Home | << 1 2 3 4 5 6 7 8 9 10 11 12 13 14 >> |
Records | |||||
---|---|---|---|---|---|
Author | Kirchner, E.; van der Lans, I.; Ligterink, F.; Geldof, M.; Gaibor, A.N.P.; Hendriks, E.; Janssens, K.; Delaney, J. | ||||
Title | Digitally reconstructing Van Gogh's Field with Irises near Arles. Part 2: Pigment concentration maps | Type | A1 Journal article | ||
Year | 2018 | Publication | Color research and application | Abbreviated Journal | Color Res Appl |
Volume | 43 | Issue | 2 | Pages | 158-176 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Colors in many paintings of great art historical value have changed over time, due to the combined effects of natural ageing, accumulated surface grime, and materials added during later conservation treatments. The physical restoration of the colors in such paintings is not possible. This article describes one part of work done to digitally restore the colors of Van Gogh's painting Field with Irises near Arles, dating from May 1888. We have used multispectral reflectance data to estimate absorption K and backscattering S parameters of Kubelka-Munk 2-constant theory. This was done for all 13 pigments known to have been used by Van Gogh in this painting, and based on this the concentration maps for each of these pigments were calculated. We validated the calculated concentration maps in several ways. For some pigments, we were able to predict spots on the painting where the pigment is expected to occur in unmixed form based on visual examination. For several other pigments, the concentration maps could be shown to agree with XRF data. Finally, for some other pigments the concentration maps were supported by additional evidence from microscopic examinations, remarks in Van Gogh's letters and from early color reproductions. For the 1.7 million pixels for which multispectral data is available, the average color difference between the calculated and measured spectral reflectance curves is CIEDE2000 = 1.05. This further confirms that the Kubelka-Munk calculations are well suited to describe the variety of spectral reflectance on the painting. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000424763100003 | Publication Date | 2017-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0361-2317 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 0.798 | Times cited | 4 | Open Access | |
Notes | ; Netherlands Organisation for Scientific Research, Grant/Award Number: 323.54.004; GOA project SolarPaint of the University of Antwerp Research Council and from the Fund Baillet Latour (Brussels) ; | Approved | Most recent IF: 0.798 | ||
Call Number | UA @ admin @ c:irua:149231 | Serial | 5576 | ||
Permanent link to this record | |||||
Author | Vanschoenwinkel, J.; Van Passel, S. | ||||
Title | Climate response of rainfed versus irrigated farms: the bias of farm heterogeneity in irrigation | Type | A1 Journal article | ||
Year | 2018 | Publication | Climatic Change | Abbreviated Journal | Climatic Change |
Volume | 147 | Issue | 1-2 | Pages | 225-234 |
Keywords | A1 Journal article; Engineering Management (ENM) | ||||
Abstract | Researchers who do not take into account farm heterogeneity in implementing specific climate change adaptation options might significantly bias their findings. To prove this point, this paper focusses on irrigation as an adaptation option to climate change and highlights the fact that there is no such thing as “irrigation.” Instead, different farms consider water management options across a spectrum that ranges from purely rainfed farms to purely irrigated farms with in between the extreme practices such as supplemental irrigation, water conservation practices, and different irrigation techniques. Accounting for such differences is necessary, yet difficult due to a lack of farm-specific data on water management and irrigation. This paper uses unique Farm Accountancy Data Network data of Western European farmers on the proportion of farmland that each farm irrigates. Unlike previous work, this allows taking into account some within-irrigation heterogeneity instead of simply categorizing farms as being “irrigated.” We estimate and compare climate response models based on the Ricardian cross-sectional method for a large range of irrigation categories. The results give insights into how the farm irrigation climate response can be significantly different depending on how irrigation is defined. This proves that ignoring within-adaptation differences when comparing non-adaptation with adaptation (in this case, rainfed versus irrigated agriculture) might lead to biased conclusions with regard to effectiveness of adaptation strategies. We therefore argue that it might be more relevant to understand at which point and under which circumstances irrigated agriculture is more or less beneficial than rainfed agriculture. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000425959700017 | Publication Date | 2018-01-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0165-0009 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles | |
Impact Factor | 3.496 | Times cited | 1 | Open Access | |
Notes | ; This paper was supported by the Horizon 2020 project SUFISA (Grant Agreement No. 635577). ; | Approved | Most recent IF: 3.496 | ||
Call Number | UA @ admin @ c:irua:149895 | Serial | 6166 | ||
Permanent link to this record | |||||
Author | Kuppens, T.; Rafiaani, P.; Vanreppelen, K.; Yperman, J.; Carleer, R.; Schreurs, S.; Thewys, T.; Van Passel, S. | ||||
Title | Combining Monte Carlo simulations and experimental design for incorporating risk and uncertainty in investment decisions for cleantech : a fast pyrolysis case study | Type | A1 Journal article | ||
Year | 2018 | Publication | Clean Technologies And Environmental Policy | Abbreviated Journal | Clean Technol Envir |
Volume | 20 | Issue | 6 | Pages | 1195-1206 |
Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
Abstract | The value of phytoextracting crops (plants cultivated for soil remediation) depends on the profitability of the sequential investment in a conversion technology aimed at the economic valorization of the plants. However, the net present value (NPV) of an investment in such an innovative technology is risky due to technical and economic uncertainties. Therefore, decision makers want to dispose of information about the probability of a positive NPV, the largest possible loss, and the crucial economic and technical parameters influencing the NPV. This paper maps the total uncertainty in the NPV of an investment in fast pyrolysis for the production of combined heat and power from willow cultivated for phytoextraction in the Belgian Campine. The probability of a positive NPV has been calculated by performing Monte Carlo simulations. Information about possible losses has been provided by means of experimental design. Both methods are then combined in order to identify the key economic and technical parameters influencing the project's profitability. It appears that the case study has a chance of 87% of generating a positive NPV with an expected value of 3 million euro (MEUR), while worst-case scenarios predict possible losses of 7 MEUR. The amount of arable land, the biomass yield, the purchase price of the crop, the policy support, and the product yield of fast pyrolysis are identified as the most influential parameters. It is concluded that both methods, i.e., Monte Carlo simulations and experimental design, provide decision makers with complementary information with regard to economic risk. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000439453500007 | Publication Date | 2018-05-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1618-954x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles | |
Impact Factor | 3.331 | Times cited | 5 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.331 | ||
Call Number | UA @ admin @ c:irua:152385 | Serial | 6169 | ||
Permanent link to this record | |||||
Author | Monico, L.; Chieli, A.; De Meyer, S.; Cotte, M.; de Nolf, W.; Falkenberg, G.; Janssens, K.; Romani, A.; Miliani, C. | ||||
Title | Role of the relative humidity and the Cd/Zn stoichiometry in the photooxidation process of cadmium yellows (CdS/Cd1-xZnxS) in oil paintings | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry: a European journal | Abbreviated Journal | Chem-Eur J |
Volume | 24 | Issue | 45 | Pages | 11584-11593 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Cadmium yellows (CdYs) refer to a family of cadmium sulfide pigments, which have been widely used by artists since the late 19th century. Despite being considered stable, they are suffering from discoloration in iconic paintings, such as Joy of Life by Matisse, Flowers in a blue vase by Van Gogh, and The Scream by Munch, most likely due to the formation of CdSO4 center dot nH(2)O. The driving factors of the CdYs degradation and how these affect the overall process are still unknown. Here, we study a series of oil mock-up paints made of CdYs of different stoichiometry (CdS/Cd0.76Zn0.24S) and crystalline structure (hexagonal/ cubic) before and after aging at variable relative humidity under exposure to light and in darkness. Synchrotron radiation-based X-ray methods combined with UV-Vis and FTIR spectroscopy show that: 1) Cd0.76Zn0.24S is more susceptible to photooxidation than CdS; both compounds can act as photocatalysts for the oil oxidation. 2) The photooxidation of CdS/Cd0.76Zn0.24S to CdSO4 center dot nH(2)O is triggered by moisture. 3) The nature of alteration products depends on the aging conditions and the Cd/Zn stoichiometry. Based on our findings, we propose a scheme for the mechanism of the photocorrosion process and the photocatalytic activity of CdY pigments in the oil binder. Overall, our results form a reliable basis for understanding the degradation of CdS-based paints in artworks and contribute towards developing better ways of preserving them for future generations. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000441126900012 | Publication Date | 2018-06-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0947-6539 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.317 | Times cited | 5 | Open Access | |
Notes | ; The research was financially supported by the European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (Grant agreement n. 654028) and by the BOF-GOA Project SOLARPaint (University of Antwerp Research Council). For the beamtime grants received, we thank the ESRF (experiments n. HG64, HG95 and in-house beamtimes) and PETRA III-DESY (experiments: I-20130221 EC, I-20160126 EC). We are also grateful to Dr. Jan Garrevoet for his contribution to set up the P06-beamline at PETRA III-DESY. ; | Approved | Most recent IF: 5.317 | ||
Call Number | UA @ admin @ c:irua:153733 | Serial | 5821 | ||
Permanent link to this record | |||||
Author | Xiao, S.; Lu, Y.; Xiao, B.-Y.; Wu, L.; Song, J.-P.; Xiao, Y.-X.; Wu, S.-M.; Hu, J.; Wang, Y.; Chang, G.-G.; Tian, G.; Lenaerts, S.; Janiak, C.; Yang, X.-Y.; Su, B.-L. | ||||
Title | Hierarchically dual-mesoporous TiO2 microspheres for enhanced photocatalytic properties and lithium storage | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry: a European journal | Abbreviated Journal | Chem-Eur J |
Volume | 24 | Issue | 50 | Pages | 13246-13252 |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Hierarchically dual‐mesoporous TiO2 microspheres have been synthesized via a solvothermal process in the presence of 1‐butyl‐3‐methylmidazolium tetrafluoroborate ([BMIm][BF4]) and diethylenetriamine (DETA) as co‐templates. Secondary mesostructured defects in the hierarchical TiO2 microspheres produce the oxygen vacancies, which not only significantly enhance the photocatalytic activity on degrading methyl blue (over 1.7 times to P25) and acetone (over 2.9 times of P25), but which also are beneficial for lithium storage. Moreover, we propose a mechanism to obtain a better understanding of the role of dual mesoporosity of TiO2 microspheres for enhancing the molecular diffusion, ion transportation and electron transformation. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000443804100025 | Publication Date | 2018-06-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0947-6539 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.317 | Times cited | 6 | Open Access | |
Notes | ; This work is supported by the National Key R&D Program of China (2017YFC1103800), the Program for Changjiang Scholars and Innovative Research Team in University (IRT 15R52), the National Natural Science Foundation of China (U1662134, U1663225, 51472190, 51611530672, 51503166, 21706199, 21711530705), the International Science & Technology Cooperation Program of China (2015DFE52870), the Natural Science Foundation of Hubei Province (2016CFA033, 2017CFB487), the Open Project Program of State Key Laboratory of Petroleum Pollution Control (PPC2016007), and the CNPC Research Institute of Safety and Environmental Technology. ; | Approved | Most recent IF: 5.317 | ||
Call Number | UA @ admin @ c:irua:151812 | Serial | 5957 | ||
Permanent link to this record | |||||
Author | Wei, H.; Hu, Z.-Y.; Xiao, Y.-X.; Tian, G.; Ying, J.; Van Tendeloo, G.; Janiak, C.; Yang, X.-Y.; Su, B.-L. | ||||
Title | Control of the interfacial wettability to synthesize highly dispersed PtPd nanocrystals for efficient oxygen reduction reaction | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry: an Asian journal | Abbreviated Journal | Chem-Asian J |
Volume | 13 | Issue | 9 | Pages | 1119-1123 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Highly dispersed PtPd bimetallic nanocrystals with enhanced catalytic activity and stability were prepared by adjusting the interfacial wettability of the reaction solution on a commercial carbon support. This approach holds great promise for the development of high-performance and low-cost catalysts for practical applications. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000431625200006 | Publication Date | 2018-03-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1861-4728; 1861-471x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.083 | Times cited | 3 | Open Access | Not_Open_Access |
Notes | ; This work supported by National Key R&D Program of China (2017YFC1103800), PCSIRT (IRT15R52), NSFC (U1663225, U1662134, 51472190, 51611530672, 21711530705, 51503166), ISTCP (2015DFE52870), HPNSF (2016CFA033, 2017CFB487), and Open Project Program of State Key Laboratory of Petroleum Pollution Control (Grant No. PPC2016007), CNPC Research Institute of Safety and Environmental Technology, SKLPPC. ; | Approved | Most recent IF: 4.083 | ||
Call Number | UA @ lucian @ c:irua:151525 | Serial | 5018 | ||
Permanent link to this record | |||||
Author | Dong, Y.; Chen, S.-Y.; Lu, Y.; Xiao, Y.-X.; Hu, J.; Wu, S.-M.; Deng, Z.; Tian, G.; Chang, G.-G.; Li, J.; Lenaerts, S.; Janiak, C.; Yang, X.-Y.; Su, B.-L. | ||||
Title | Hierarchical MoS2@TiO2 heterojunctions for enhanced photocatalytic performance and electrocatalytic hydrogen evolution | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry: an Asian journal | Abbreviated Journal | Chem-Asian J |
Volume | 13 | Issue | 12 | Pages | 1609-1615 |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Hierarchical MoS2@TiO2 heterojunctions were synthesized through a one-step hydrothermal method by using protonic titanate nanosheets as the precursor. The TiO2 nanosheets prevent the aggregation of MoS2 and promote the carrier transfer efficiency, and thus enhance the photocatalytic and electrocatalytic activity of the nanostructured MoS2. The obtained MoS2@TiO2 has significantly enhanced photocatalytic activity in the degradation of rhodamineB (over 5.2times compared with pure MoS2) and acetone (over 2.8times compared with pure MoS2). MoS2@TiO2 is also beneficial for electrocatalytic hydrogen evolution (26times compared with pure MoS2, based on the cathodic current density). This work offers a promising way to prevent the self-aggregation of MoS2 and provides a new insight for the design of heterojunctions for materials with lattice mismatches. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000435773300011 | Publication Date | 2018-04-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1861-4728; 1861-471x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.083 | Times cited | 22 | Open Access | |
Notes | ; This work was supported by the National Key R&D Program of China (2017YFC1103800), PCSIRT (IRT15R52), NSFC (U1662134, U1663225, 51472190, 51611530672, 51503166, 21706199, 21711530705), ISTCP (2015DFE52870), HPNSF (2016CFA033, 2017CFB487), and SKLPPC (PPC2016007). ; | Approved | Most recent IF: 4.083 | ||
Call Number | UA @ admin @ c:irua:151971 | Serial | 5956 | ||
Permanent link to this record | |||||
Author | Berends, A.C.; van der Stam, W.; Hofmann, J.P.; Bladt, E.; Meeldijk, J.D.; Bals, S.; de Donega, C.M. | ||||
Title | Interplay between surface chemistry, precursor reactivity, and temperature determines outcome of ZnS shelling reactions on CuInS2 nanocrystals | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 30 | Issue | 30 | Pages | 2400-2413 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | ZnS shelling of I-III-VI(2 )nanocrystals (NCs) invariably leads to blue-shifts in both the absorption and photoluminescence spectra. These observations imply that the outcome of ZnS shelling reactions on I-III-VI2 colloidal NCs results from a complex interplay between several processes taking place in solution, at the surface of, and within the seed NC. However, a fundamental understanding of the factors determining the balance between these different processes is still lacking. In this work, we address this need by investigating the impact of precursor reactivity, reaction temperature, and surface chemistry (due to the washing procedure) on the outcome of ZnS shelling reactions on CuInS2 NCs using a seeded growth approach. We demonstrate that low reaction temperatures (150 degrees C) favor etching, cation exchange, and alloying regardless of the precursors used. Heteroepitaxial shell overgrowth becomes the dominant process only if reactive S- and Zn-precursors (S-ODE/OLAM and ZnI2 ) and high reaction temperatures (210 degrees C) are used, although a certain degree of heterointerfacial alloying still occurs. Remarkably, the presence of residual acetate at the surface of CIS seed NCs washed with ethanol is shown to facilitate heteroepitaxial shell overgrowth, yielding for the first time CIS/ZnS core/shell NCs displaying red-shifted absorption spectra, in agreement with the spectral shifts expected for a type-I band alignment. The insights provided by this work pave the way toward the design of improved synthesis strategies to CIS/ZnS core/shell and alloy NCs with tailored elemental distribution profiles, allowing precise tuning of the optoelectronic properties of the resulting materials. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | American Chemical Society | Place of Publication | Washington, D.C | Editor | |
Language | Wos | 000430023700027 | Publication Date | 2018-03-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 85 | Open Access | OpenAccess |
Notes | ; Annelies van der Bok is gratefully acknowledged for performing the ICP measurements. A.C.B. and C.d.M.D. acknowledge financial support from the division of Chemical Sciences (CW) of The Netherlands Organization for Scientific Research (NWO) under Grant No. ECHO.712.014.001. S.B. and E.B. acknowledge financial support from European Research Council (ERC Starting Grant No. 335078-COLOURATOMS). ; Ecas_Sara | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ lucian @ c:irua:150772UA @ admin @ c:irua:150772 | Serial | 4972 | ||
Permanent link to this record | |||||
Author | Pearce, P.E.; Rousse, G.; Karakulina, O.M.; Hadermann, J.; Van Tendeloo, G.; Foix, D.; Fauth, F.; Abakumov, A.M.; Tarascon, J.-M. | ||||
Title | β-Na1.7IrO3: A Tridimensional Na-Ion Insertion Material with a Redox Active Oxygen Network | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 30 | Issue | 10 | Pages | 3285-3293 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The revival of the Na-ion battery concept has prompted an intense search for new high capacity Na-based positive electrodes. Recently, emphasis has been placed on manipulating Na-based layered compounds to trigger the participation of the anionic network. We further explored this direction and show the feasibility of achieving anionic-redox activity in three-dimensional Na-based compounds. A new 3D β-Na1.7IrO3 phase was synthesized in a two-step process, which involves first the electrochemical removal of Li from β-Li2IrO3 to produce β-IrO3, which is subsequently reduced by electrochemical Na insertion. We show that β-Na1.7IrO3 can reversibly uptake nearly 1.3 Na+ per formula unit through an uneven voltage profile characterized by the presence of four plateaus related to structural transitions. Surprisingly, the β-Na1.7IrO3 phase was found to be stable up to 600 °C, while it could not be directly synthesized via conventional synthetic methods. Although these Na-based iridate phases are of limited practical interest, they help to understand how introducing highly polarizable guest ions (Na+) into host rocksalt-derived oxide structures affects the anionic redox mechanism. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000433403800014 | Publication Date | 2018-05-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 6 | Open Access | OpenAccess |
Notes | The authors thank A. Perez for fruitful discussions and his valuable help in synchrotron XRD experiment and Matthieu Courty for carrying out the DSC measurements. The authors also greatly thank Matthieu Saubanère and Marie-Liesse Doublet for valuable discussions on theoretical aspects of this work. This work is based on experiments performed on the Materials Science and Powder Diffraction Beamline at ALBA synchrotron (Proposal 2016091814), Cerdanyola del Vallès, E- 08290 Barcelona, Spain. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant- Project 670116-ARPEMA. G.R. acknowledges funding from ANR DeliRedox. O.M.K., J.H., and A.M.A. are grateful to FWO Vlaanderen for financial support under Grant G040116N. | Approved | Most recent IF: 9.466 | ||
Call Number | EMAT @ emat @c:irua:152048 | Serial | 4996 | ||
Permanent link to this record | |||||
Author | Peters, J.L.; Altantzis, T.; Lobato, I.; Jazi, M.A.; van Overbeek, C.; Bals, S.; Vanmaekelbergh, D.; Sinai, S.B. | ||||
Title | Mono- and Multilayer Silicene-Type Honeycomb Lattices by Oriented Attachment of PbSe Nanocrystals: Synthesis, Structural Characterization, and Analysis of the Disorder | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 30 | Issue | 30 | Pages | 4831-4837 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Nanocrystal (NC) solids are commonly prepared from nonpolar organic NC suspensions. In many cases, the capping on the NC surface is preserved and forms a barrier between the NCs. More recently, superstructures with crystalline connections between the NCs, implying the removal of the capping, have been reported, too. Here, we present large-scale uniform superstructures of attached PbSe NCs with a silicene-type honeycomb geometry, resulting from solvent evaporation under nearly reversible conditions. We also prepared multilayered silicene honeycomb structures by using larger amounts of PbSe NCs. We show that the two-dimensional silicene superstructures can be seen as a crystallographic slice from a 3-D simple cubic structure. We describe the disorder in the silicene lattices in terms of the nanocrystals position and their atomic alignment. The silicene honeycomb sheets are large enough to be used in transistors and optoelectronic devices. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000440105500042 | Publication Date | 2018-07-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 33 | Open Access | OpenAccess |
Notes | The authors acknowledge funding from the European Commission (Grant EUSMI 731019). S.B. acknowledges funding from the European Research Council (Grant 335078 COLOURATOM). T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO). The authors acknowledge financial support from the European Commission under the Horizon 2020 Programme by means of the Grant Agreement No. 731019 EUSMI. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ecas_sara | Approved | Most recent IF: 9.466 | ||
Call Number | EMAT @ emat @c:irua:152997UA @ admin @ c:irua:152997 | Serial | 5011 | ||
Permanent link to this record | |||||
Author | Grimaud, A.; Iadecola, A.; Batuk, D.; Saubanere, M.; Abakumov, A.M.; Freeland, J.W.; Cabana, J.; Li, H.; Doublet, M.-L.; Rousse, G.; Tarascon, J.-M. | ||||
Title | Chemical activity of the peroxide/oxide redox couple : case study of Ba5Ru2O11 in aqueous and organic solvents | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 30 | Issue | 11 | Pages | 3882-3893 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The finding that triggering the redox activity of oxygen ions within the lattice of transition metal oxides can boost the performances of materials used in energy storage and conversion devices such as Li-ion batteries or oxygen evolution electrocatalysts has recently spurred intensive and innovative research in the field of energy. While experimental and theoretical efforts have been critical in understanding the role of oxygen nonbonding states in the redox activity of oxygen ions, a clear picture of the redox chemistry of the oxygen species formed upon this oxidation process is still missing. This can be, in part, explained by the complexity in stabilizing and studying these species once electrochemically formed. In this work, we alleviate this difficulty by studying the phase Ba5Ru2O11, which contains peroxide O-2(2-) groups, as oxygen evolution reaction electrocatalyst and Li-ion battery material. Combining physical characterization and electrochemical measurements, we demonstrate that peroxide groups can easily be oxidized at relatively low potential, leading to the formation of gaseous dioxygen and to the instability of the oxide. Furthermore, we demonstrate that, owing to the stabilization at high energy of peroxide, the high-lying energy of the empty sigma* antibonding O-O states limits the reversibility of the electrochemical reactions when the O-2(2-)/O2- redox couple is used as redox center for Li-ion battery materials or as OER redox active sites. Overall, this work suggests that the formation of true peroxide O-2(2-) states are detrimental for transition metal oxides used as OER catalysts and Li-ion battery materials. Rather, oxygen species with O-O bond order lower than 1 would be preferred for these applications. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | American Chemical Society | Place of Publication | Washington, D.C | Editor | |
Language | Wos | 000435416600038 | Publication Date | 2018-05-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 2 | Open Access | Not_Open_Access |
Notes | ; We thank S. Belin of the ROCK beamline (financed by the French National Research Agency (ANR) as a part of the “Investissements d'Avenir” program, reference: ANR-10-EQPX-45; proposal no. 20160095) of synchrotron SOLEIL for her assistance during XAS measurements. Authors would also like to thank V. Nassif for her assistance on the D1B beamline. A.G, G.R, and J.-M.T. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC Grant Project 670116-ARPEMA. ; | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ lucian @ c:irua:151980 | Serial | 5016 | ||
Permanent link to this record | |||||
Author | Quintanilla, M.; Zhang, Y.; Liz-Marzan, L.M. | ||||
Title | Subtissue plasmonic heating monitored with CaF2:Nd3+,Y3+ nanothermometers in the second biological window | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 30 | Issue | 8 | Pages | 2819-2828 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Measuring temperature in biological environments is an ambitious goal toward supporting medical treatment and diagnosis. Minimally invasive techniques based on optical probes require very specific properties that are difficult to combine within a single material. These include high chemical stability in aqueous environments, optical signal stability, low toxicity, high emission intensity, and, essential, working at wavelengths within the biological transparency windows so as to minimize invasiveness while maximizing penetration depth. We propose CaF2:Nd3+,Y3+ as a candidate for thermometry based on an intraband ratiometric approach, fully working within the biological windows (excitation at 808 nm; emission around 1050 nm). We optimized the thermal probes through the addition of Y3+ as a dopant to improve both emission intensity and thermal sensitivity. To define the conditions under which the proposed technique can be applied, gold nanorods were used to optically generate subtissue hot areas, while the resulting temperature variation was monitored with the new nanothermometers. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | American Chemical Society | Place of Publication | Washington, D.C | Editor | |
Language | Wos | 000431088400038 | Publication Date | 2018-03-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 28 | Open Access | Not_Open_Access |
Notes | ; The authors would like to thank Dr. Guillermo Gonzalez Rubio for the kind support with the synthesis of gold nanorods. M.Q and L.M.L.-M. acknowledge financial support from the European Commission under the Marie Sklodowska-Curie program (H2020-MSCA-IF-2014_659021 – PHELLINI). Y.Z. acknowledges financial support from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 665501 through a FWO [PEGASUS]^2 Marie Sklodowska-Curie fellowship (12U4917N). ; | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ lucian @ c:irua:151576 | Serial | 5042 | ||
Permanent link to this record | |||||
Author | Tessier, M.D.; Baquero, E.A.; Dupont, D.; Grigel, V.; Bladt, E.; Bals, S.; Coppel, Y.; Hens, Z.; Nayral, C.; Delpech, F. | ||||
Title | Interfacial oxidation and photoluminescence of InP-Based core/shell quantum dots | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 30 | Issue | 30 | Pages | 6877-6883 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Indium phosphide colloidal quantum dots (QDs) are emerging as an efficient cadmium-free alternative for optoelectronic applications. Recently, syntheses based on easy-to-implement aminophosphine precursors have been developed. We show by solid-state nuclear magnetic resonance spectroscopy that this new approach allows oxide-free indium phosphide core or core/shell quantum dots to be made. Importantly, the oxide-free core/shell interface does not help in achieving higher luminescence efficiencies. We demonstrate that in the case of InP/ZnS and InP/ZnSe QDs, a more pronounced oxidation concurs with a higher photoluminescence efficiency. This study suggests that a II-VI shell on a III-V core generates an interface prone to defects. The most efficient InP/ZnS or InP/ZnSe QDs are therefore made with an oxide buffer layer between the core and the shell: it passivates these interface defects but also results in a somewhat broader emission line width. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | American Chemical Society | Place of Publication | Washington, D.C | Editor | |
Language | Wos | 000447237800031 | Publication Date | 2018-09-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 74 | Open Access | OpenAccess |
Notes | ; The authors thank L. Biadala and C. Delerue for fruitful discussion. Z.H. acknowledges support by the European Commission via the Marie-Sklodowska Curie action Phonsi (H2020-MSCA-ITN-642656), by Research Foundation Flanders (Project 17006602), and by Ghent University (GOA No. 01G01513). Z.H., M.D.T., and D.D. acknowledge the Strategisch Initiatief Materialen in Vlaanderen of Agentschap Innoveren en Ondernemen (SIM VLAIO), vzw (SBO-QDOCCO, ICON-QUALIDI). This work was supported by the Universite Paul Sabatier, the Region Midi-Pyrenees, the CNRS, the Institut National des Sciences Appliquees of Toulouse, and the Agence Nationale pour la Recherche (Project ANR-13-IS10-0004-01). E.A.B. is grateful to Marie Curie Actions and Campus France for a PRESTIGE postdoc fellowship (FP7 /2007-2013) under REA Grant Agreement PCOFUND-GA-2013-609102. E.B. acknowledges financial support from Research Foundation Flanders (FWO). ; | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ lucian @ c:irua:154732UA @ admin @ c:irua:154732 | Serial | 5109 | ||
Permanent link to this record | |||||
Author | Morozov, V.; Deyneko, D.; Basoyich, O.; Khaikina, E.G.; Spassky, D.; Morozov, A.; Chernyshev, V.; Abakumov, A.; Hadermann, J. | ||||
Title | Incommensurately modulated structures and luminescence properties of the AgxSm(2-x)/3WO4 (x=0.286, 0.2) scheelites as thermographic phosphors | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 30 | Issue | 14 | Pages | 4788-4798 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Ag+ for Sm3+ substitution in the scheelite-type AgxSm(2-x)/3 square(1-2x)/3WO4 tungstates has been investigated for its influence on the cation-vacancy ordering and luminescence properties. A solid state method was used to synthesize the x = 0.286 and x = 0.2 compounds, which exhibited (3 + 1)D incommensurately modulated structures in the transmission electron microscopy study. Their structures were refined using high resolution synchrotron powder X-ray diffraction data. Under near-ultraviolet light, both compounds show the characteristic emission lines for (4)G(5/2) -> H-6(J) (J = 5/2, 7/2, 9/2, and 11/2) transitions of the Sm3+ ions in the range 550-720 nm, with the J = 9/2 transition at the similar to 648 nm region being dominant for all photoluminescence spectra. The intensities of the (4)G(5/2) -> H-6(9/2) and (4)G(5/2) -> H-6(7/2) bands have different temperature dependencies. The emission intensity ratios (R) for these bands vary reproducibly with temperature, allowing the use of these materials as thermographic phosphors. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | American Chemical Society | Place of Publication | Washington, D.C | Editor | |
Language | Wos | 000440105500037 | Publication Date | 2018-06-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 2 | Open Access | Not_Open_Access |
Notes | ; This research was supported by FWO (Project G039211N), Flanders Research Foundation. The research was carried out within the state assignment of FASO of Russia (Themes No. 0339-2016-0007). V.M. thanks the Russian Foundation for Basic Research (Grant 18-03-00611) for financial support. E.G.K. and O.B. acknowledge financial support from the Russian Foundation for Basic Research (Grant 16-03-00510). D.D. thanks the Foundation of the Russian Federation President (Grant MK-3502.2018.5) for financial support. We are grateful to the ESRF for granting the beamtime. V.C. is grateful for the financial support of the Russian Ministry of Science and Education (Project No. RFMEFI61616X0069). We are grateful to the ESRF for the access to ID22 station (experiment MA-3313). ; | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ lucian @ c:irua:153156 | Serial | 5107 | ||
Permanent link to this record | |||||
Author | De Sloovere, D.; Safari, M.; Elen, K.; D'Haen, J.; Drozhzhin, O.A.; Abakumov, A.M.; Simenas, M.; Banys, J.; Bekaert, J.; Partoens, B.; Van Bael, M.K.; Hardy, A. | ||||
Title | Reduced Na2+xTi4O9 composite : a durable anode for sodium-ion batteries | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 30 | Issue | 23 | Pages | 8521-8527 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Sodium-ion batteries (SIBs) are potential cost-effective solutions for stationary energy storage applications. Unavailability of suitable anode materials, however, is one of the important barriers to the maturity of SIBs. Here, we report a Na2+xTi4O9/C composite as a promising anode candidate for SIBs with high capacity and cycling stability. This anode is characterized by a capacity of 124 mAh g(-1) (plus 11 mAh g(-1) contributed by carbon black), an average discharge potential of 0.9 V vs Na/Na+, a good rate capability and a high stability (89% capacity retention after 250 cycles at a rate of 1 degrees C). The mechanisms of sodium insertion/deinsertion and of the formation of Na2+xTi4O9/C are investigated with the aid of various ex/in situ characterization techniques. The in situ formed carbon is necessary for the formation of the reduced sodium titanate. This synthesis method may enable the convenient synthesis of other composites of crystalline phases with amorphous carbon. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000453489300014 | Publication Date | 2018-11-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 7 | Open Access | |
Notes | ; This work was supported by the FWO (Research Foundation Flanders, project G040116). O.A.D. and A.M.A. are grateful to the Russian Science Foundation for financial support (Grant 17-73-30006). The authors acknowledge Pieter Samyn for Raman spectroscopy, Fulya Ulu Okudur for preliminary TEM, Bart Ruttens for XRD, Hilde Pellaers for SEM, Tom Haeldermans for elemental analysis, and Karen Leyssen and Vera Meynen for physisorption measurements. ; | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ admin @ c:irua:156235 | Serial | 5227 | ||
Permanent link to this record | |||||
Author | Kuckova, S.; Hamidi-Asl, E.; Matulkova, I.; Hynek, R.; De Wael, K.; Sanyova, J.; Janssens, K. | ||||
Title | Technoques and applications of Surface-Enhanced Raman Scattering Spectroscopy (SERSS) focused on cultural heritage | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemické listy | Abbreviated Journal | Chem Listy |
Volume | 112 | Issue | 5 | Pages | 312-316 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | The review is devoted to a modern method of vibrational spectroscopy – surface enhanced Raman spectroscopy Its principle and some of its special variants (imunnoSERS and TERS (Tip-Enhanced Raman Spectroscopy)) are described m a simpinified manner Wide application possibilities are demonstrated on selected examples from its application m culturinl heritage. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | |||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0009-2770; 1213-7103 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 0.387 | Times cited | Open Access | ||
Notes | ; ; | Approved | Most recent IF: 0.387 | ||
Call Number | UA @ admin @ c:irua:151616 | Serial | 5869 | ||
Permanent link to this record | |||||
Author | Wang, W.; Kim, H.-H.; Van Laer, K.; Bogaerts, A. | ||||
Title | Streamer propagation in a packed bed plasma reactor for plasma catalysis applications | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemical engineering journal | Abbreviated Journal | Chem Eng J |
Volume | 334 | Issue | Pages | 2467-2479 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A packed bed dielectric barrier discharge (DBD) is widely used for plasma catalysis applications, but the exact plasma characteristics in between the packing beads are far from understood. Therefore, we study here these plasma characteristics by means of fluid modelling and experimental observations using ICCD imaging, for packing materials with different dielectric constants. Our study reveals that a packed bed DBD reactor in dry air at atmospheric pressure may show three types of discharges, i.e. positive restrikes, filamentary microdischarges, which can also be localized between two packing beads, and surface discharges (so-called surface ionization waves). Restrikes between the dielectric surfaces result in the formation of filamentary microdischarges, while surface charging creates electric field components parallel to the dielectric surfaces, leading to the formation of surface discharges. A transition in discharge mode occurs from surface discharges to local filamentary discharges between the packing beads when the dielectric constant of the packing rises from 5 to 1000. This may have implications for the efficiency of plasma catalytic gas treatment, because the catalyst activation may be limited by constraining the discharge to the contact points of the beads. The production of reactive species occurs most in the positive restrikes, the surface discharges and the local microdischarges in between the beads, and is less significant in the longer filamentary microdischarges. The faster streamer propagation and discharge development with higher dielectric constant of the packing beads leads to a faster production of reactive species. This study is of great interest for plasma catalysis, where packing beads with different dielectric constants are often used as supports for the catalytic materials. It allows us to better understand how different packing materials can influence the performance of packed bed plasma reactors for environmental applications. |
||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000418533400246 | Publication Date | 2017-11-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1385-8947 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.216 | Times cited | 36 | Open Access | Not_Open_Access: Available from 10.01.2020 |
Notes | We acknowledge financial support from the Fund for Scientific Research Flanders (FWO) (grant nos G.0217.14 N, G.0254.14 N and G.0383.16 N), the TOP-BOF project of the University of Antwerp, the European Marie Skłodowska-Curie Individual Fellowship “GlidArc” within Horizon2020 (Grant No. 657304) and the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders). This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions – Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 6.216 | ||
Call Number | PLASMANT @ plasmant @c:irua:147864 | Serial | 4800 | ||
Permanent link to this record | |||||
Author | Uytdenhouwen, Y.; Van Alphen, S.; Michielsen, I.; Meynen, V.; Cool, P.; Bogaerts, A. | ||||
Title | A packed-bed DBD micro plasma reactor for CO 2 dissociation: Does size matter? | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemical engineering journal | Abbreviated Journal | Chem Eng J |
Volume | 348 | Issue | Pages | 557-568 | |
Keywords | A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | DBD plasma reactors are of great interest for environmental and energy applications, such as CO2 conversion, but they suffer from limited conversion and especially energy efficiency. The introduction of packing materials has been a popular subject of investigation in order to increase the reactor performance. Reducing the discharge gap of the reactor below one millimetre can enhance the plasma performance as well. In this work, we combine both effects and use a packed-bed DBD micro plasma reactor to investigate the influence of gap size reduction, in combination with a packing material, on the conversion and efficiency of CO2 dissociation. Packing materials used in this work were SiO2, ZrO2, and Al2O3 spheres as well as glass wool. The results are compared to a regular size reactor as a benchmark. Reducing the discharge gap can greatly increase the CO2 conversion, although at a lower energy efficiency. Adding a packing material further increases the conversion when keeping a constant residence time, but is greatly dependent on the material composition, gap and sphere size used. Maximum conversions of 50–55% are obtained for very long residence times (30 s and higher) in an empty reactor or with certain packing material combinations, suggesting a balance in CO2 dissociation and recombination reactions. The maximum energy efficiency achieved is 4.3%, but this is for the regular sized reactor at a short residence time (7.5 s). Electrical characterization is performed to reveal some trends in the electrical behaviour of the plasma upon reduction of the discharge gap and addition of a packing material. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000434467000055 | Publication Date | 2018-05-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1385-8947 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.216 | Times cited | 22 | Open Access | Not_Open_Access: Available from 03.05.2020 |
Notes | We acknowledge financial support from the European Fund for Regional Development through the cross-border collaborative Interreg V program Flanders-the Netherlands (project EnOp), the Fund for Scientific Research (FWO; Grant Number: G.0254.14N) and an IOF-SBO (SynCO2Chem) project from the University of Antwerp. | Approved | Most recent IF: 6.216 | ||
Call Number | PLASMANT @ plasmant @c:irua:151238 | Serial | 4956 | ||
Permanent link to this record | |||||
Author | Zhang, H.; Wang, W.; Li, X.; Han, L.; Yan, M.; Zhong, Y.; Tu, X. | ||||
Title | Plasma activation of methane for hydrogen production in a N2 rotating gliding arc warm plasma : a chemical kinetics study | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemical engineering journal | Abbreviated Journal | Chem Eng J |
Volume | 345 | Issue | 345 | Pages | 67-78 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this work, a chemical kinetics study on methane activation for hydrogen production in a warm plasma, i.e., N-2 rotating gliding arc (RGA), was performed for the first time to get new insights into the underlying reaction mechanisms and pathways. A zero-dimensional chemical kinetics model was developed, which showed a good agreement with the experimental results in terms of the conversion of CH4 and product selectivities, allowing us to get a better understanding of the relative significance of various important species and their related reactions to the formation and loss of CH4, H-2, and C2H2 etc. An overall reaction scheme was obtained to provide a realistic picture of the plasma chemistry. The results reveal that the electrons and excited nitrogen species (mainly N-2(A)) play a dominant role in the initial dissociation of CH4. However, the H atom induced reaction CH4+ H -> CH3+ H-2, which has an enhanced reaction rate due to the high gas temperature (over 1200 K), is the major contributor to both the conversion of CH4 and H-2 production, with its relative contributions of > 90% and > 85%, respectively, when only considering the forward reactions. The coexistence and interaction of thermochemical and plasma chemical processes in the rotating gliding arc warm plasma significantly enhance the process performance. The formation of C-2 hydrocarbons follows a nearly one-way path of C2H6 -> C2H4 -> C2H2, explaining why the selectivities of C-2 products decreased in the order of C2H2 > C2H4 > C2H6. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Elsevier Sequoia | Place of Publication | Lausanne | Editor | |
Language | Wos | 000430696500008 | Publication Date | 2018-03-24 | |
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 | 6.216 | Times cited | 25 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 6.216 | |||
Call Number | UA @ lucian @ c:irua:151450 | Serial | 5036 | ||
Permanent link to this record | |||||
Author | Li, K.; Liu, J.-L.; Li, X.-S.; Lian, H.-Y.; Zhu, X.; Bogaerts, A.; Zhu, A.-M. | ||||
Title | Novel power-to-syngas concept for plasma catalytic reforming coupled with water electrolysis | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemical engineering journal | Abbreviated Journal | Chem Eng J |
Volume | 353 | Issue | Pages | 297-304 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We propose a novel Power to Synthesis Gas (P2SG) approach, composed of two high-efficiency and renewable electricity-driven units, i.e., plasma catalytic reforming (PCR) and water electrolysis (WE), to produce high quality syngas from CH4, CO2 and H2O. As WE technology is already commercial, we mainly focus on the PCR unit, consisting of gliding arc plasma and Ni-based catalyst, for oxidative dry reforming of methane. An energy efficiency of 78.9% and energy cost of 1.0 kWh/Nm3 at a CH4 conversion of 99% and a CO2 conversion of 79% are obtained. Considering an energy efficiency of 80% for WE, the P2SG system yields an overall energy efficiency of 79.3% and energy cost of 1.8 kWh/Nm3. High-quality syngas is produced without the need for posttreatment units, featuring the ideal stoichiometric number of 2, with concentration of 94.6 vol%, and a desired CO2 fraction of 1.9 vol% for methanol synthesis. The PCR unit has the advantage of fast response to adapting to fluctuation of renewable electricity, avoiding local hot spots in the catalyst bed and coking, in contrast to conventional catalytic processes. Moreover, pure O2 from the WE unit is directly utilized by the PCR unit for oxidative dry reforming of methane, and thus, no air separation unit, like in conventional processes, is required. This work demonstrates the viability of the P2SG approach for large-scale energy storage of renewable electricity via electricity-to-fuel conversion. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000441527900029 | Publication Date | 2018-07-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1385-8947 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.216 | Times cited | 7 | Open Access | OpenAccess |
Notes | This project is supported by the National Natural Science Foundation of China (11705019, 11475041), the Fundamental Research Funds for the Central Universities (DUT16QY49, DUT16LK16) and the Fund for Scientific Research Flanders (FWO; grant G.0383.16N). | Approved | Most recent IF: 6.216 | ||
Call Number | PLASMANT @ plasmant @c:irua:153059 | Serial | 5049 | ||
Permanent link to this record | |||||
Author | van Walsem, J.; Roegiers, J.; Modde, B.; Lenaerts, S.; Denys, S. | ||||
Title | Determination of intrinsic kinetic parameters in photocatalytic multi-tube reactors by combining the NTUm-method with radiation field modelling | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemical engineering journal | Abbreviated Journal | Chem Eng J |
Volume | 354 | Issue | 354 | Pages | 1042-1049 |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | In this work, we propose an adapted Number of Transfer Units (NTUm)-method as an effective tool to determine the Langmuir-Hinshelwood kinetic parameters for a photocatalytic multi-tube reactor. The Langmuir-Hinshelwood rate constant kLH and the Langmuir adsorption constant KL were determined from several experiments under different UV-irradiance conditions, resulting in irradiance depending values for kLH. In order to determine a unique, intrinsic empirical constant k0, valid for all irradiation conditions, we coupled the adapted NTUm-method with a radiation field model to predict UV-irradiance distribution inside the reactor. The final set of kinetic parameters were derived using a Generalized Reduced Gradient (GRG) nonlinear solving method in Matlab which minimizes the differences between model and experimental reactor outlet concentrations of acetaldehyde for various photocatalytic experiments under varying operating conditions, including inlet concentration, flow rate and UV-irradiance. An excellent agreement of the intrinsic empirical constant k0, derived from the coupled NTUm-radiation field model and an earlier published CFD approach was found, emphasizing its validity and reliability. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000445413900099 | Publication Date | 2018-08-03 | |
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 | 6.216 | Times cited | 2 | Open Access | |
Notes | ; J.V.W. acknowledges the Agentschap Innoveren & Ondernemen for a PhD fellowship. ; | Approved | Most recent IF: 6.216 | ||
Call Number | UA @ admin @ c:irua:154845 | Serial | 5940 | ||
Permanent link to this record | |||||
Author | Gao, M.; Zhang, Y.; Wang, H.; Guo, B.; Zhang, Q.; Bogaerts, A. | ||||
Title | Mode Transition of Filaments in Packed-Bed Dielectric Barrier Discharges | Type | A1 Journal article | ||
Year | 2018 | Publication | Catalysts | Abbreviated Journal | Catalysts |
Volume | 8 | Issue | 6 | Pages | 248 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We investigated the mode transition from volume to surface discharge in a packed bed dielectric barrier discharge reactor by a two-dimensional particle-in-cell/Monte Carlo collision method. The calculations are performed at atmospheric pressure for various driving voltages and for gas mixtures with different N2 and O2 compositions. Our results reveal that both a change of the driving voltage and gas mixture can induce mode transition. Upon increasing voltage, a mode transition from hybrid (volume+surface) discharge to pure surface discharge occurs, because the charged species can escape much more easily to the beads and charge the bead surface due to the strong electric field at high driving voltage. This significant surface charging will further enhance the tangential component of the electric field along the dielectric bead surface, yielding surface ionization waves (SIWs). The SIWs will give rise to a high concentration of reactive species on the surface, and thus possibly enhance the surface activity of the beads, which might be of interest for plasma catalysis. Indeed, electron impact excitation and ionization mainly take place near the bead surface. In addition, the propagation speed of SIWs becomes faster with increasing N2 content in the gas mixture, and slower with increasing O2 content, due to the loss of electrons by attachment to O2 molecules. Indeed, the negative O-2 ion density produced by electron impact attachment is much higher than the electron and positive O+2 ion density. The different ionization rates between N2 and O2 gases will create different amounts of electrons and ions on the dielectric bead surface, which might also have effects in plasma catalysis. |
||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000436128600027 | Publication Date | 2018-06-15 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2073-4344 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.082 | Times cited | 7 | Open Access | OpenAccess |
Notes | The authors are very grateful to Wei Jiang for the useful discussions on the particle-incell/ Monte-Carlo collision model. | Approved | Most recent IF: 3.082 | ||
Call Number | PLASMANT @ plasmant @c:irua:152171 | Serial | 4991 | ||
Permanent link to this record | |||||
Author | Aussems, D.U.B.; Bal, K.M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. | ||||
Title | Mechanisms of elementary hydrogen ion-surface interactions during multilayer graphene etching at high surface temperature as a function of flux | Type | A1 Journal article | ||
Year | 2018 | Publication | Carbon | Abbreviated Journal | Carbon |
Volume | 137 | Issue | Pages | 527-532 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In order to optimize the plasma-synthesis and modification process of carbon nanomaterials for applications such as nanoelectronics and energy storage, a deeper understanding of fundamental hydrogengraphite/graphene interactions is required. Atomistic simulations by Molecular Dynamics have proven to be indispensable to illuminate these phenomena. However, severe time-scale limitations restrict them to very fast processes such as reflection, while slow thermal processes such as surface diffusion and molecular desorption are commonly inaccessible. In this work, we could however reach these thermal processes for the first time at time-scales and surface temperatures (1000 K) similar to high-flux plasma exposure experiments during the simulation of multilayer graphene etching by 5 eV H ions. This was achieved by applying the Collective Variable-Driven Hyperdynamics biasing technique, which extended the inter-impact time over a range of six orders of magnitude, down to a more realistic ion-flux of 1023m2s1. The results show that this not only causes a strong shift from predominant ion-to thermally induced interactions, but also significantly affects the hydrogen uptake and surface evolution. This study thus elucidates H ion-graphite/graphene interaction mechanisms and stresses the importance of including long time-scales in atomistic simulations at high surface temperatures to understand the dynamics of the ion-surface system. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000440661700056 | Publication Date | 2018-05-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.337 | Times cited | 4 | Open Access | Not_Open_Access: Available from 25.05.2020 |
Notes | DIFFER is part of the Netherlands Organisation for Scientific Research (NWO). K.M.B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientific Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government e department EWI. | Approved | Most recent IF: 6.337 | ||
Call Number | PLASMANT @ plasmant @c:irua:152172 | Serial | 4993 | ||
Permanent link to this record | |||||
Author | Privat-Maldonado, A.; Gorbanev, Y.; Dewilde, S.; Smits, E.; Bogaerts, A. | ||||
Title | Reduction of Human Glioblastoma Spheroids Using Cold Atmospheric Plasma: The Combined Effect of Short- and Long-Lived Reactive Species | Type | A1 Journal article | ||
Year | 2018 | Publication | Cancers | Abbreviated Journal | Cancers |
Volume | 10 | Issue | 11 | Pages | 394 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Cold atmospheric plasma (CAP) is a promising technology against multiple types of cancer. However, the current findings on the effect of CAP on two-dimensional glioblastoma cultures do not consider the role of the tumour microenvironment. The aim of this study was to determine the ability of CAP to reduce and control glioblastoma spheroid tumours in vitro . Three-dimensional glioblastoma spheroid tumours (U87-Red, U251-Red) were consecutively treated directly and indirectly with a CAP using dry He, He + 5% H 2 O or He + 20% H 2 O. The cytotoxicity and spheroid shrinkage were monitored using live imaging. The reactive oxygen and nitrogen species produced in phosphate buffered saline (PBS) were measured by electron paramagnetic resonance (EPR) and colourimetry. Cell migration was also assessed. Our results demonstrate that consecutive CAP treatments (He + 20% H 2 O) substantially shrank U87-Red spheroids and to a lesser degree, U251-Red spheroids. The cytotoxic effect was due to the short- and long-lived species delivered by CAP: they inhibited spheroid growth, reduced cell migration and decreased proliferation in CAP-treated spheroids. Direct treatments were more effective than indirect treatments, suggesting the importance of CAP-generated, short-lived species for the growth inhibition and cell cytotoxicity of solid glioblastoma tumours. We concluded that CAP treatment can effectively reduce glioblastoma tumour size and restrict cell migration, thus demonstrating the potential of CAP therapies for glioblastoma. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000451307700001 | Publication Date | 2018-10-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2072-6694 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | OpenAccess | ||
Notes | The authors thank Paul Cos (Department of Pharmaceutical Sciences, University of Antwerp) for providing EPR equipment and Christophe Hermans for his help with the immunohistochemical experiments. | Approved | Most recent IF: NA | ||
Call Number | PLASMANT @ plasmant @c:irua:154871 | Serial | 5065 | ||
Permanent link to this record | |||||
Author | Thomassen, G.; Van Dael, M.; Van Passel, S. | ||||
Title | The potential of microalgae biorefineries in Belgium and India : an environmental techno-economic assessment | Type | A1 Journal article | ||
Year | 2018 | Publication | Bioresource Technology | Abbreviated Journal | Bioresource Technol |
Volume | 267 | Issue | 267 | Pages | 271-280 |
Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
Abstract | This study performs an environmental techno-economic assessment (ETEA) for multiple microalgae biorefinery concepts at different locations, those being Belgium and India. The ETEA methodology, which integrates aspects of the TEA and LCA methodologies and provides a clear framework for an integrated assessment model, has been proposed and discussed. The scenario in India has a higher profitability with a NPV of (sic)40 million over a period of 10 years, while the environmental impact in Belgium is lower. The inclusion of a medium recycling step provides the best scenario from both perspectives. The crucial parameters for feasibility are the beta-caroteneprice and content, the upstream environmental impact of electricity and the maximum biomass concentration during cultivation. The identification of these parameters by the ETEA guides future technology developments and shortens the time-to-market for microalgal-based biorefineries. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000441876100034 | Publication Date | 2018-07-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0960-8524 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles | |
Impact Factor | 5.651 | Times cited | 8 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 5.651 | ||
Call Number | UA @ admin @ c:irua:153599 | Serial | 6270 | ||
Permanent link to this record | |||||
Author | Wuyts, K.; Hofman, J.; van Wittenberghe, S.; Nuyts, G.; De Wael, K.; Samson, R. | ||||
Title | A new opportunity for biomagnetic monitoring of particulate pollution in an urban environment using tree branches | Type | A1 Journal article | ||
Year | 2018 | Publication | Atmospheric environment : an international journal | Abbreviated Journal | Atmos Environ |
Volume | 190 | Issue | 190 | Pages | 177-187 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Environmental magnetism, and the magnetic leaf signal in particular, is amply investigated and applied as proxy for atmospheric particulate matter pollution. In this study, we investigated the magnetic signal of annual segments of tree branches, and the composition of particles deposited hereon. Branches are, contrary to leaves of deciduous trees, available during leaf-off seasons and exposed to air pollution year-round. We examined the intra- and inter-tree variation in saturation isothermal remanent magnetization (SIRM) of branch internodes of London plane (Platanus x aeerifolia Willd.) trees in an urban environment. The branch SIRM, normalized by surface area, ranged from 18 to 650 x 10(-6) angstrom; the median amounted to 106 x 10(-6) angstrom. Most of the branch magnetic signal was attributed to the epidermis or bark, and the presence of metal-containing particles on the branch surfaces was confirmed by SEM-EDX. The location of the trees and the height, the depth in the crown and the age of the branches significantly influenced the branch SIRM. The median branch SIRM was up to 135% higher near a busy ring road than in quiet environments (city park and quiet street canyon), and was linked to the presence of Fe-rich particles with co-occurrence of trace metals such as Cr, Cu, Zn and Mn on the branch surface. Within the tree crowns, the branch SIRM generally decreased with increasing height, and was 22% higher in the interior than at the periphery of the crowns. Within the branches, the SIRM increased with each year of exposure, but did not relate to year-to-year variation in particle concentrations due to branch surface changes (epidermis shedding). Our results provide indications that branches can be a valuable alternative for biomagnetic monitoring of particulate pollution, but intra-tree variability in branch SIRM can be substantial due to the branch's location in the tree and branch age. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000444659400017 | Publication Date | 2018-07-11 | |
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 | 3.629 | Times cited | 3 | Open Access | |
Notes | ; We would like to thank the city council services of the city of Antwerp for their logistical support. We are grateful to Ana Castanheiro and Leen Van Ham for laboratory and SEM assistance. JH is supported as postdoctoral fellow of the Research Foundation Flanders (FWO; 12I4816N) and SVW is supported by a Marie Sklodowska-Curie Individual Fellowship under the grant agreement no 701815 FLUOPHOT. ; | Approved | Most recent IF: 3.629 | ||
Call Number | UA @ admin @ c:irua:153607 | Serial | 5454 | ||
Permanent link to this record | |||||
Author | Salvant, J.; Williams, J.; Ganio, M.; Casadio, F.; Daher, C.; Sutherland, K.; Monico, L.; Vanmeert, F.; De Meyer, S.; Janssens, K.; Cartwright, C.; Walton, M. | ||||
Title | A Roman Egyptian Painting Workshop : technical investigation of the portraits from Tebtunis, Egypt | Type | A1 Journal article | ||
Year | 2018 | Publication | Archaeometry | Abbreviated Journal | Archaeometry |
Volume | 60 | Issue | 4 | Pages | 815-833 |
Keywords | A1 Journal article; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Roman-period mummy portraits are considered to be ancient antecedents of modern portraiture. However, the techniques and materials used in their manufacture are not thoroughly understood. Analytical study of the pigments as well as the binding materials helps to address questions on what aspects of the painting practices originate from Pharaonic and/or Graeco-Roman traditions, and can aid in determining the provenance of the raw materials from potential locations across the ancient Mediterranean and European worlds. Here, one of the largest assemblages of mummy portraits to remain intact since their excavation from the site of Tebtunis in Egypt was examined using multiple analytical techniques to address how they were made. The archaeological evidence suggests that these portraits were products of a single workshop and, correspondingly, they are found to be made using similar techniques and materials: wax-based and lead white-rich paint combined with a variety of iron-based pigments (including hematite, goethite and jarosite), as well as Egyptian blue, minium, indigo and madder lake to create subtle variations and tones. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000438195100011 | Publication Date | 2017-11-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-813x; 1475-4754 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.47 | Times cited | 6 | Open Access | |
Notes | ; This collaborative initiative is part of NU-ACCESS's broad portfolio of activities, made possible by generous support of the Andrew W. Mellon Foundation as well as supplemental support provided by the Materials Research Center, the Office of the Vice President for Research, the McCormick School of Engineering and Applied Science and the Department of Materials Science and Engineering at Northwestern University. This work made use of the Keck-II facility of the NUANCE Center at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205); the MRSEC program (NSF DMR-1121262) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. Part of this research was carried out at the light source PETRA III at DESY, a member of the Helmholtz Association (HGF), and at ESRF (experiment no. HG-79). We are grateful to Marine Cotte and Wout De Nolf for their support during the experiment at beamline ID21. We would like to thank Gerald Falkenberg and Jan Garrevoet for their assistance in using beamline P06. ; | Approved | Most recent IF: 1.47 | ||
Call Number | UA @ admin @ c:irua:152396 | Serial | 5455 | ||
Permanent link to this record | |||||
Author | Nematollahi, P.; Neyts, E.C. | ||||
Title | A comparative DFT study on CO oxidation reaction over Si-doped BC2N nanosheet and nanotube | Type | A1 Journal article | ||
Year | 2018 | Publication | Applied surface science | Abbreviated Journal | Appl Surf Sci |
Volume | 439 | Issue | 439 | Pages | 934-945 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this study, we performed density functional theory (DFT) calculations to investigate different reaction mechanisms of CO oxidation catalyzed by the Si atom embedded defective BC2N nanostructures as well as the analysis of the structural and electronic properties. The structures of all the complexes are optimized and characterized by frequency calculations at the M062X/6-31G* computational level. Also, The electronic structures and thermodynamic parameters of adsorbed CO and O-2 molecules over Si-doped BC2N nanostructures are examined in detail. Moreover, to investigate the curvature effect on the CO oxidation reaction, all the adsorption and CO oxidation reactions on a finite-sized armchair (6,6) Si-BC2NNT are also studied. Our results indicate that there can be two possible pathways for the CO oxidation with O-2 molecule: O-2(g) + CO(g) -> O-2(ads) + CO(ads) -> CO2(g) + O-(ads) and O-(ads) + CO(g) -> CO2(g). The first reaction proceeds via the Langmuir-Hinshelwood (LH) mechanism while the second goes through the Eley-Rideal (ER) mechanism. On the other hand, by increasing the tube diameter, the energy barrier increases due to the strong adsorption energy of the O-2 molecule which is related to its dissociation over the tube surface. Our calculations indicate that the two step energy barrier of the oxidation reaction over Si-BC2NNS is less than that over the Si-BC2NNT. Hence, Si-BC2NNS may serve as an efficient and highly activated substrate to CO oxidation rather than (4,4) Si-BC2NNT. (C) 2018 Elsevier B.V. All rights reserved. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000427457100112 | Publication Date | 2018-01-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.387 | Times cited | 8 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 3.387 | |||
Call Number | UA @ lucian @ c:irua:150745 | Serial | 4960 | ||
Permanent link to this record | |||||
Author | Aydin, H.; Bacaksiz, C.; Yagmurcukardes, N.; Karakaya, C.; Mermer, O.; Can, M.; Senger, R.T.; Sahin, H.; Selamet, Y. | ||||
Title | Experimental and computational investigation of graphene/SAMs/n-Si Schottky diodes | Type | A1 Journal article | ||
Year | 2018 | Publication | Applied Surface Science | Abbreviated Journal | Appl Surf Sci |
Volume | 428 | Issue | 428 | Pages | 1010-1017 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We have investigated the effect of two different self-assembled monolayers (SAMs) on electrical characteristics of bilayer graphene (BLG)/n-Si Schottky diodes. Novel 4“bis(diphenylamino)-1, 1':3”-terpheny1-5' carboxylic acids (TPA) and 4,4-di-9H-carbazol-9-y1-1,1':3'1'-terpheny1-5' carboxylic acid (CAR) aromatic SAMs have been used to modify n-Si surfaces. Cyclic voltammetry (CV) and Kelvin probe force microscopy (KPFM) results have been evaluated to verify the modification of n-Si surface. The current-voltage (I-V) characteristics of bare and SAMs modified devices show rectification behaviour verifying a Schottky junction at the interface. The ideality factors (n) from ln(I)-V dependences were determined as 2.13,1.96 and 2.07 for BLG/n-Si, BLG/TPA/n-Si and BLG/CAR/n-Si Schottky diodes, respectively. In addition, Schottky barrier height (SBH) and series resistance (Rs) of SAMs modified diodes were decreased compared to bare diode due to the formation of a compatible interface between graphene and Si as well as n-n interaction between aromatic SAMs and graphene. The CAR-based device exhibits better diode characteristic compared to the TPA-based device. Computational simulations show that the BLG/CAR system exhibits smaller energy-level-differences than the BLG/TPA, which supports the experimental findings of a lower Schottky barrier and series resistance in BLG/CAR diode. (C) 2017 Elsevier B.V. All rights reserved. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000415227000128 | Publication Date | 2017-09-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.387 | Times cited | 2 | Open Access | |
Notes | ; This work was supported by TUBITAK (The Scientific and Technical Research Council of Turkey) with project number 112T946. We also thank AQuReC (Applied Quantum Research Center) for Raman measurements. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges support from Bilim Akademisi The Science Academy, Turkey under the BAGEP program. ; | Approved | Most recent IF: 3.387 | ||
Call Number | UA @ lucian @ c:irua:154608UA @ admin @ c:irua:154608 | Serial | 5101 | ||
Permanent link to this record | |||||
Author | Sathiyamoorthy, S.; Girijakumari, G.; Kannan, P.; Venugopal, K.; Thiruvottriyur Shanmugam, S.; Veluswamy, P.; De Wael, K.; Ikeda, H. | ||||
Title | Tailoring the functional properties of polyurethane foam with dispersions of carbon nanofiber for power generator applications | Type | A1 Journal article | ||
Year | 2018 | Publication | Applied surface science | Abbreviated Journal | Appl Surf Sci |
Volume | 449 | Issue | 449 | Pages | 507-513 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | To produce effective thermoelectric nanocomposites, carbon nanofibers (CNF) incorporated polyurethane (PU) foams with nanocomposites are prepared via in-situ polymerization method to create a synergy that would produce a high thermopower. The formation mechanism of foams, the reaction kinetics, and the physical properties such as density and water absorption studied before and after CNF incorporation. The microscopy images showed a uniform dispersion of CNF in the PU matrix of the prepared foams. Spectroscopic studies such as X-ray photoelectron and laser Raman spectroscopy suggested the existence of a tight intermolecular binding interaction between the carbon nanofibers and the PU matrix in the prepared composite foams. It found that the thermopower is directly dependent on the concentration of carbon nanofiber since, with rising concentration of 1%3%, the coefficient values increased from 1.2 μV/K to 11.9 μV/K respectively, a value higher than that of earlier report. This unique nanocomposite offers a new opportunity to recycle waste heat in portable/wearable electronics and other applications, which will broaden the development of low weight and mechanical flexibility. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000438025400064 | Publication Date | 2018-02-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.387 | Times cited | 4 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.387 | ||
Call Number | UA @ admin @ c:irua:151287 | Serial | 5868 | ||
Permanent link to this record |