abrupt. This result can be explained by qualitatively different distributions of the particle density for the different confinement potentials.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor
Language Wos 000302117900003 Publication Date 2012-03-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 38 Open Access
Notes ; This work was supported by CNPq, FUNCAP (Pronex grant), the “Odysseus” program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), the bilateral program between Flanders and Brazil, and the collaborative program CNPq-FWO-Vl. ; Approved Most recent IF: 2.366; 2012 IF: 2.313
Call Number UA @ lucian @ c:irua:97784 Serial 3699
Permanent link to this record
 
 
Author Van der Paal, J.; Aernouts, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A.
Title Interaction of O and OH radicals with a simple model system for lipids in the skin barrier : a reactive molecular dynamics investigation for plasma medicine Type A1 Journal article
Year 2013 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 46 Issue (down) 39 Pages 395201
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma medicine has been claimed to provide a novel route to heal wounds and regenerate skin, although very little is currently known about the elementary processes taking place. We carried out a series of ReaxFF-based reactive molecular dynamics simulations to investigate the interaction of O and OH radicals with lipids, more specifically with α-linolenic acid as a model for the free fatty acids present in the upper skin layer. Our calculations predict that the O and OH radicals most typically abstract a H atom from the fatty acids, which can lead to the formation of a conjugated double bond, but also to the incorporation of alcohol or aldehyde groups, thereby increasing the hydrophilic character of the fatty acids and changing the general lipid composition of the skin. Within the limitations of the investigated model, no formation of possibly toxic products was observed.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000324810400007 Publication Date 2013-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 36 Open Access
Notes Approved Most recent IF: 2.588; 2013 IF: 2.521
Call Number UA @ lucian @ c:irua:109904 Serial 1684
Permanent link to this record
 
 
Author Nowak, M.P.; Szafran, B.; Peeters, F.M.
Title Manipulation of two-electron states by the electric field in stacked self-assembled dots Type A1 Journal article
Year 2008 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 20 Issue (down) 39 Pages 395225,1-395225,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A pair of electrons in vertically stacked self-assembled quantum dots is studied and the singlettriplet energy splitting is calculated in an external electric field using the configuration-interaction method. We show that for double quantum dots the dependence of the singlet energy levels on the electric field involves multiple avoided crossings of three energy levels. The exchange interaction, i.e., the energy difference of the lowest triplet and lowest singlet states, can be tuned by an electric field in a wide range of several tens of meV. For electric fields exceeding a threshold value the exchange interaction becomes a linear function of the field when the two electrons in the singlet state start to occupy the same dot. We also consider non-symmetric confinement, non-perfectly aligned dots, in horizontal as well as vertical field orientation. In a stack of three vertically coupled dots the depth of the confinement in the central dot can be used to enhance the exchange interaction. For a deeper central dot the dependence of the exchange interaction on the electric field is anomalousit initially decreases when the field is applied in both directions parallel and antiparallel to the axis of the stack. Such a behavior is never observed for a pair of quantum dots.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000259034200032 Publication Date 2008-09-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 5 Open Access
Notes Approved Most recent IF: 2.649; 2008 IF: 1.900
Call Number UA @ lucian @ c:irua:76592 Serial 1940
Permanent link to this record
 
 
Author Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
Title Plasma species interacting with nickel surfaces : toward an atomic scale understanding of plasma-catalysis Type A1 Journal article
Year 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 116 Issue (down) 39 Pages 20958-20965
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The adsorption probability and reaction behavior of CHx plasma species on various nickel catalyst surfaces is investigated by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. Such catalysts are used in the reforming of hydrocarbons and in the growth of carbon nanotubes, and further insight in the underlying mechanisms of these processes is needed to increase their applicability. Single and consecutive impacts of CHx radicals (x={1,2,3}) were performed on four different Ni surfaces, at a temperature of 400 K. The adsorption probability is shown to be related to the number of free electrons, i.e. a higher number leads to more adsorptions, and the steric hindrance caused by the hydrogen atoms bonded to the impacting CHx species. Furthermore, some of the CH bonds break after adsorption, which generally leads to diffusion of the hydrogen atom over the surface. Additionally, these adsorbed H-atoms can be used in reactions to form new molecules, such as CH4 and C2Hx, although this is dependent on the precise morphology of the surface. New molecules are also formed by subtraction of H-atoms from adsorbed radicals, leading to occasional formation of H2 and C2Hx molecules.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000309375700040 Publication Date 2012-09-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 37 Open Access
Notes Approved Most recent IF: 4.536; 2012 IF: 4.814
Call Number UA @ lucian @ c:irua:101522 Serial 2640
Permanent link to this record
 
 
Author Hermans, I.; Breynaert, E.; Poelman, H.; de Gryse, R.; Liang, D.; Van Tendeloo, G.; Maes, A.; Peeters, J.; Jacobs, P.
Title Silica-supported chromium oxide: colloids as building blocks Type A1 Journal article
Year 2007 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 9 Issue (down) 39 Pages 5382-5386
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000249925500022 Publication Date 2007-10-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 8 Open Access
Notes Approved Most recent IF: 4.123; 2007 IF: 3.343
Call Number UA @ lucian @ c:irua:66752 Serial 3000
Permanent link to this record
 
 
Author Liang, D.; Follens, L.R.A.; Aerts, A.; Martens, J.A.; Van Tendeloo, G.; Kirschhock, C.E.A.
Title TEM observation of aggregation steps in room-temperature silicalite-1 zeolite formation Type A1 Journal article
Year 2007 Publication Journal of physical chemistry C Abbreviated Journal J Phys Chem C
Volume 111 Issue (down) 39 Pages 14283-14285
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000249838300002 Publication Date 2007-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 41 Open Access
Notes ESA; IWT – Flanders; FWO Approved Most recent IF: 4.536; 2007 IF: NA
Call Number UA @ lucian @ c:irua:66617 Serial 3481
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Author Wang, H.; Wang, W.; Yan, J.D.; Qi, H.; Geng, J.; Wu, Y.
Title Thermodynamic properties and transport coefficients of a two-temperature polytetrafluoroethylene vapor plasma for ablation-controlled discharge applications Type A1 Journal article
Year 2017 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 50 Issue (down) 39 Pages 395204
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Ablation-controlled plasmas have been used in a range of technical applications where local thermodynamic equilibrium (LTE) is often violated near the wall due to the strong cooling effect caused by the ablation of wall materials. The thermodynamic and transport properties of ablated polytetrafluoroethylene (PTFE) vapor, which determine the flowing plasma behavior in such applications, are calculated based on a two-temperature model at atmospheric pressure. To our knowledge, no data for PTFE have been reported in the literature. The species composition and thermodynamic properties are numerically determined using the two-temperature Saha equation and the Guldberg-Waage equation according to van de Sanden et al's derivation. The transport coefficients, including viscosity, thermal conductivity and electrical conductivity, are calculated with the most recent collision interaction potentials using Devoto's electron and heavy-particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) in the frame of the Chapman-Enskog method. Results are computed for different degrees of thermal non-equilibrium, i.e. the ratio of electron to heavy-particle temperatures, from 1 to 10, with electron temperature ranging from 300 to 40 000 K. Plasma transport properties in the LTE state obtained from the present work are compared with existing published results and the causes for the discrepancy analyzed. The two-temperature plasma properties calculated in the present work enable the modeling of wall ablation-controlled plasma processes.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000410390100001 Publication Date 2017-07-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 3 Open Access Not_Open_Access
Notes Approved Most recent IF: 2.588
Call Number UA @ lucian @ c:irua:145603 Serial 4754
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Author Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Peeters, F.M.; Çakir, D.
Title Assessment of sulfur-functionalized MXenes for li-ion battery applications Type A1 Journal article
Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
Volume 124 Issue (down) 39 Pages 21293-21304
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The surface termination of MXenes greatly determines the electrochemical properties and ion kinetics on their surfaces. So far, hydroxyl-, oxygen-, and fluorine-terminated MXenes have been widely studied for energy storage applications. Recently, sulfur-functionalized MXene structures, which possess low diffusion barriers, have been proposed as candidate materials to enhance battery performance. We performed first-principles calculations on the structural, stability, electrochemical, and ion dynamic properties of Li-adsorbed sulfur-functionalized groups 3B, 4B, 5B, and 6B transition-metal (M)-based MXenes (i.e., M2CS2 with M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W). We performed phonon calculations, which indicated that all of the above M2CS2 MXenes, except for Sc, are dynamically stable at T = 0 K. The ground-state structure of each M2CS2 monolayer depends on the type of M atom. For instance, while sulfur prefers to sit at the FCC site on Ti2CS2, it occupies the HCP site of Cr-based MXene. We determined the Li adsorption configurations at different concentrations using the cluster expansion method. The highest maximum open-circuit voltages were computed for the group 4B element (i.e., Ti, Zr, and Hf)-based M2CS2, which are larger than 2.1 V, while their average voltages are approximately 1 V. The maximum voltage for the group 6B element (i.e., Cr, Mo, W)-based M2CS2 is less than 1 V, and the average voltage is less than 0.71 V. We found that S functionalization is helpful for capacity improvements over the O-terminated MXenes. In this respect, the computed storage gravimetric capacity may reach up to 417.4 mAh/g for Ti2CS2 and 404.5 mAh/g for V2CS2. Ta-, Cr-, Mo-, and W-based M2CS2 MXenes show very low capacities, which are less than 100 mAh/g. The Li surface diffusion energy barriers for all of the considered MXenes are less than 0.22 eV, which is favorable for high charging and discharging rates. Finally, ab initio molecular dynamic simulations performed at 400 K and bond-length analysis with respect to Li concentration verify that selected promising systems are robust against thermally induced perturbations that may induce structural transformations or distortions and undesirable Li release.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000577151900008 Publication Date 2020-09-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 15 Open Access
Notes ; Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118F512 and the Air Force Office of Scientific Research under award no. FA9550-19-1-7048. This work was performed in part at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User. Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118C026. ; Approved Most recent IF: 3.7; 2020 IF: 4.536
Call Number UA @ admin @ c:irua:172693 Serial 6452
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Author Bal, K.M.; Neyts, E.C.
Title Quantifying the impact of vibrational nonequilibrium in plasma catalysis: insights from a molecular dynamics model of dissociative chemisorption Type A1 Journal Article;plasma catalysis
Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys
Volume 54 Issue (down) 39 Pages 394004
Keywords A1 Journal Article;plasma catalysis; vibrational nonequilibrium; dissociative chemisorption; free energy barriers; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract The rate, selectivity and efficiency of plasma-based conversion processes is strongly affected by nonequilibrium phenomena. High concentrations of vibrationally excited molecules are such a plasma-induced effect. It is frequently assumed that vibrationally excited molecules are important in plasma catalysis because their presence lowers the apparent activation energy of dissociative chemisorption reactions and thus increases the conversion rate. A detailed atomic-level understanding of vibrationally stimulated catalytic reactions in the context of plasma catalysis is however lacking. Here, we couple a recently developed statistical model of a plasma-induced vibrational nonequilibrium to molecular dynamics simulations, enhanced sampling methods, and machine learning techniques. We quantify the impact of a vibrational nonequilibrium on the dissociative chemisorption barrier of H2 and CH4 on nickel catalysts over a wide range of vibrational temperatures. We investigate the effect of surface structure and compare the role of different vibrational modes of methane in the dissociation process. For low vibrational temperatures, very high vibrational efficacies are found, and energy in bend vibrations appears to dominate the dissociation of methane. The relative impact of vibrational nonequilibrium is much higher on terrace sites than on surface steps. We then show how our simulations can help to interpret recent experimental results, and suggest new paths to a better understanding of plasma catalysis.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000674464100001 Publication Date 2021-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 12ZI420N ; K M B was funded as a junior postdoctoral fellow of the FWO (Research Foundation—Flanders), Grant 12ZI420N. The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. HLDA calculations were performed with a script provided by G Piccini. Approved Most recent IF: 2.588
Call Number PLASMANT @ plasmant @c:irua:179830 Serial 6808
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Author Engelmann, Y.; van ’t Veer, K.; Gorbanev, Y.; Neyts, E.C.; Schneider, W.F.; Bogaerts, A.
Title Plasma Catalysis for Ammonia Synthesis: A Microkinetic Modeling Study on the Contributions of Eley–Rideal Reactions Type A1 Journal Article;Plasma catalysis
Year 2021 Publication Acs Sustainable Chemistry & Engineering Abbreviated Journal Acs Sustain Chem Eng
Volume 9 Issue (down) 39 Pages 13151-13163
Keywords A1 Journal Article;Plasma catalysis; Eley−Rideal reactions; Volcano plots; Vibrational excitation; Radical reactions; Dielectric barrier discharge; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Plasma catalysis is an emerging new technology for the electrification and downscaling of NH3 synthesis. Increasing attention is being paid to the optimization of plasma catalysis with respect to the plasma conditions, the catalyst material, and their mutual interaction. In this work we use microkinetic models to study how the total conversion process is impacted by the combination of different plasma conditions and transition metal catalysts. We study how plasma-generated radicals and vibrationally excited N2 (present in a dielectric barrier discharge plasma) interact with the catalyst and impact the NH3 turnover frequencies (TOFs). Both filamentary and uniform plasmas are studied, based on plasma chemistry models that provided plasma phase speciation and vibrational distribution functions. The Langmuir−Hinshelwood reaction rate coefficients (i.e., adsorption reactions and subsequent reactions among adsorbates) are determined using conventional scaling relations. An additional set of Eley−Rideal reactions (i.e., direct reactions of plasma radicals with adsorbates) was added and a sensitivity analysis on the assumed reaction rate coefficients was performed. We first show the impact of different vibrational distribution functions on the catalytic dissociation of N2 and subsequent production of NH3, and we gradually include more radical reactions, to illustrate the contribution of these species and their corresponding reaction pathways. Analysis over a large range of catalysts indicates that different transition metals (metals such as Rh, Ni, Pt, and Pd) optimize the NH3TOFs depending on the population of the vibrational levels of N2. At higher concentrations of plasma-generated radicals, the NH3 TOFs become less dependent on the catalyst material, due to radical adsorptions on the more noble catalysts and Eley−Rideal reactions on the less noble catalysts.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000705367800004 Publication Date 2021-10-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.951 Times cited Open Access OpenAccess
Notes Basic Energy Sciences, DE-SC0021107 ; Vlaamse regering, HBC.2019.0108 ; H2020 European Research Council, 810182 ; Methusalem project – University of Antwerp; Excellence of science FWO-FNRS, GoF9618n ; TOP-BOF – University of Antwerp; DOCPRO3 – University of Antwerp; We acknowledge the financial support from the DOC-PRO3, the TOP-BOF, and the Methusalem project of the University of Antwerp, as well as from the European Research Council (ERC) (grant agreement No, 810182−SCOPE ERC Synergy project), under the European Union’s Horizon 2020 research and innovation programme, the Flemish Government through the Moonshot cSBO project P2C (HBC.2019.0108), and the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). Calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), 13162 Approved Most recent IF: 5.951
Call Number PLASMANT @ plasmant @c:irua:182482 Serial 6811
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Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Hieu, N.N.; Ghergherehchi, M.; Feghhi, S.A.H.; Gogova, D.
Title Prediction of two-dimensional bismuth-based chalcogenides Bi₂X₃(X = S, Se, Te) monolayers with orthorhombic structure : a first-principles study Type A1 Journal article
Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys
Volume 54 Issue (down) 39 Pages 395103
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract First-principles calculation is a very powerful tool for discovery and design of novel two-dimensional materials with unique properties needed for the next generation technology. Motivated by the successful preparation of Bi2S3 nanosheets with orthorhombic structure in the last year, herein we gain a deep theoretical insight into the crystal structure, stability, electronic and optical properties of Bi2X3 (X = S, Se, Te) monolayers of orthorhombic phase employing the first-principles calculations. The Molecular dynamics study, phonon spectra, criteria for elastic stability, and cohesive energy results confirm the desired stability of the Bi2X3 monolayers. From S, to Se and Te, the work function value as well as stability of the systems decrease due to the decline in electronegativity. Mechanical properties study reveals that Bi2X3 monolayers have brittle nature. The electronic bandgap values of Bi2S3, Bi2Se3 and Bi2Te3 monolayers are predicted by the HSE06 functional to be 2.05, 1.20 and 1.16 eV, respectively. By assessing the optical properties, it has been found that Bi2X3 monolayers can absorb ultraviolet light. The high in-plane optical anisotropy offers an additional degree of freedom in the design of optical devices. The properties revealed in our survey will stimulate and inspire the search for new approaches of orthorhombic Bi2X3 (X = S, Se, Te) monolayers synthesis and properties manipulation for fabrication of novel nanoelectronic and optoelectronic devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000674464700001 Publication Date 2021-07-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.588
Call Number UA @ admin @ c:irua:179863 Serial 7014
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Author Worobiec, A.; Szalóki, I.; Osán, J.; Maenhaut, W.; Stefaniak, E.A.; Van Grieken, R.
Title Characterisation of Amazon Basin aerosols at the individual particle level by X-ray microanalytical techniques Type A1 Journal article
Year 2007 Publication Atmospheric environment : an international journal Abbreviated Journal
Volume 41 Issue (down) 39 Pages 9217-9230
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000252260400031 Publication Date 2007-08-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1352-2310 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:65964 Serial 7593
Permanent link to this record
 
 
Author Zhou, R.; Zhou, R.; Xian, Y.; Fang, Z.; Lu, X.; Bazaka, K.; Bogaerts, A.; Ostrikov, K.(K.)
Title Plasma-enabled catalyst-free conversion of ethanol to hydrogen gas and carbon dots near room temperature Type A1 Journal article
Year 2020 Publication Chemical Engineering Journal Abbreviated Journal Chem Eng J
Volume 382 Issue (down) 382 Pages 122745
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Selective conversion of bio-renewable ethanol under mild conditions especially at room temperature remains a major challenge for sustainable production of hydrogen and valuable carbon-based materials. In this study, adaptive non-thermal plasma is applied to deliver pulsed energy to rapidly and selectively reform ethanol in the absence of a catalyst. Importantly, the carbon atoms in ethanol that would otherwise be released into the environment in the form of CO or CO2 are effectively captured in the form of carbon dots (CDs). Three modes of non-thermal spark plasma discharges, i.e. single spark mode (SSM), multiple spark mode (MSM) and gliding spark mode (GSM), provide additional flexibility in ethanol reforming by controlling the processes of energy transfer and distribution, thereby affecting the flow rate, gas content, and energy consumption in H-2 production. A favourable combination of low temperature (< 40 degrees C), attractive conversion rate (gas flow rate of similar to 120 mL/min), high hydrogen yield (H-2 content > 90%), low energy consumption (similar to 0.96 kWh/m(3) H-2) and the effective generation of photoluminescent CDs (which are applicable for bioimaging or biolabelling) in the MSM indicate that the proposed strategy may offer a new carbon-negative avenue for comprehensive utilization of alcohols and mitigating the increasingly severe energy and environmental issues.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000503381200200 Publication Date 2019-09-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 15.1 Times cited 20 Open Access
Notes ; ; Approved Most recent IF: 15.1; 2020 IF: 6.216
Call Number UA @ admin @ c:irua:165648 Serial 6318
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Author Angelakeris, M.; Li, Z.A.; Hilgendorff, M.; Simeonidis, K.; Sakellari, D.; Filippousi, M.; Tian, H.; Van Tendeloo, G.; Spasova, M.; Acet, M.; Farle, M.
Title Enhanced biomedical heat-triggered carriers via nanomagnetism tuning in ferrite-based nanoparticles Type A1 Journal article
Year 2015 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater
Volume 381 Issue (down) 381 Pages 179-187
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Biomedical nanomagnetic carriers are getting a higher impact in therapy and diagnosis schemes while their constraints and prerequisites are more and more successfully confronted. Such particles should possess a well-defined size with minimum agglomeration and they should be synthesized in a facile and reproducible high-yield way together with a controllable response to an applied static or dynamic field tailored for the specific application. Here, we attempt to enhance the heating efficiency in magnetic particle hyperthermia treatment through the proper adjustment of the core-shell morphology in ferrite particles, by controlling exchange and dipolar magnetic interactions at the nanoscale. Thus, core-shell nanoparticles with mutual coupling of magnetically hard (CoFe2O4) and soft (MnFe2O4) components are synthesized with facile synthetic controls resulting in uniform size and shell thickness as evidenced by high resolution transmission electron microscopy imaging, excellent crystallinity and size monodispersity. Such a magnetic coupling enables the fine tuning of magnetic anisotropy and magnetic interactions without sparing the good structural, chemical and colloidal stability. Consequently, the magnetic heating efficiency of CoFe2O4. and MnFe2O4 core-shell nanoparticles is distinctively different horn that of their counterparts, even though all these nanocrystals were synthesized under similar conditions. For better understanding of the AC magnetic hyperthermia response and its correlation with magnetic-origin features we study the effect of the volume ratio of magnetic hard and soft phases in the bimagnetic core-shell nanocrystals. Eventually, such particles may be considered as novel heating carriers that under further biomedical functionalization may become adaptable multifunctional heat-triggered nanoplatforms. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000349361100027 Publication Date 2014-12-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.63 Times cited 20 Open Access
Notes 312483 Esteem2; Esteem2_ta Approved Most recent IF: 2.63; 2015 IF: 1.970
Call Number c:irua:125284 c:irua:125284 Serial 1049
Permanent link to this record
 
 
Author Phung, Q.M.; Vancoillie, S.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A.
Title Atomic layer deposition of ruthenium on a titanium nitride surface : a density functional theory study Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 117 Issue (down) 38 Pages 19442-19453
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Because of its excellent properties in nanotechnology applications, atomic layer deposition of ruthenium (Ru) has been the subject of numerous experimental studies. Recently, two different Ru precursors were compared for plasma-enhanced atomic layer deposition (PEALD) of Ru, and their reactivity was found to be different. Inhibition was observed for bis(ethylcyclopentadienyl)ruthenium (Ru(EtCp)(2)), while nearly linear growth behavior was observed for (methylcyclopentadienyl-pyrrolyl)ruthenium (Ru(MeCp)Py). To understand this difference in reactivity, we investigate the adsorption of RuCp, and RuCpPy (i.e., without substituents) on a TiN surface using calculations based on periodic boundary conditions density functional theory (DFT) combined with experiments based on Rutherford backscattering spectroscopy (RBS). The calculations demonstrate that the RuCpPy precursor chemisorbs on the TiN(100) surface while the RuCp2 precursor only physisorbs. We propose a reaction mechanism for the chemisorption of RuCpPy. The area density of the calculated RuCpPy surface species is compared with the experimental values from RBS. The impact of a H-plasma is also investigated. The DFT calculations and experimental results from RBS provide insight into the adsorption processes of the RuCpPy and RuCp2 precursors on the TiN(100) surface.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000330162500022 Publication Date 2013-08-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 6 Open Access
Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:114855 Serial 170
Permanent link to this record
 
 
Author Peeters, F.M.; Vasilopoulos, P.; Shi, J.
Title Density of states and Fermi level of a periodically modulated two-dimensional electron gas Type A1 Journal article
Year 2002 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 14 Issue (down) 38 Pages 8803-8816
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Explicit analytic expressions are obtained for the density of states D(E) and Fermi energy E-F of a two-dimensional electron gas in the presence of a weak and periodic unidirectional electric or magnetic modulation and of a uniform perpendicular magnetic field B. The Landau levels broaden into bands and their width, proportional to the modulation strength, oscillates with B and gives rise to Weiss oscillations in D(E), E-F and the transport coefficients. When both electric and magnetic modulations are present the position of the resulting oscillations depends on the ratio delta between the two modulation strengths. When the modulations are out of phase there is no shift in the position of the oscillations when delta varies and for a particular value of delta the oscillations are suppressed.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000178678400008 Publication Date 2002-09-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 8 Open Access
Notes Approved Most recent IF: 2.649; 2002 IF: 1.775
Call Number UA @ lucian @ c:irua:104140 Serial 640
Permanent link to this record
 
 
Author Macke, S.; Radi, A.; Hamann-Borrero, J.E.; Verna, A.; Bluschke, M.; Brück, S.; Goering, E.; Sutarto, R.; He, F.; Cristiani, G.; Wu, M.; Benckiser, E.; Habermeier, H.-U.; Logvenov, G.; Gauquelin, N.; Botton, G.A; Kajdos, A.P.; Stemmer, S.; Sawatzky,G.A.; Haverkort, M.W.; Keimer, B.; Hinkov, V.
Title Element Specific Monolayer Depth Profiling Type A1 Journal Article
Year 2014 Publication Advanced Materials Abbreviated Journal Adv Mater
Volume 26 Issue (down) 38 Pages 6554-6559
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT)
Abstract The electronic phase behavior and functionality of interfaces and surfaces in complex materials are strongly correlated to chemical composition profiles, stoichiometry and intermixing. Here a novel analysis scheme for resonant X-ray reflectivity maps is introduced to determine such profiles, which is element specific and non-destructive, and which exhibits atomic-layer resolution and a probing depth of hundreds of nanometers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343763200004 Publication Date 2014-08-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1521-4095 ISBN Additional Links
Impact Factor 19.791 Times cited 34 Open Access
Notes Approved Most recent IF: 19.791; 2014 IF: NA
Call Number EMAT @ emat @ Serial 4541
Permanent link to this record
 
 
Author Filez, M.; Poelman, H.; Redekop, E.A.; Galvita, V.V.; Alexopoulos, K.; Meledina, M.; Ramachandran, R.K.; Dendooven, J.; Detavernier, C.; Van Tendeloo, G.; Safonova, O.V.; Nachtegaal, M.; Weckhuysen, B.M.; Marin, G.B.
Title Kinetics of lifetime changes in bimetallic nanocatalysts revealed by quick X-ray absorption spectroscopy Type A1 Journal article
Year 2018 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 57 Issue (down) 38 Pages 12430-12434
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Alloyed metal nanocatalysts are of environmental and economic importance in a plethora of chemical technologies. During the catalyst lifetime, supported alloy nanoparticles undergo dynamic changes which are well-recognized but still poorly understood. High-temperature O-2-H-2 redox cycling was applied to mimic the lifetime changes in model Pt13In9 nanocatalysts, while monitoring the induced changes by insitu quick X-ray absorption spectroscopy with one-second resolution. The different reaction steps involved in repeated Pt13In9 segregation-alloying are identified and kinetically characterized at the single-cycle level. Over longer time scales, sintering phenomena are substantiated and the intraparticle structure is revealed throughout the catalyst lifetime. The insitu time-resolved observation of the dynamic habits of alloyed nanoparticles and their kinetic description can impact catalysis and other fields involving (bi)metallic nanoalloys.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000444225100038 Publication Date 2018-08-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited 4 Open Access OpenAccess
Notes ; M.F. acknowledges a European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement (No. 748563). E.A.R acknowledges the Marie Curie International Incoming Fellowship granted by the European Commission (No. 301703). This work was supported by the Fund for Scientific Research Flanders (G.0209.11), the “Long Term Structural Methusalem Funding by the Flemish Government”. The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7 /2007-2013) under grant agreement No. 312284 (CALIPSO). We thanks the Swiss Light Source for providing beamtime at the SuperXAS beamline. ; Approved Most recent IF: 11.994
Call Number UA @ lucian @ c:irua:153633 Serial 5111
Permanent link to this record
 
 
Author Ren, Z.; Wu, M.; Chen, X.; Li, W.; Li, M.; Wang, F.; Tian, H.; Chen, J.; Xie, Y.; Mai, J.; Li, X.; Lu, X.; Lu, Y.; Zhang, H.; Van Tendeloo, G.; Zhang, Z.; Han, G.
Title Electrostatic force-driven oxide heteroepitaxy for interface control Type A1 Journal article
Year 2018 Publication Advanced materials Abbreviated Journal Adv Mater
Volume 30 Issue (down) 38 Pages 1707017
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Oxide heterostructure interfaces create a platform to induce intriguing electric and magnetic functionalities for possible future devices. A general approach to control growth and interface structure of oxide heterostructures will offer a great opportunity for understanding and manipulating the functionalities. Here, it is reported that an electrostatic force, originating from a polar ferroelectric surface, can be used to drive oxide heteroepitaxy, giving rise to an atomically sharp and coherent interface by using a low-temperature solution method. These heterostructures adopt a fascinating selective growth, and show a saturation thickness and the reconstructed interface with concentrated charges accumulation. The ferroelectric polarization screening, developing from a solid-liquid interface to the heterostructure interface, is decisive for the specific growth. At the interface, a charge transfer and accumulation take place for electrical compensation. The facile approach presented here can be extremely useful for controlling oxide heteroepitaxy and producing intriguing interface functionality via electrostatic engineering.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000444671900002 Publication Date 2018-08-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0935-9648 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 19.791 Times cited 4 Open Access Not_Open_Access
Notes ; Z.H.R., M.J.W., and X.C. contributed equally to this work. This work was financially supported by the National Natural Science Foundation of China (Grant Nos. 51232006, 51472218, 11474249, 61574123, 11374009, and 11234011), the National 973 Program of China (Grant No. 2015CB654901), National Young 1000 Talents Program of China, the Fundamental Research Funds for the Central Universities (Grant No. 2017FZA4008), and the 111 Project under Grant No. B16042. J.M. and X.L. gratefully thank the beam time and technical supports provided by 23A SWAXS beamline at NSRRC, Hsinchu. ; Approved Most recent IF: 19.791
Call Number UA @ lucian @ c:irua:153628 Serial 5098
Permanent link to this record
 
 
Author Abdullah, H.M.; Bahlouli, H.; Peeters, F.M.; Van Duppen, B.
Title Confined states in graphene quantum blisters Type A1 Journal article
Year 2018 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 30 Issue (down) 38 Pages 385301
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Bilayer graphene samples may exhibit regions where the two layers are locally delaminated forming a so-called quanttun blister in the graphene sheet. Electron and hole states can be confined in this graphene quantum blisters (GQB) by applying a global electrostatic bias. We scrutinize the electronic properties of these confined states under the variation of interlayer bias, coupling, and blister's size. The spectra display strong anti-crossings due to the coupling of the confined states on upper and lower layers inside the blister. These spectra are layer localized where the respective confined states reside on either layer or equally distributed. For finite angular momentum, this layer localization can be at the edge of the blister and corresponds to degenerate modes of opposite momenta. Furthermore, the energy levels in GQB exhibit electron-hole symmetry that is sensitive to the electrostatic bias. Finally, we demonstrate that confinement in GQB persists even in the presence of a variation in the interlayer coupling.
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000443135000001 Publication Date 2018-08-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 6 Open Access
Notes ; HMA and HB acknowledge the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of KFUPM under physics research group projects RG1502-1 and RG1502-2. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (BVD). ; Approved Most recent IF: 2.649
Call Number UA @ lucian @ c:irua:153620UA @ admin @ c:irua:153620 Serial 5086
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