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Author Yang, Z.; Zhu, W.; Yu, D.; Bo, Y.; Li, J.
Title Enhanced carbon and nitrogen removal performance of simultaneous anammox and denitrification (SAD) with mannitol addition treating saline wastewater Type A1 Journal article
Year 2019 Publication (up) Journal of chemical technology and biotechnology Abbreviated Journal
Volume 94 Issue 2 Pages 377-388
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract BACKGROUND Simultaneous anammox and denitrification (SAD) can remove carbon and nitrogen. However, its performance is suppressed under saline surroundings. In this work, mannitol was used to enhance a SAD process treating saline wastewater. RESULTS The optimum carbon and nitrogen removal was achieved at 0.2 mmol L-1 mannitol, during which ammonium removal efficiency (ARE), nitrite removal efficiency (NRE) and chemical oxygen demand (COD) removal efficiency were 96.95%, 93.70% and 90.05%, respectively. The maximum ammonium removal rate (ARR), nitrite removal rate (NRR) and the specific anammox activity (SAA) were increased by 25.49%, 55.84% and 33.83% with optimum addition (0.2 mmol L-1 mannitol) respectively. The diameter of sludge was enlarged with the addition of mannitol (<= 0.2 mmol L-1). The Tseng-Wayman model was more suitable to simulate the whole SAD process. The modified logistic model, the modified Boltzman model and the modified Gompertz model were all appropriate to describe nitrogen removal in a typical cycle with the addition of mannitol. CONCLUSION Mannitol was effective in enhancing a SAD process treating saline wastewater, and maximum nitrogen removal was achieved at mannitol = 0.2 mmol L-1. The Tseng-Wayman model satisfactorily predicted the whole SAD process treating saline wastewater with mannitol addition. (c) 2018 Society of Chemical Industry
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000455262100004 Publication Date 2018-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0268-2575; 1097-4660 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:156712 Serial 7911
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Author Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G.
Title Establishing uniform acceptance in force biased Monte Carlo simulations Type A1 Journal article
Year 2012 Publication (up) Journal of chemical theory and computation Abbreviated Journal J Chem Theory Comput
Volume 8 Issue 6 Pages 1865-1869
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Uniform acceptance force biased Monte Carlo (UFMC) simulations have previously been shown to be a powerful tool to simulate atomic scale processes, enabling one to follow the dynamical path during the simulation. In this contribution, we present a simple proof to demonstrate that this uniform acceptance still complies with the condition of detailed balance, on the condition that the characteristic parameter lambda = 1/2 and that the maximum allowed step size is chosen to be sufficiently small. Furthermore, the relation to Metropolis Monte Carlo (MMC) is also established, and it is shown that UFMC reduces to MMC by choosing the characteristic parameter lambda = 0 [Rao, M. et al. Mol. Phys. 1979, 37, 1773]. Finally, a simple example compares the UFMC and MMC methods.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000305092400002 Publication Date 2012-05-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1549-9618;1549-9626; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.245 Times cited 20 Open Access
Notes Approved Most recent IF: 5.245; 2012 IF: 5.389
Call Number UA @ lucian @ c:irua:99090 Serial 1082
Permanent link to this record
 
 
Author Bal, K.M.; Neyts, E.C.
Title Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds Type A1 Journal article
Year 2015 Publication (up) Journal of chemical theory and computation Abbreviated Journal J Chem Theory Comput
Volume 11 Issue 11 Pages 4545-4554
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The hyperdynamics method is a powerful tool to simulate slow processes at the atomic level. However, the construction of an optimal hyperdynamics potential is a task that is far from trivial. Here, we propose a generally applicable implementation of the hyperdynamics algorithm, borrowing two concepts from metadynamics. First, the use of a collective variable (CV) to represent the accelerated dynamics gives the method a very large flexibility and simplicity. Second, a metadynamics procedure can be used to construct a suitable history-dependent bias potential on-the-fly, effectively turning the algorithm into a self-learning accelerated molecular dynamics method. This collective variable-driven hyperdynamics (CVHD) method has a modular design: both the local system properties on which the bias is based, as well as the characteristics of the biasing method itself, can be chosen to match the needs of the considered system. As a result, system-specific details are abstracted from the biasing algorithm itself, making it extremely versatile and transparent. The method is tested on three model systems: diffusion on the Cu(001) surface and nickel-catalyzed methane decomposition, as examples of reactive processes with a bond-length-based CV, and the folding of a long polymer-like chain, using a set of dihedral angles as a CV. Boost factors up to 109, corresponding to a time scale of seconds, could be obtained while still accurately reproducing correct dynamics.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000362921700004 Publication Date 2015-09-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1549-9618 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.245 Times cited 41 Open Access
Notes K.M.B. is funded as Ph.D. fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant No. 11 V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), funded by the Hercules Foundation and the Flemish Government−Department EWI. Approved Most recent IF: 5.245; 2015 IF: 5.498
Call Number c:irua:128183 Serial 3991
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Author Tchakoua, T.; Gerrits, N.; Smeets, E.W.F.; Kroes, G.-J.
Title SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces Type A1 Journal article
Year 2023 Publication (up) Journal of chemical theory and computation Abbreviated Journal
Volume 19 Issue 1 Pages 245-270
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative chemisorption barriers for the reactions of molecules on metal surfaces have received much less attention. The first database called SBH10 and containing 10 entries was recently constructed based on the specific reaction parameter approach to density functional theory (SRP-DFT) and experimental results. We have now constructed a new and improved database (SBH17) containing 17 entries based on SRP-DFT and experiments. For this new SBH17 benchmark study, we have tested three algorithms (high, medium, and light) for calculating barrier heights for dissociative chemisorption on metals, which we have named for the amount of computational effort involved in their use. We test the performance of 14 density functionals at the GGA, GGA+vdW-DF, and meta-GGA rungs. Our results show that, in contrast with the previous SBH10 study where the BEEF-vdW-DF2 functional seemed to be most accurate, the workhorse functional PBE and the MS2 density functional are the most accurate of the GGA and meta-GGA functionals tested. Of the GGA+vdW functionals tested, the SRP32-vdW-DF1 functional is the most accurate. Additionally, we found that the medium algorithm is accurate enough for assessing the performance of the density functionals tested, while it avoids geometry optimizations of minimum barrier geometries for each density functional tested. The medium algorithm does require metal lattice constants and interlayer distances that are optimized separately for each functional. While these are avoided in the light algorithm, this algorithm is found not to give a reliable description of functional performance. The combination of relative ease of use and demonstrated reliability of the medium algorithm will likely pave the way for incorporation of the SBH17 database in larger databases used for testing new density functionals and electronic structure methods.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000903286100001 Publication Date 2022-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1549-9618 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.5; 2023 IF: 5.245
Call Number UA @ admin @ c:irua:193426 Serial 7274
Permanent link to this record
 
 
Author Bal, K.M.
Title Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work Type A1 Journal article
Year 2021 Publication (up) Journal Of Chemical Theory And Computation Abbreviated Journal J Chem Theory Comput
Volume 17 Issue 11 Pages 6766-6774
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the reaction coordinate, and the Jarzynski equality is used to learn an approximate free energy surface from the nonequilibrium work distribution. This free energy estimate is represented in a compact form as an artificial neural network and used as an external bias potential to accelerate rare events in a subsequent molecular dynamics simulation. The final free energy estimate is then obtained by reweighting the equilibrium probability distribution of the reaction coordinate sampled under the influence of the external bias. We apply our reweighted Jarzynski sampling recipe to four processes of varying scales and complexities.spanning chemical reaction in the gas phase, pair association in solution, and droplet nucleation in supersaturated vapor. In all cases, we find reweighted Jarzynski sampling to be a very efficient strategy, resulting in rapid convergence of the free energy to high precision.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000718183600008 Publication Date 2021-10-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1549-9618 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.245 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.245
Call Number UA @ admin @ c:irua:184676 Serial 8479
Permanent link to this record
 
 
Author Lemberge, P.; Deraedt, I.; Janssens, K.; van Espen, P.
Title Quantitative analysis of 16-17th century archaeological glass vessels using PLS regression of EPXMA and μ-XRF data Type A1 Journal article
Year 2000 Publication (up) Journal of chemometrics Abbreviated Journal J Chemometr
Volume 14 Issue Pages 751-763
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000090065100026 Publication Date 2002-09-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0886-9383 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.884 Times cited Open Access
Notes Approved Most recent IF: 1.884; 2000 IF: 2.081
Call Number UA @ admin @ c:irua:32405 Serial 5793
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
Title A critical comparison of MINDO/3, MNDO, AM1 and PM3 for a model problem: carbon clusters C2-C10. An ad hoc reparametrization of MNDO well suited for the accurate prediction of their spectroscopic constants Type A1 Journal article
Year 1991 Publication (up) Journal of computational chemistry Abbreviated Journal J Comput Chem
Volume 12 Issue Pages 52-70
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Corporate Author Thesis
Publisher Wiley Place of Publication New York, N.Y. Editor
Language Wos A1991EQ52200006 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0192-8651; 1096-987x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.589 Times cited 76 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 #
Call Number UA @ lucian @ c:irua:712 Serial 541
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Author Ortiz-Aguayo, D.; De Wael, K.; del Valle, M.
Title Voltammetric sensing using an array of modified SPCE coupled with machine learning strategies for the improved identification of opioids in presence of cutting agents Type A1 Journal article
Year 2021 Publication (up) Journal Of Electroanalytical Chemistry Abbreviated Journal J Electroanal Chem
Volume 902 Issue Pages 115770
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract This work reports the use of modified screen-printed carbon electrodes (SPCEs) for the identification of three drugs of abuse and two habitual cutting agents, caffeine and paracetamol, combining voltammetric sensing and chemometrics. In order to achieve this goal, codeine, heroin and morphine were subjected to Square Wave Voltammetry (SWV) at pH 7, in order to elucidate their electrochemical fingerprints. The optimized SPCEs electrode array, which have a differentiated response for the three oxidizable compounds, was derived from Carbon, Prussian blue, Cobalt (II) phthalocyanine, Copper (II) oxide, Polypyrrole and Palladium nanoparticles ink-modified carbon electrodes. Finally, Principal Component Analysis (PCA) coupled with Silhouette parameter assessment was used to select the most suitable combination of sensors for identification of drugs of abuse in presence of cutting agents.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000714415500006 Publication Date 2021-10-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1572-6657; 1873-2569 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.012 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.012
Call Number UA @ admin @ c:irua:184018 Serial 8745
Permanent link to this record
 
 
Author Bottari, F.; De Wael, K.
Title Electrodeposition of gold nanoparticles on boron doped diamond electrodes for the enhanced reduction of small organic molecules Type A1 Journal article
Year 2017 Publication (up) Journal of electroanalytical chemistry : an international journal devoted to all aspects of electrode kynetics, interfacial structure, properties of electrolytes, colloid and biological electrochemistry. Abbreviated Journal J Electroanal Chem
Volume 801 Issue Pages 521-526
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The performance of gold nanoparticles electrodeposited on boron doped diamond (BDD) electrodes was investigated in respect to the reduction of chloramphenicol (CAP), an antibiotic of the phenicols family. The chosen deposition protocol, three nucleation-growing pulses, shows a remarkable surface coverage, with an even distribution of average-sized gold particles (~ 50 nm), and it was proven capable of generating a three-fold increase in the CAP reduction current. A calibration plot for CAP detection was obtained in the micromolar range (535 μM) with good correlation coefficient (0.9959) and an improved sensitivity of 0.053 μA μM− 1 mm− 2 compared to the electrochemistry of CAP at a bare BDD electrode.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000411847500065 Publication Date 2017-08-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1572-6657 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.012 Times cited 4 Open Access
Notes ; This work was financially supported by the University of Antwerp (BOF) and the Research Foundation Flanders (FWO) (project G037415N). ; Approved Most recent IF: 3.012
Call Number UA @ admin @ c:irua:146372 Serial 5600
Permanent link to this record
 
 
Author Barich, H.; Cánovas, R.; De Wael, K.
Title Electrochemical identification of hazardous phenols and their complex mixtures in real samples using unmodified screen-printed electrodes Type A1 Journal article
Year 2022 Publication (up) Journal of electroanalytical chemistry : an international journal devoted to all aspects of electrode kynetics, interfacial structure, properties of electrolytes, colloid and biological electrochemistry. Abbreviated Journal J Electroanal Chem
Volume 904 Issue Pages 115878
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract The electrochemical behavior of some of the most relevant endocrine-disrupting phenols using unmodified carbon screen-printed electrodes (SPEs) is described for the first time. Experiments were made to assess the electrochemical behavior of phenol (PHOH), pentachlorophenol (PCP), 4-tert octylphenol (OP) and bisphenol A (BPA) and their determination in the most favorable conditions, using voltammetric methods such as cyclic voltammetry (CV), linear sweep voltammetry (LSV) and square wave voltammetry (SWV) in Britton Robinson (BR) buffer. Further, the usefulness of the electrochemical approach was validated with real samples from a local river and was compared to commercial phenols test kit, which is commonly used for on-site screening in industrial streams and wastewaters. Finally, the approach was compared with a lab-bench standard method using real samples, i.e., high-performance liquid chromatography with a photodiode array detector (HPLC-DAD).
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000741151200005 Publication Date 2021-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1572-6657; 1873-2569 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.5
Call Number UA @ admin @ c:irua:184384 Serial 7150
Permanent link to this record
 
 
Author Loenders, B.; Michiels, R.; Bogaerts, A.
Title Is a catalyst always beneficial in plasma catalysis? Insights from the many physical and chemical interactions Type A1 Journal Article
Year 2023 Publication (up) Journal of Energy Chemistry Abbreviated Journal Journal of Energy Chemistry
Volume 85 Issue Pages 501-533
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Plasma-catalytic dry reforming of CH4 (DRM) is promising to convert the greenhouse gasses CH4 and CO2 into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock for the chemical industry. However, while many experiments have been dedicated to plasma-catalytic DRM, there is no consensus yet in literature on the optimal choice of catalyst for targeted products, because the underlying mechanisms are far from understood. Indeed, plasma catalysis is very complex, as it encompasses various chemical and physical interactions between plasma and catalyst, which depend on many parameters. This complexity hampers the comparison of experimental results from different studies, which, in our opinion, is an important bottleneck in the further development of this promising research field. Hence, in this perspective paper, we describe the important physical and chemical effects that should be accounted for when designing plasma-catalytic experiments in general, highlighting the need for standardized experimental setups, as well as careful documentation of packing properties and reaction conditions, to further advance this research field. On the other hand, many parameters also create many windows of opportunity for further optimizing plasma-catalytic systems. Finally, various experiments also reveal the lack of improvement in plasma catalysis compared to plasma-only, specifically for DRM, but the underlying mechanisms are unclear. Therefore, we present our newly developed coupled plasma-surface kinetics model for DRM, to provide more insight in the underlying reasons. Our model illustrates that transition metal catalysts can adversely affect plasmacatalytic DRM, if radicals dominate the plasma-catalyst interactions. Thus, we demonstrate that a good understanding of the plasma-catalyst interactions is crucial to avoiding conditions at which these interactions negatively affect the results, and we provide some recommendations for improvement. For instance, we believe that plasma-catalytic DRM may benefit more from higher reaction temperatures, at which vibrational excitation can enhance the surface reactions.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2023-06-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2095-4956 ISBN Additional Links UA library record
Impact Factor 13.1 Times cited Open Access Not_Open_Access
Notes This research was supported by the FWO-SBO project PlasMa- CatDESIGN (FWO grant ID S001619N), the FWO fellowship of R. Michiels (FWO grant ID 1114921N), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project). 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 Research Foundation – Flanders (FWO) and the Flemish Government. Approved Most recent IF: 13.1; 2023 IF: 2.594
Call Number PLASMANT @ plasmant @c:irua:198159 Serial 8806
Permanent link to this record
 
 
Author Wanten, B.; Vertongen, R.; De Meyer, R.; Bogaerts, A.
Title Plasma-based CO2 conversion: How to correctly analyze the performance? Type A1 journal article
Year 2023 Publication (up) Journal of Energy Chemistry Abbreviated Journal Journal of Energy Chemistry
Volume 86 Issue Pages 180-196
Keywords A1 journal article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001070885000001 Publication Date 2023-07-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2095-4956 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.1 Times cited Open Access Not_Open_Access
Notes We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant ID 110221N), the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant agreement No 810182 – SCOPE ERC Synergy project), and the Methusalem funding of the University of Antwerp. We acknowledge the icons from the graphical abstract made by dDara, geotatah, Spashicons and Freepik on www.flaticon.com. We also thank Stein Maerivoet, Joachim Slaets, Elizabeth Mercer, Colín Ó’Modráin, Joran Van Turnhout, Pepijn Heirman, dr. Yury Gorbanev, dr. Fanny Girard-Sahun and dr. Sean Kelly for the interesting discussions and feedback. Approved Most recent IF: 13.1; 2023 IF: 2.594
Call Number PLASMANT @ plasmant @c:irua:198709 Serial 8816
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Author Salden, A.; Budde, M.; Garcia-Soto, C.A.; Biondo, O.; Barauna, J.; Faedda, M.; Musig, B.; Fromentin, C.; Nguyen-Quang, M.; Philpott, H.; Hasrack, G.; Aceto, D.; Cai, Y.; Jury, F.A.; Bogaerts, A.; Da Costa, P.; Engeln, R.; Galvez, M.E.; Gans, T.; Garcia, T.; Guerra, V.; Henriques, C.; Motak, M.; Navarro, M.V.; Parvulescu, V.I.; Van Rooij, G.; Samojeden, B.; Sobota, A.; Tosi, P.; Tu, X.; Guaitella, O.
Title Meta-analysis of CO₂ conversion, energy efficiency, and other performance data of plasma-catalysis reactors with the open access PIONEER database Type A1 Journal article
Year 2023 Publication (up) Journal of energy chemistry Abbreviated Journal
Volume 86 Issue Pages 318-342
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This paper brings the comparison of performances of CO2 conversion by plasma and plasma-assisted catalysis based on the data collected from literature in this field, organised in an open access online data-base. This tool is open to all users to carry out their own analyses, but also to contributors who wish to add their data to the database in order to improve the relevance of the comparisons made, and ultimately to improve the efficiency of CO2 conversion by plasma-catalysis. The creation of this database and data-base user interface is motivated by the fact that plasma-catalysis is a fast-growing field for all CO2 con-version processes, be it methanation, dry reforming of methane, methanolisation, or others. As a result of this rapid increase, there is a need for a set of standard procedures to rigorously compare performances of different systems. However, this is currently not possible because the fundamental mechanisms of plasma-catalysis are still too poorly understood to define these standard procedures. Fortunately how-ever, the accumulated data within the CO2 plasma-catalysis community has become large enough to war-rant so-called “big data” studies more familiar in the fields of medicine and the social sciences. To enable comparisons between multiple data sets and make future research more effective, this work proposes the first database on CO2 conversion performances by plasma-catalysis open to the whole community. This database has been initiated in the framework of a H2020 European project and is called the “PIONEER DataBase”. The database gathers a large amount of CO2 conversion performance data such as conversion rate, energy efficiency, and selectivity for numerous plasma sources coupled with or without a catalyst. Each data set is associated with metadata describing the gas mixture, the plasma source, the nature of the catalyst, and the form of coupling with the plasma. Beyond the database itself, a data extraction tool with direct visualisation features or advanced filtering functionalities has been developed and is available online to the public. The simple and fast visualisation of the state of the art puts new results into context, identifies literal gaps in data, and consequently points towards promising research routes. More advanced data extraction illustrates the impact that the database can have in the understanding of plasma-catalyst coupling. Lessons learned from the review of a large amount of literature during the setup of the database lead to best practice advice to increase comparability between future CO2 plasma-catalytic studies. Finally, the community is strongly encouraged to contribute to the database not only to increase the visibility of their data but also the relevance of the comparisons allowed by this tool. (c) 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. This is an open access article under the CC BY license (http://creati- vecommons.org/licenses/by/4.0/).
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001083545900001 Publication Date 2023-08-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2095-4956 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.1 Times cited Open Access
Notes Approved Most recent IF: 13.1; 2023 IF: 2.594
Call Number UA @ admin @ c:irua:200416 Serial 9056
Permanent link to this record
 
 
Author Cai, Y.; Mei, D.; Chen, Y.; Bogaerts, A.; Tu, X.
Title Machine learning-driven optimization of plasma-catalytic dry reforming of methane Type A1 Journal Article
Year 2024 Publication (up) Journal of Energy Chemistry Abbreviated Journal Journal of Energy Chemistry
Volume 96 Issue Pages 153-163
Keywords A1 Journal Article; Plasma catalysis Machine learning Process optimization Dry reforming of methane Syngas production; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract This study investigates the dry reformation of methane (DRM) over Ni/Al2O3 catalysts in a dielectric barrier discharge (DBD) non-thermal plasma reactor. A novel hybrid machine learning (ML) model is developed to optimize the plasma-catalytic DRM reaction with limited experimental data. To address the non-linear and complex nature of the plasma-catalytic DRM process, the hybrid ML model integrates three well-established algorithms: regression trees, support vector regression, and artificial neural networks. A genetic algorithm (GA) is then used to optimize the hyperparameters of each algorithm within the hybrid ML model. The ML model achieved excellent agreement with the experimental data, demonstrating its efficacy in accurately predicting and optimizing the DRM process. The model was subsequently used to investigate the impact of various operating parameters on the plasma-catalytic DRM performance. We found that the optimal discharge power (20 W), CO2/CH4 molar ratio (1.5), and Ni loading (7.8 wt%) resulted in the maximum energy yield at a total flow rate of 51 mL/min. Furthermore, we investigated the relative significance of each operating parameter on the performance of the plasmacatalytic DRM process. The results show that the total flow rate had the greatest influence on the conversion, with a significance exceeding 35% for each output, while the Ni loading had the least impact on the overall reaction performance. This hybrid model demonstrates a remarkable ability to extract valuable insights from limited datasets, enabling the development and optimization of more efficient and selective plasma-catalytic chemical processes.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2024-04-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2095-4956 ISBN Additional Links
Impact Factor 13.1 Times cited Open Access
Notes This project received funding from the European Union’s Hori- zon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 813393. Approved Most recent IF: 13.1; 2024 IF: 2.594
Call Number PLASMANT @ plasmant @ Serial 9124
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Author Prituzhalov, V.A.; Ardashnikova, E.I.; Vinogradov, A.A.; Dolgikh, V.A.; Videau, J.-J.; Fargin, E.; Abakumov, A.M.; Tarakina, N.V.; Van Tendeloo, G.
Title New anion-conducting solid solutions Bi1-xTex(O,F)2+\delta (x > 0.5) and glassceramic material on their base Type A1 Journal article
Year 2011 Publication (up) Journal of fluorine chemistry Abbreviated Journal J Fluorine Chem
Volume 132 Issue 12 Pages 1110-1116
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The anion-excess fluorite-like solid solutions with general composition Bi1−xTex(O,F)2+δ (x > 0.5) have been synthesized by a solid state reaction of TeO2, BiF3 and Bi2O3 at 873 K with following quenching. The homogeneity areas and polymorphism of the I ↔ IV Bi1−xTex(O,F)2+δ phases were investigated. The crystal structure of the low temperature IV-Bi1−xTex(O,F)2+δ phase has been solved using electron diffraction and X-ray powder diffraction (a = 11.53051(9) Å, S.G. Ia-3, RI = 0.046, RP = 0.041). Glass formation area in the Bi2O3BiF3TeO2 (10% TiO2) system was investigated. IVBi1−xTex(O,F)2+δ phase starts to crystallize at short-time (0.53 h) annealing of oxyfluoride glasses at temperatures above Tg (600615 K). The ionic conductivity of the crystalline Bi1−xTex(O,F)2+δ phase and corresponding glass-ceramics was investigated. Activation energy of conductivity Ea = 0.41(2) eV for the IV-Bi1−xTex(O,F)2+δ crystalline samples and Ea = 0.73 eV for the glass-ceramic samples were obtained. Investigation of the oxyfluoride samples with a constant cation ratio demonstrates essential influence of excess fluorine anions on the ionic conductivity.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000296936300011 Publication Date 2011-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-1139; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.101 Times cited 2 Open Access
Notes Approved Most recent IF: 2.101; 2011 IF: 2.033
Call Number UA @ lucian @ c:irua:93687 Serial 2305
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Author Vandelannoote, R.; Blommaert, W.; Sadurski, A.; Van 'T Dack, L.; Gijbels, R.; Van Grieken, R.; Bosch, B.; Leleu, M.; Rochon, J.; Sarcia, C.; Sureau, J.F.;
Title Trace-elemental anomalies in surface water near a small lead-zinc mineralization at Menez-Albot (Brittany, France) Type A1 Journal article
Year 1984 Publication (up) Journal of geochemical exploration Abbreviated Journal J Geochem Explor
Volume 20 Issue 1 Pages 33-46
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Sensitive multi-element analysis techniques were applied to water samples collected in the vicinity of a small Zn-Pb-Cu sulfide mineralization in the region of Menez-Albot (Finistère, France). The variation of the trace-element content along a local stream shows the presence of the mineralization, mainly through a simultaneous positive anomaly in solution for a group of about 10 elements (e.g. Ni, Cu, Zn, As, Sb) which are connected with this type of mineralization. The anomaly decreases steeply due to the influx of swamp water rich in Fe, Mn and organic matter. The precipitation barrier is reflected in the stream sediment composition. Contamination from fertilizers was observed in some samples.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1984SF42900004 Publication Date 2003-08-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0375-6742; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.747 Times cited 4 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:111449 Serial 3695
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Author Cuypers, B.; Vermeylen, S.; Hammerschmid, D.; Trashin, S.; Rahemi, V.; Konijnenberg, A.; De Schutter, A.; Cheng, C.-H.C.; Giordano, D.; Verde, C.; De Wael, K.; Sobott, F.; Dewilde, S.; Van Doorslaer, S.
Title Antarctic fish versus human cytoglobins : the same but yet so different Type A1 Journal article
Year 2017 Publication (up) Journal of inorganic biochemistry Abbreviated Journal J Inorg Biochem
Volume 173 Issue Pages 66-78
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The cytoglobins of the Antarctic fish Chaenocephalus aceratus and Dissostichus mawsoni have many features in common with human cytoglobin. These cytoglobins are heme proteins in which the ferric and ferrous forms have a characteristic hexacoordination of the heme iron, i.e. axial ligation of two endogenous histidine residues, as confirmed by electron paramagnetic resonance, resonance Raman and optical absorption spectroscopy. The combined spectroscopic analysis revealed only small variations in the heme-pocket structure, in line with the small variations observed for the redox potential. Nevertheless, some striking differences were also discovered. Resonance Raman spectroscopy showed that the stabilization of an exogenous heme ligand, such as CO, occurs differently in human cytoglobin in comparison with Antarctic fish cytoglobins. Furthermore, while it has been extensively reported that human cytoglobin is essentially monomeric and can form an intramolecular disulfide bridge that can influence the ligand binding kinetics, 3D modeling of the Antarctic fish cytoglobins indicates that the cysteine residues are too far apart to form such an intramolecular bridge. Moreover, gel filtration and mass spectrometry reveal the occurrence of non-covalent multimers (up to pentamers) in the Antarctic fish cytoglobins that are formed at low concentrations. Stabilization of these oligomers by disulfide-bridge formation is possible, but not essential. If intermolecular disulfide bridges are formed, they influence the heme-pocket structure, as is shown by EPR measurements.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000405159600007 Publication Date 2017-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0162-0134 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.348 Times cited 7 Open Access
Notes ; The authors acknowledge the support of the University of Antwerp GOA-BOF funding (28312), FWO funding (G.0687.13) and the Hercules foundation for funding of the Synapt G2 instrument. This study was carried out in the framework of the SCAR program “Antarctic Thresholds – Ecosystem Resilience and Adaptation” (AnT-ERA). It was financially supported by the Italian National Program for Antarctic Research (PNRA). Research of A. De Schutter is funded by a PhD grant of the Agency for Innovation by Science and Technology (121339) (IWT, Belgium). C-H C. Cheng acknowledges funding support from US National Science Foundation Polar Programs (ANT-1142158). ; Approved Most recent IF: 3.348
Call Number UA @ admin @ c:irua:144826 Serial 5474
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Author Antipov, E.V.; Khasanova, N.R.; Pshirkov, J.S.; Putilin, S.N.; Bougerof, C.; Lebedev, O.I.; Van Tendeloo, G.; Baranov, A.; Park, Y.W.
Title The superconducting bismuth-based mixed oxides Type A1 Journal article
Year 2003 Publication (up) Journal of low temperature physics T2 – International Conference on Physics and Chemistry of Molecular and Oxide, Superconductors (MOS2002), AUG 13-18, 2002, HSINCHU, TAIWAN Abbreviated Journal J Low Temp Phys
Volume 131 Issue 3-4 Pages 575-587
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The present paper describes the synthesis, characterization of mixed-valence bismuthates with 3- or 2-dimensional perovskite-like structures and structural criteria that influence superconductivity in these compounds. Single-phase samples of Sr1-xKxBiO3 were prepared for the broad range of K-content: 0.25 less than or equal to x less than or equal to 0.65. For these bismuthates the symmetry of the structure changes from monoclinic to orthorhombic and finally to tetragonal upon increasing the K-content thus resulting in the decrease of the Bi-O distances and reduction of the network distortions. Superconductivity with maximum T-c = 12K exists in the narrow range (x approximate to 0.5 – 0.6) within the stability field of the tetragonal phase (0.33 less than or equal to x less than or equal to 0.65), when the 3-dimensional octahedral framework has close to the ideal perovskite structure arrangement. At the same time compositions with close to optimal Bi-valence (x = 0.33 and 0.43) do not show any sign of superconductivity, probably, due to structural distortions. The layered type (BaK)(3)Bi2O7 and (Ba,K)(2)BiO4 bismuthates belonging to the A(n+1)B(n)O(3n+1) homologous series were investigated Buckling of the (BiO2) layers in the structure of the n = 2 member was revealed The formation of the n=1 bismuthate was found by Electron Microscopy and X-ray powder diffraction studies. Both types of compounds are considered to be possible candidates for new superconducting materials among bismuthates.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000181768000061 Publication Date 2003-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2291; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.3 Times cited 3 Open Access
Notes Approved Most recent IF: 1.3; 2003 IF: 1.171
Call Number UA @ lucian @ c:irua:102803 Serial 3597
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Author Hadermann, J.; Pérez, O.; Créon, N.; Michel, C.; Hervieu, M.
Title The (3 + 2)D structure of oxygen deficient LaSrCuO3.52 Type A1 Journal article
Year 2007 Publication (up) Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 17 Issue 22 Pages 2344-2350
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000247349400020 Publication Date 2007-04-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 7 Open Access
Notes Supergmr:Hprn-Ct-2000-0021 Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:64749 c:irua:64749 Serial 13
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Author Van Tendeloo, G.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V.
Title Advanced electron microscopy and its possibilities to solve complex structures: application to transition metal oxides Type A1 Journal article
Year 2009 Publication (up) Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 19 Issue 18 Pages 2660-2670
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Design and optimization of materials properties can only be performed through a thorough knowledge of the structure of the compound. In this feature article we illustrate the possibilities of advanced electron microscopy in materials science and solid state chemistry. The different techniques are briefly discussed and several examples are given where the structures of complex oxides, often with a modulated structure, have been solved using electron microscopy.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000265740600002 Publication Date 2009-02-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 9 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:77065 Serial 68
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Author Narayanan, V.; Lommens, P.; De Buysser, K.; Vanpoucke, D.E.P.; Huehne, R.; Molina, L.; Van Tendeloo, G.; van der Voort, P.; Van Driessche, I.
Title Aqueous CSD approach for the growth of novel, lattice-tuned LaxCe1-xO\delta epitaxial layers Type A1 Journal article
Year 2012 Publication (up) Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 22 Issue 17 Pages 8476-8483
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Lanthanumcerium oxide (LCO) films were deposited on Ni-5%W substrates by chemical solution deposition (CSD) from water-based precursors. LCO films containing different ratios of lanthanum and cerium ions (from CeO2 to La2Ce2O7) were prepared. The composition of the layers was optimized towards the formation of LCO buffer layers, lattice-matched with the superconducting YBa2Cu3Oy layer, useful for the development of coated conductors. Single, crack-free LCO layers with a thickness of up to 140 nm could be obtained in a single deposition step. The crystallinity and microstructure of these lattice-matched LCO layers were studied by X-ray diffraction techniques, RHEED and SEM. We find that only layers with thickness below 100 nm show a crystalline top surface although both thick and thin layers show good biaxial texture in XRD. On the most promising layers, AFM and (S)TEM were performed to further evaluate their morphology. The overall surface roughness varies between 3.9 and 7.5 nm, while the layers appear much more dense than the frequently used La2Zr2O7 (LZO) systems, showing much smaller nanovoids (12 nm) than the latter system. Their effective buffer layer action was studied using XPS. The thin LCO layers supported the growth of superconducting YBCO deposited using PLD methods.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000302367500044 Publication Date 2012-03-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 24 Open Access
Notes Iap Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:96960 Serial 148
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Author Vernochet, C.; Vannier, R.-N.; Huvé, M.; Pirovano, C.; Nowogrocki, G.; Mairesse, G.; Van Tendeloo, G.
Title Chemical, structural and electrical characterizations in the BIZNVOX family Type A1 Journal article
Year 2000 Publication (up) Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 10 Issue 12 Pages 2811-2817
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000165487800037 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 13 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:54757 Serial 351
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Author Cassiers, K.; Linssen, T.; Aerts, K.; Cool, P.; Lebedev, O.; Van Tendeloo, G.; van Grieken, R.; Vansant, E.F.
Title Controlled formation of amine-templated mesostructured zirconia with remarkably high thermal stability Type A1 Journal article
Year 2003 Publication (up) Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 13 Issue Pages 3033-3039
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000186907500040 Publication Date 2003-11-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 26 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:43522 Serial 502
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Author Trolliard, G.; Benmechta, R.; Mercurio, D.; Lebedev, O.I.
Title The determination of the interface structure between ionocovalent compounds: the general case study of the Al2O3/ZrO2 large mis-fit system Type A1 Journal article
Year 2006 Publication (up) Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 16 Issue 36 Pages 3640-3650
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000240501100009 Publication Date 2006-08-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 6 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:60793 Serial 677
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Author Hamelet, S.; Gibot, P.; Casas-Cabanas, M.; Bonnin, D.; Grey, C.P.; Cabana, J.; Leriche, J.B.; Rodriguez-Carvajal, J.; Courty, M.; Levasseur, S.; Carlach, P.; Van Thournout, M.; Tarascon, J.M.; Masquelier, C.;
Title The effects of moderate thermal treatments under air on LiFePO4-based nano powders Type A1 Journal article
Year 2009 Publication (up) Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 19 Issue 23 Pages 3979-3991
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The thermal behavior under air of LiFePO(4)-based powders was investigated through the combination of several techniques such as temperature-controlled X-ray diffraction, thermogravimetric analysis and Mossbauer and NMR spectroscopies. The reactivity with air at moderate temperatures depends on the particle size and leads to progressive displacement of Fe from the core structure yielding nano-size Fe(2)O(3) and highly defective, oxidized Li(x)Fe(y)PO(4) compositions whose unit-cell volume decreases dramatically when the temperature is raised between 400 and 600 K. The novel LiFePO(4)-like compositions display new electrochemical reactivity when used as positive electrodes in Li batteries. Several redox phenomena between 3.4 V and 2.7 V vs. Li were discovered and followed by in-situ X-ray diffraction, which revealed two distinct solid solution domains associated with highly anisotropic variations of the unit-cell constants.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000266615800024 Publication Date 2009-05-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 93 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:94582 Serial 867
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Author Hamon, A.-L.; Verbeeck, J.; Schryvers, D.; Benedikt, J.; van den Sanden, R.M.C.M.
Title ELNES study of carbon K-edge spectra of plasma deposited carbon films Type A1 Journal article
Year 2004 Publication (up) Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 14 Issue Pages 2030-2035
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Electron energy loss spectroscopy was used to investigate the bonding of plasma deposited carbon films. The experimental conditions include the use of a specific collection angle for which the shape of the spectra is free of the orientation dependency usually encountered in graphite due to its anisotropic structure. The first quantification process of the energy loss near-edge structure was performed by a standard fit of the collected spectrum, corrected for background and multiple scattering, with three Gaussian functions followed by a comparison with the graphite spectrum obtained under equivalent experimental conditions. In a second approach a fitting model directly incorporating the background subtraction and multiple scattering removal was applied. The final numerical results are interpreted in view of the deposition conditions of the films and the actual fitting procedure with the related choice of parameters.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000222312500017 Publication Date 2004-06-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.626 Times cited 61 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:48782UA @ admin @ c:irua:48782 Serial 1025
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Author Maignan, A.; Martin, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B.
Title Ferromagnetism and magnetoresistance in monolayered manganites Ca2-xLnxMnO4 Type A1 Journal article
Year 1998 Publication (up) Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 8 Issue 11 Pages 2411-2416
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000076974900019 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 30 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:25684 Serial 1182
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Author Goffin, A.-L.; Duquesne, E.; Raquez, J.-M.; Miltner, H.E.; Ke, X.; Alexandre, M.; Van Tendeloo, G.; van Mele, B.; Dubois, P.
Title From polyester grafting onto POSS nanocage by ring-opening polymerization to high performance polyester/POSS nanocomposites Type A1 Journal article
Year 2010 Publication (up) Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 20 Issue 42 Pages 9415-9422
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Polyester-grafted polyhedral oligomeric silsesquioxane (POSS) nanohybrids selectively produced by ring-opening polymerization of ε-caprolactone and L,L-lactide (A.-L. Goffin, E. Duquesne, S. Moins, M. Alexandre, Ph. Dubois, Eur. Polym. Journal, 2007, 43, 4103) were studied as masterbatches by melt-blending within their corresponding commercial polymeric matrices, i.e., poly(ε-caprolactone) (PCL) and poly(L,L-lactide) (PLA). For the sake of comparison, neat POSS nanoparticles were also dispersed in PCL and PLA. The objective was to prepare aliphatic polyester-based nanocomposites with enhanced crystallization behavior, and therefore, enhanced thermo-mechanical properties. Wide-angle X-ray scattering and transmission electron microscopy attested for the dispersion of individualized POSS nanoparticles in the resulting nanocomposite materials only when the polyester-grafted POSS nanohybrid was used as a masterbatch. The large impact of such finely dispersed (grafted) nanoparticles on the crystallization behavior for the corresponding polyester matrices was noticed, as evidenced by differential scanning calorimetry analysis. Indeed, well-dispersed POSS nanoparticles acted as efficient nucleating sites, significantly increasing the crystallinity degree of both PCL and PLA matrices. As a result, a positive impact on thermo-mechanical properties was highlighted by dynamic mechanical thermal analysis.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000283264500017 Publication Date 2010-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 42 Open Access
Notes Fwo; Iap-6 Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:85784 Serial 1284
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Author Huvé, M.; Vannier, R.-N.; Nowogrocki, G.; Mairesse, G.; Van Tendeloo, G.
Title From Bi4V2O11 to Bi4V2O10.66: the VV-VIV transformation in the Aurovillius-type framework Type A1 Journal article
Year 1996 Publication (up) Journal of materials chemistry Abbreviated Journal
Volume 6 Issue Pages 1339-1345
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos A1996VC50700012 Publication Date 2004-04-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 63 Open Access
Notes Approved PHYSICS, MULTIDISCIPLINARY 6/79 Q1 #
Call Number UA @ lucian @ c:irua:17847 Serial 1287
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Author Müller, M.; Lebedev, O.I.; Fischer, R.A.
Title Gas-phase loading of [Zn4O(btb)2] (MOF-177) with organometallic CVD-precursors: inclusion compounds of the type [LnM]a@MOF-177 and the formation of Cu and Pd nanoparticles inside MOF-177 Type A1 Journal article
Year 2008 Publication (up) Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 18 Issue 43 Pages 5274-5281
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The highly porous and desolvated (activated) coordination polymer [Zn4O(btb)2] (btb = benzene-1,3,5-tribenzoate; MOF-177) was loaded with the organometallic compounds [Cp2Fe], [Cp*2Zn], [Cu(OCHMeCH2NMe2)2], [CpCuL] (L = PMe3, CNtBu) and [CpPd(3-C3H5)] via solvent-free adsorption from the gas-phase. The inclusion compounds of the type [LnM]a@MOF-177, where [LnM] indicates the respective compound and the parameter a denotes the number of molecules per formula unit of the MOF-177, were characterised by elemental analysis, FT-IR, solid-state NMR spectroscopy and by powder X-ray diffraction (PXRD). Remarkably high effective loadings of up to 11 molecules [Cp2Fe] and 10 molecules [CpPd(3-C3H5)] per cavity were determined. The analytical data prove that the host lattice and the guest molecules interact only by weak van-der-Waals forces without any significant change of the framework or the chemical nature of the included molecules. Cu nanoparticles showing the typical surface plasmon resonance at 580 nm and Pd nanoparticles of about 2.6 nm in size were formed inside the cavities of MOF-177 by the thermally activated hydrogenolysis of the inclusion compounds [CpCuCNtBu]2@MOF-177 and by photolysis of [CpPd(3-C3H5)]10@MOF-177 in an inert atmosphere (Ar). PXRD, FT-IR and NMR studies revealed that the MOF-177 matrix remained unchanged during the decomposition process of the precursors. N2 adsorption studies of the obtained materials Cu@MOF-177 (e.g. 10.6 wt.% Cu, 2309 m2 g-1) and Pd@MOF-177 (e.g. 32.5 wt.%, 1063 m2 g-1) reveal high remaining specific surface areas (Langmuir model).
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000260487300015 Publication Date 2008-10-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 65 Open Access
Notes Esteem 026019 Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:75699 Serial 1318
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