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Author | Wang, J.; Zhang, K.; Mertens, M.; Bogaerts, A.; Meynen, V. | ||||
Title | Plasma-based dry reforming of methane in a dielectric barrier discharge reactor: Importance of uniform (sub)micron packings/catalysts to enhance the performance | Type | A1 Journal Article | ||
Year | 2023 | Publication | APPLIED CATALYSIS B-ENVIRONMENTAL | Abbreviated Journal | |
Volume | 337 | Issue | Pages | 122977 | |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | This study presents new insights on the effect of (sub)micrometer particle sized materials in plasma-based CO2- CH4 reforming by investigating the performance of SiO2 spheres (with/without supported metal) of varying particle sizes. (Sub)micron particles synthesized through the St¨ober method were used instead of (sub)millimeter particles employed in previous studies. Increasing particle size (from 120 nm to 2390 nm) was found to first increase and then decrease conversion and energy yield, with optimal performance achieved using 740 nm 5 wt% Ni loaded SiO2, which improved CO2 and CH4 conversion, and energy yield to 44%, 55%, and 0.271 mmol/kJ, respectively, compared to 20%, 27%, and 0.116 mmol/kJ in an empty reactor at the same flow rate. This is the first to achieve significant performance improvement in a fully packed reactor, highlighting the importance of selecting a suitable particle size. The findings can offer guidance towards rational design of catalysts for plasmabased reactions. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001056527600001 | Publication Date | 2023-06-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 22.1 | Times cited | Open Access | Not_Open_Access | |
Notes | This work is supported by the China Scholarship Council (No. 201806060123); and the VLAIO Catalisti transition project CO2PERATE (HBC.2017.0692). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). | Approved ![]() |
Most recent IF: 22.1; 2023 IF: 9.446 | ||
Call Number | PLASMANT @ plasmant @c:irua:196955 | Serial | 8797 | ||
Permanent link to this record | |||||
Author | Wang, J.; Zhang, K.; Mertens, M.; Bogaerts, A.; Meynen, V. | ||||
Title | Plasma-based dry reforming of methane in a dielectric barrier discharge reactor: Importance of uniform (sub)micron packings/catalysts to enhance the performance | Type | A1 Journal Article | ||
Year | 2023 | Publication | APPLIED CATALYSIS B-ENVIRONMENTAL | Abbreviated Journal | |
Volume | 337 | Issue | Pages | 122977 | |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | This study presents new insights on the effect of (sub)micrometer particle sized materials in plasma-based CO2- CH4 reforming by investigating the performance of SiO2 spheres (with/without supported metal) of varying particle sizes. (Sub)micron particles synthesized through the St¨ober method were used instead of (sub)millimeter particles employed in previous studies. Increasing particle size (from 120 nm to 2390 nm) was found to first increase and then decrease conversion and energy yield, with optimal performance achieved using 740 nm 5 wt% Ni loaded SiO2, which improved CO2 and CH4 conversion, and energy yield to 44%, 55%, and 0.271 mmol/kJ, respectively, compared to 20%, 27%, and 0.116 mmol/kJ in an empty reactor at the same flow rate. This is the first to achieve significant performance improvement in a fully packed reactor, highlighting the importance of selecting a suitable particle size. The findings can offer guidance towards rational design of catalysts for plasmabased reactions. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001056527600001 | Publication Date | 2023-06-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 22.1 | Times cited | Open Access | Not_Open_Access | |
Notes | This work is supported by the China Scholarship Council (No. 201806060123); and the VLAIO Catalisti transition project CO2PERATE (HBC.2017.0692). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). | Approved ![]() |
Most recent IF: 22.1; 2023 IF: 9.446 | ||
Call Number | PLASMANT @ plasmant @c:irua:196955 | Serial | 8798 | ||
Permanent link to this record | |||||
Author | Peeters, H.; Keulemans, M.; Nuyts, G.; Vanmeert, F.; Li, C.; Minjauw, M.; Detavernier, C.; Bals, S.; Lenaerts, S.; Verbruggen, S.W. | ||||
Title | Plasmonic gold-embedded TiO2 thin films as photocatalytic self-cleaning coatings | Type | A1 Journal article | ||
Year | 2020 | Publication | Applied Catalysis B-Environmental | Abbreviated Journal | Appl Catal B-Environ |
Volume | 267 | Issue | 267 | Pages | 118654 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Transparent photocatalytic TiO2 thin films hold great potential in the development of self-cleaning glass sur- faces, but suffer from a poor visible light response that hinders the application under actual sunlight. To alleviate this problem, the photocatalytic film can be modified with plasmonic nanoparticles that interact very effectively with visible light. Since the plasmonic effect is strongly concentrated in the near surroundings of the nano- particle surface, an approach is presented to embed the plasmonic nanostructures in the TiO2 matrix itself, rather than deposit them loosely on the surface. This way the interaction interface is maximised and the plasmonic effect can be fully exploited. In this study, pre-fabricated gold nanoparticles are made compatible with the organic medium of a TiO2 sol-gel coating suspension, resulting in a one-pot coating suspension. After spin coating, homogeneous, smooth, highly transparent and photoactive gold-embedded anatase thin films are ob- tained. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000518865300002 | Publication Date | 2020-01-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 22.1 | Times cited | 57 | Open Access | OpenAccess |
Notes | H.P. is grateful to the Research Foundation Flanders (FWO) for an aspirant PhD scholarship. | Approved ![]() |
Most recent IF: 22.1; 2020 IF: 9.446 | ||
Call Number | EMAT @ emat @c:irua:165616 | Serial | 5446 | ||
Permanent link to this record | |||||
Author | Mahadi, A.H.; Ye, L.; Fairclough, S.M.; Qu, J.; Wu, S.; Chen, W.; Papaioannou, E.; Ray, B.; Pennycook, T.J.; Haigh, S.J.; Young, N.P.; Tedsree, K.; Metcalfe, I.S.; Tsang, S.C.E. | ||||
Title | Beyond surface redox and oxygen mobility at pd-polar ceria (100) interface : underlying principle for strong metal-support interactions in green catalysis | Type | A1 Journal article | ||
Year | 2020 | Publication | Applied Catalysis B-Environmental | Abbreviated Journal | Appl Catal B-Environ |
Volume | 270 | Issue | Pages | 118843 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | When ceria is used as a support for many redox catalysis involved in green catalysis, it is well-known that the overlying noble metal can gain access to a significant quantity of oxygen atoms with high mobility and fast reduction and oxidation properties under mild conditions. However, it is as yet unclear what the underlying principle and the nature of the ceria surface involved are. By using two tailored morphologies of ceria nanocrystals, namely cubes and rods, it is demonstrated from Scanning Transmission Electron Microscopy with Electron Energy Loss Spectroscopy (STEM-EELS) mapping and Pulse Isotopic Exchange (PIE) that ceria nano-cubes terminated with a polar surface (100) can give access to more than the top most layer of surface oxygen atoms. Also, they give higher oxygen mobility than ceria nanorods with a non-polar facet of (110). A new insight for the possible additional role of polar ceria surface plays in the oxygen mobility is obtained from Density Functional Theory (DFT) calculations which suggest that the (100) surface sites that has more than half-filled O on same plane can drive oxygen atoms to oxidise adsorbate(s) on Pd due to the strong electrostatic repulsion. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000526110500007 | Publication Date | 2020-03-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 22.1 | Times cited | Open Access | ||
Notes | Approved ![]() |
Most recent IF: 22.1; 2020 IF: 9.446 | |||
Call Number | UA @ admin @ c:irua:183959 | Serial | 6856 | ||
Permanent link to this record | |||||
Author | Ostrikov, K.; Neyts, E.C.; Meyyappan, M. | ||||
Title | Plasma nanoscience : from nano-solids in plasmas to nano-plasmas in solids | Type | A1 Journal article | ||
Year | 2013 | Publication | Advances in physics | Abbreviated Journal | Adv Phys |
Volume | 62 | Issue | 2 | Pages | 113-224 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The unique plasma-specific features and physical phenomena in the organization of nanoscale soild-state systems in a broad range of elemental composition, structure, and dimensionality are critically reviewed. These effects lead to the possibility to localize and control energy and matter at nanoscales and to produce self-organized nano-solids with highly unusual and superior properties. A unifying conceptual framework based on the control of production, transport, and self-organization of precursor species is introduced and a variety of plasma-specific non-equilibrium and kinetics-driven phenomena across the many temporal and spatial scales is explained. When the plasma is localized to micrometer and nanometer dimensions, new emergent phenomena arise. The examples range from semiconducting quantum dots and nanowires, chirality control of single-walled carbon nanotubes, ultra-fine manipulation of graphenes, nano-diamond, and organic matter to nano-plasma effects and nano-plasmas of different states of matter. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000320913600001 | Publication Date | 2013-06-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0001-8732;1460-6976; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 21.818 | Times cited | 380 | Open Access | |
Notes | Approved ![]() |
Most recent IF: 21.818; 2013 IF: 18.062 | |||
Call Number | UA @ lucian @ c:irua:108723 | Serial | 2639 | ||
Permanent link to this record | |||||
Author | Yu, W.-B.; Hu, Z.-Y.; Jin, J.; Yi, M.; Yan, M.; Li, Y.; Wang, H.-E.; Gao, H.-X.; Mai, L.-Q.; Hasan, T.; Xu, B.-X.; Peng, D.-L.; Van Tendeloo, G.; Su, B.-L. | ||||
Title | Unprecedented and highly stable lithium storage capacity of (001) faceted nanosheet-constructed hierarchically porous TiO₂/rGO hybrid architecture for high-performance Li-ion batteries | Type | A1 Journal article | ||
Year | 2020 | Publication | National Science Review | Abbreviated Journal | Natl Sci Rev |
Volume | 7 | Issue | 6 | Pages | 1046-1058 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Active crystal facets can generate special properties for various applications. Herein, we report a (001) faceted nanosheet-constructed hierarchically porous TiO2/rGO hybrid architecture with unprecedented and highly stable lithium storage performance. Density functional theory calculations show that the (001) faceted TiO2 nanosheets enable enhanced reaction kinetics by reinforcing their contact with the electrolyte and shortening the path length of Li+ diffusion and insertion-extraction. The reduced graphene oxide (rGO) nanosheets in this TiO2/rGO hybrid largely improve charge transport, while the porous hierarchy at different length scales favors continuous electrolyte permeation and accommodates volume change. This hierarchically porous TiO2/rGO hybrid anode material demonstrates an excellent reversible capacity of 250 mAh g(-1) at 1 C (1 C = 335 mA g(-1)) at a voltage window of 1.0-3.0 V. Even after 1000 cycles at 5 C and 500 cycles at 10 C, the anode retains exceptional and stable capacities of 176 and 160 mAh g(-1), respectively. Moreover, the formed Li2Ti2O4 nanodots facilitate reversed Li+ insertion-extraction during the cycling process. The above results indicate the best performance of TiO2-based materials as anodes for lithium-ion batteries reported in the literature. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000544175300013 | Publication Date | 2020-02-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2095-5138 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 20.6 | Times cited | 3 | Open Access | OpenAccess |
Notes | ; This work was supported by the National Key R&D Program of China (2016YFA0202602 and 2016YFA0202603), the National Natural Science Foundation of China (U1663225) and Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52). ; | Approved ![]() |
Most recent IF: 20.6; 2020 IF: 8.843 | ||
Call Number | UA @ admin @ c:irua:170776 | Serial | 6648 | ||
Permanent link to this record | |||||
Author | Janssens, K.; Dik, J.; Cotte, M.; Susini, J. | ||||
Title | Photon-based techniques for nondestructive subsurface analysis of painted cultural heritage artifacts | Type | A1 Journal article | ||
Year | 2010 | Publication | Accounts of chemical research | Abbreviated Journal | Accounts Chem Res |
Volume | 43 | Issue | 6 | Pages | 814-825 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Often, just micrometers below a paintings surface lies a wealth of information, both with Old Masters such as Peter Paul Rubens and Rembrandt van Rijn and with more recent artists of great renown such as Vincent Van Gogh and James Ensor. Subsurface layers may include underdrawing, underpainting, and alterations, and in a growing number of cases conservators have discovered abandoned compositions on paintings, illustrating artists practice of reusing a canvas or panel. The standard methods for studying the inner structure of cultural heritage (CH) artifacts are infrared reflectography and X-ray radiography, techniques that are optionally complemented with the microscopic analysis of cross-sectioned samples. These methods have limitations, but recently, a number of fundamentally new approaches for fully imaging the buildup of hidden paint layers and other complex three-dimensional (3D) substructures have been put into practice. In this Account, we discuss these developments and their recent practical application with CH artifacts. We begin with a tabular summary of 14 IR- and X-ray-based imaging methods and then continue with a discussion of each technique, illustrating CH applications with specific case studies. X-ray-based tomographic and laminographic techniques can be used to generate 3D renditions of artifacts of varying dimensions. These methods are proving invaluable for exploring inner structures, identifying the conservation state, and postulating the original manufacturing technology of metallic and other sculptures. In the analysis of paint layers, terahertz time-domain spectroscopy (THz-TDS) can highlight interfaces between layers in a stratigraphic buildup, whereas macrosopic scanning X-ray fluorescence (MA-XRF) has been employed to measure the distribution of pigments within these layers. This combination of innovative methods provides topographic and color information about the micrometer depth scale, allowing us to look into paintings in an entirely new manner. Over the past five years, several new variants of traditional IR- and X-ray-based imaging methods have been implemented by conservators and museums, and the first reports have begun to emerge in the primary research literature. Applying these state-of-the-art techniques in a complementary fashion affords a more comprehensive view of paintings and other artworks. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000278842500013 | Publication Date | 2010-05-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0001-4842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 20.268 | Times cited | 78 | Open Access | |
Notes | ; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of FWO (Brussels, Belgium) projects nr. G.0704.08 and G.0179.09 and from the UA-BOF GOA programme. ; | Approved ![]() |
Most recent IF: 20.268; 2010 IF: 21.852 | ||
Call Number | UA @ admin @ c:irua:83983 | Serial | 5772 | ||
Permanent link to this record | |||||
Author | Cotte, M.; Susini, J.; Dik, J.; Janssens, K. | ||||
Title | Synchrotron-based X-ray absorption spectroscopy for art conservation: looking back and looking forward | Type | A1 Journal article | ||
Year | 2010 | Publication | Accounts of chemical research | Abbreviated Journal | Accounts Chem Res |
Volume | 43 | Issue | 6 | Pages | 705-714 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | A variety of analytical techniques augmented by the use of synchrotron radiation (SR), such as X-ray fluorescence (SR-XRF) and X-ray diffraction (SR-XRD), are now readily available, and they differ little, conceptually, from their common laboratory counterparts. Because of numerous advantages afforded by SR-based techniques over benchtop versions, however, SR methods have become popular with archaeologists, art historians, curators, and other researchers in the field of cultural heritage (CH). Although the CH community now commonly uses both SR-XRF and SR-XRD, the use of synchrotron-based X-ray absorption spectroscopy (SR-XAS) techniques remains marginal, mostly because CH specialists rarely interact with SR physicists. In this Account, we examine the basic principles and capabilities of XAS techniques in art preservation. XAS techniques offer a combination of features particularly well-suited for the chemical analysis of works of art. The methods are noninvasive, have low detection limits, afford high lateral resolution, and provide exceptional chemical sensitivity. These characteristics are highly desirable for the chemical characterization of precious, heterogeneous, and complex materials. In particular, the chemical mapping capability, with high spatial resolution that provides information about local composition and chemical states, even for trace elements, is a unique asset. The chemistry involved in both the objects history (that is, during fabrication) and future (that is, during preservation and restoration treatments) can be addressed by XAS. On the one hand, many studies seek to explain optical effects occurring in historical glasses or ceramics by probing the molecular environment of relevant chromophores. Hence, XAS can provide insight into craft skills that were mastered years, decades, or centuries ago but were lost over the course of time. On the other hand, XAS can also be used to characterize unwanted reactions, which are then considered alteration phenomena and can dramatically alter the objects original visual properties. In such cases, the bulk elemental composition is usually unchanged. Hence, monitoring oxidation state (or, more generally, other chemical modifications) can be of great importance. Recent applications of XAS in art conservation are reviewed and new trends are discussed, highlighting the value (and future possibilities) of XAS, which remains, given its potential, underutilized in the CH community. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000278842500003 | Publication Date | 2010-01-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0001-4842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 20.268 | Times cited | 74 | Open Access | |
Notes | ; ; | Approved ![]() |
Most recent IF: 20.268; 2010 IF: 21.852 | ||
Call Number | UA @ admin @ c:irua:83982 | Serial | 5861 | ||
Permanent link to this record | |||||
Author | Khalilov, U.; Bogaerts, A.; Neyts, E.C. | ||||
Title | Toward the Understanding of Selective Si Nano-Oxidation by Atomic Scale Simulations | Type | A1 Journal article | ||
Year | 2017 | Publication | Accounts of chemical research | Abbreviated Journal | Accounts Chem Res |
Volume | 50 | Issue | 50 | Pages | 796-804 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The continuous miniaturization of nanodevices, such as transistors, solar cells, and optical fibers, requires the controlled synthesis of (ultra)thin gate oxides (<10 nm), including Si gate-oxide (SiO2) with high quality at the atomic scale. Traditional thermal growth of SiO2 on planar Si surfaces, however, does not allow one to obtain such ultrathin oxide due to either the high oxygen diffusivity at high temperature or the very low sticking ability of incident oxygen at low temperature. Two recent techniques, both operative at low (room) temperature, have been put forward to overcome these obstacles: (i) hyperthermal oxidation of planar Si surfaces and (ii) thermal or plasma-assisted oxidation of nonplanar Si surfaces, including Si nanowires (SiNWs). These nanooxidation processes are, however, often difficult to study experimentally, due to the key intermediate processes taking place on the nanosecond time scale. In this Account, these Si nano-oxidation techniques are discussed from a computational point of view and compared to both hyperthermal and thermal oxidation experiments, as well as to well-known models of thermal oxidation, including the Deal−Grove, Cabrera−Mott, and Kao models and several alternative mechanisms. In our studies, we use reactive molecular dynamics (MD) and hybrid MD/Monte Carlo simulation techniques, applying the Reax force field. The incident energy of oxygen species is chosen in the range of 1−5 eV in hyperthermal oxidation of planar Si surfaces in order to prevent energy-induced damage. It turns out that hyperthermal growth allows for two growth modes, where the ultrathin oxide thickness depends on either (1) only the kinetic energy of the incident oxygen species at a growth temperature below Ttrans = 600 K, or (2) both the incident energy and the growth temperature at a growth temperature above Ttrans. These modes are specific to such ultrathin oxides, and are not observed in traditional thermal oxidation, nor theoretically considered by already existing models. In the case of thermal or plasma-assisted oxidation of small Si nanowires, on the other hand, the thickness of the ultrathin oxide is a function of the growth temperature and the nanowire diameter. Below Ttrans, which varies with the nanowire diameter, partially oxidized SiNW are formed, whereas complete oxidation to a SiO2 nanowire occurs only above Ttrans. In both nano-oxidation processes at lower temperature (T < Ttrans), final sandwich c-Si|SiOx|a-SiO2 structures are obtained due to a competition between overcoming the energy barrier to penetrate into Si subsurface layers and the compressive stress (∼2−3 GPa) at the Si crystal/oxide interface. The overall atomic-simulation results strongly indicate that the thickness of the intermediate SiOx (x < 2) region is very limited (∼0.5 nm) and constant irrespective of oxidation parameters. Thus, control over the ultrathin SiO2 thickness with good quality is indeed possible by accurately tuning the oxidant energy, oxidation temperature and surface curvature. In general, we discuss and put in perspective these two oxidation mechanisms for obtaining controllable ultrathin gate-oxide films, offering a new route toward the fabrication of nanodevices via selective nano-oxidation. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000399859800016 | Publication Date | 2017-04-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0001-4842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 20.268 | Times cited | 5 | Open Access | OpenAccess |
Notes | Fonds Wetenschappelijk Onderzoek, 12M1315N ; | Approved ![]() |
Most recent IF: 20.268 | ||
Call Number | PLASMANT @ plasmant @ c:irua:142638 | Serial | 4561 | ||
Permanent link to this record | |||||
Author | Albrecht, W.; Van Aert, S.; Bals, S. | ||||
Title | Three-Dimensional Nanoparticle Transformations Captured by an Electron Microscope | Type | A1 Journal article | ||
Year | 2021 | Publication | Accounts Of Chemical Research | Abbreviated Journal | Accounts Chem Res |
Volume | 54 | Issue | 5 | Pages | 1189-1199 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000626269900011 | Publication Date | 2021-03-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0001-4842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 20.268 | Times cited | 12 | Open Access | OpenAccess |
Notes | The authors acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128–REALNANO and No. 770887–PICOMETRICS), the Research Foundation Flanders (FWO, G.0267.18N), and the European Commission (EUSMI). The authors furthermore acknowledge funding from the European Union’s Horizon 2020 research and innovation program, ESTEEM3. The authors also acknowledge contributions from all co-workers that have contributed over the years: Thomas Altantzis, Annick De Backer, Joost Batenburg and co-workers, Armand Béché, Eva Bladt, Lewys Jones and co-workers, Luis Liz-Marzán and co-workers, Ivan Lobato, Thais Milagres de Oliveira, Peter Nellist and co-workers, Hugo Pérez Garza and co-workers, Alexander Skorikov, Sara Skrabalak and co-workers, Sandra Van Aert, Alfons van Blaaderen and co-workers, Hans Vanrompay, Staf Van Tendeloo, and Johan Verbeeck.; sygmaSB; | Approved ![]() |
Most recent IF: 20.268 | ||
Call Number | EMAT @ emat @c:irua:177644 | Serial | 6752 | ||
Permanent link to this record | |||||
Author | Truta, F.M.; Cruz, A.G.; Dragan, A.-M.; Tertis, M.; Cowen, T.; Stefan, M.-G.; Topala, T.; Slosse, A.; Piletska, E.; Van Durme, F.; Kiss, B.; De Wael, K.; Piletsky, S.A.; Cristea, C. | ||||
Title | Design of smart nanoparticles for the electrochemical detection of 3,4-methylenedioxymethamphetamine to allow in field screening by law enforcement officers | Type | A1 Journal article | ||
Year | 2023 | Publication | Drug testing and analysis | Abbreviated Journal | |
Volume | Issue | Pages | 1-14 | ||
Keywords | A1 Journal article; Pharmacology. Therapy; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
Abstract | A portable and highly sensitive sensor was designed for the specific detection of 3,4-methyl-enedioxy-methamphetamine (MDMA), in a range of field-testing situations. The sensor can detect MDMA in street samples, even when other controlled substances drugs, or adulterants are present. In this work, we report for the first time a sensor using electroactive molecularly imprinted polymer nanoparticles computationally designed to recognize MDMA and then produced using solid phase synthesis. A composite comprising chitosan, reduced graphene oxide, and molecularly imprinted polymer nanoparticles synthesized for MDMA for the first time was immobilized on screen-printed carbon electrodes. The sensors displayed a satisfactory sensitivity (106.8 nA x mu M-1), limit of detection (1.6 nM; 0.31 ng/mL), and recoveries (92-99%). The accuracy of the results was confirmed through validation using Ultra-High Performance Liquid Chromatography coupled with tandem Mass Spectrometry (UPLC-MS/MS). This technology could be used in forensic analysis and make it possible to selectively detect MDMA in street samples. A highly sensitive and portable sensor has been developed to detect MDMA in street samples. It uses electroactive molecularly imprinted polymer nanoparticles computationally designed to recognize MDMA, which were immobilized on screen-printed carbon electrodes with chitosan and graphene. The sensor showed good sensitivity and satisfactory recoveries (92-99%), confirmed with UPLC-MS/MS validation. This technology has the potential to be used in forensic analysis.image | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001107703400001 | Publication Date | 2023-11-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1942-7603; 1942-7611 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.9 | Times cited | Open Access | ||
Notes | Approved ![]() |
Most recent IF: 2.9; 2023 IF: 3.469 | |||
Call Number | UA @ admin @ c:irua:202058 | Serial | 9020 | ||
Permanent link to this record | |||||
Author | Deconinck, E.; Polet, M.A.; Canfyn, M.; Duchateau, C.; De Braekeleer, K.; Van Echelpoel, R.; De Wael, K.; Gremeaux, L.; Degreef, M.; Balcaen, M. | ||||
Title | Evaluation of an electrochemical sensor and comparison with spectroscopic approaches as used today in practice for harm reduction in a festival setting: a case study : analysis of 3,4-methylenedioxymethamphetamine samples | Type | A1 Journal article | ||
Year | 2023 | Publication | Drug testing and analysis | Abbreviated Journal | |
Volume | Issue | Pages | 1-13 | ||
Keywords | A1 Journal article; Pharmacology. Therapy; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
Abstract | More and more countries and organisations emphasise the value of harm reduction measures in the context of illicit drug use and abuse. One of these measures is drug checking, a preventive action that can represent a quick win by tailored consultation on the risks of substance use upon analytical screening of a submitted sample. Unlike drop-in centres that operate within a fixed setting, enabling drug checking in a harm reduction context at events requires portable, easy to use analytical approaches, operated by personnel with limited knowledge of analytical chemistry. In this case study, four different approaches were compared for the characterisation of 3,4-methylenedioxymethamphetamine samples and this in the way the approaches would be applied today in an event context. The four approaches are mid-infrared (MIR), near-infrared, and Raman spectroscopy, which are today used in drug checking context in Belgium, as well as an electrochemical sensor approach initially developed in the context of law enforcement at ports. The MIR and the electrochemical approach came out best, with the latter allowing for a direct straightforward analysis of the percentage 3,4-methylenedioxymethamphetamine (as base equivalent) in the samples. However, MIR has the advantage that, in a broader drug checking context, it allows to screen for several molecules and so is able to identify unexpected active components or at least the group to which such components belong. The latter is also an important advantage in the context of the growing emergence of new psychotropic substances. MIR, NIR, Raman spectroscopy, and an electrochemical sensor (Narcoreader (R)) for MDMA analysis were compared in a realistic harm reduction context. NIR and Raman failed in simple library approaches. MIR and Narcoreader (R) were preferred. MIR came out as first choice. MIR and Narcoreader (R) have complementary (dis)advantages and could be used in a two-step approach: MIR for screening and Narcoreader (R) for dosage/risk evaluation of MDMA samples.image | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001122493700001 | Publication Date | 2023-12-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1942-7603; 1942-7611 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.9 | Times cited | Open Access | ||
Notes | Approved ![]() |
Most recent IF: 2.9; 2023 IF: 3.469 | |||
Call Number | UA @ admin @ c:irua:202047 | Serial | 9032 | ||
Permanent link to this record | |||||
Author | Ramesha, B.M.; Pawlak, B.; Arenas Esteban, D.; Reekmans, G.; Bals, S.; Marchal, W.; Carleer, R.; Adriaensens, P.; Meynen, V. | ||||
Title | Partial hydrolysis of diphosphonate ester during the formation of hybrid Tio₂ nanoparticles : role of acid concentration | Type | A1 Journal article | ||
Year | 2023 | Publication | ChemPhysChem : a European journal of chemical physics and physical chemistry | Abbreviated Journal | |
Volume | Issue | Pages | e202300437-13 | ||
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
Abstract | In the present work, a method was utilized to control the in‐situ partial hydrolysis of a diphosphonate ester in presence of a titania precursor and in function of acid content and its impact on the hybrid nanoparticles was assessed. The hydrolysis degree of organodiphosphonate ester linkers during the formation of hybrid organic‐inorganic metal oxide nanoparticles, are relatively underexplored . Quantitative solution NMR spectroscopy revealed that during the synthesis of TiO2 nanoparticles, an increase in acid concentration introduces a higher degree of partial hydrolysis of the TEPD linker into diverse acid/ester derivatives of TEPD. Increasing the HCl/Ti ratio from 1 to 3, resulted in an increase in degree of partial hydrolysis of the TEPD linker in solution from 4% to 18.8% under the here applied conditions. As a result of the difference in partial hydrolysis, the linker‐TiO2 bonding was altered. Upon subsequent drying of the colloidal TiO2 solution, different textures, at nanoscale and macroscopic scale, were obtained dependent on the HCl/Ti ratio and thus the degree of hydrolysis of TEPD. Understanding such linker‐TiO2 nanoparticle surface dynamics is crucial for making hybrid organic‐inorganic materials (i.e. (porous) metal phosphonates) employed in applications such as electronic/photonic devices, separation technology and heterogeneous catalysts. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001071673900001 | Publication Date | 2023-09-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1439-4235; 1439-7641 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.9 | Times cited | Open Access | OpenAccess | |
Notes | This work was supported by the Research Foundation-Flanders (FWO Vlaanderen) Project G.0121.17 N. The work was further supported by Hasselt University and the Research Foundation – Flanders (FWO Vlaanderen) via the Hercules project AUHL/15/2 – GOH3816 N. V. M. acknowledges the Research Foundation Flanders (FWO) for project K801621 N. B. M. R. acknowledges, Prof. Dr. Christophe Detavernier and Dr. Davy Deduystche (COCOON, Ghent University) for PXRD and VT-XRD measurements, Prof. Dr. Christophe Van De Velde (iPRACS, University of Antwerp) and Dr. Radu Ciocarlan (LADCA, University of Antwerp) for helpful discussions on PXRD measurements and Dr. Nick Gys (University of Antwerp and VITO) for ICP-OES measurements. | Approved ![]() |
Most recent IF: 2.9; 2023 IF: 3.075 | ||
Call Number | UA @ admin @ c:irua:198934 | Serial | 8911 | ||
Permanent link to this record | |||||
Author | Zamani, M.; Yapicioglu, H.; Kara, A.; Sevik, C. | ||||
Title | Statistical analysis of porcelain tiles' technical properties : full factorial design investigation on oxide ratios and temperature | Type | A1 Journal article | ||
Year | 2023 | Publication | Physica scripta | Abbreviated Journal | |
Volume | 98 | Issue | 12 | Pages | 125953-18 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | This study focuses on optimizing the composition and firing temperature of porcelain tiles using statistical analysis techniques. A full factorial design, including model adequacy checking, analysis of variance, Pareto charts, interaction plots, regression model, and response optimizer is employed. The key factors were the Seger ratios of SiO2/Al2O3, Na2O/K2O, MgO/CaO, and firing temperature. The response variables investigated were bulk density, water absorption, linear shrinkage, coefficient of thermal expansion (at 500 degrees C), and strength. The statistical analysis revealed highly significant results, which were further validated, confirming their reliability for practical use in the production of porcelain tiles. The study demonstrated the effectiveness of utilizing Seger formulas and properties of typical raw materials to accurately predict the final properties of ceramic tiles. By employing SiO2/Al2O3 = 5.2, Na2O/K2O = 1.50, MgO/CaO = 3.0, and firing temperature of 1180 degrees C, optimized properties, such as maximum strength, maximum bulk density, and minimum water absorption, was achieved with a composite desirability of 0.9821. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001105879800001 | Publication Date | 2023-11-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0031-8949; 1402-4896 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 2.9 | Times cited | Open Access | ||
Notes | Approved ![]() |
Most recent IF: 2.9; 2023 IF: 1.28 | |||
Call Number | UA @ admin @ c:irua:202033 | Serial | 9097 | ||
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Author | Bafekry, A.; Stampfl, C.; Shayesteh, S.F. | ||||
Title | A first-principles study of C3N nanostructures : control and engineering of the electronic and magnetic properties of nanosheets, tubes and ribbons | Type | A1 Journal article | ||
Year | 2020 | Publication | Chemphyschem | Abbreviated Journal | Chemphyschem |
Volume | 21 | Issue | 2 | Pages | 164-174 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Using first-principles calculations we systematically investigate the atomic, electronic and magnetic properties of novel two-dimensional materials (2DM) with a stoichiometry C3N which has recently been synthesized. We investigate how the number of layers affect the electronic properties by considering monolayer, bilayer and trilayer structures, with different stacking of the layers. We find that a transition from semiconducting to metallic character occurs which could offer potential applications in future nanoelectronic devices. We also study the affect of width of C3N nanoribbons, as well as the radius and length of C3N nanotubes, on the atomic, electronic and magnetic properties. Our results show that these properties can be modified depending on these dimensions, and depend markedly on the nature of the edge states. Functionalization of the nanostructures by the adsorption of H adatoms is found induce metallic, half-metallic, semiconducting and ferromagnetic behavior, which offers an approach to tailor the properties, as can the application of strain. Our calculations give insight into this new family of C3N nanostructures, which reveal unusual electronic and magnetic properties, and may have great potential in applications such as sensors, electronics and optoelectronic at the nanoscale. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000503453100001 | Publication Date | 2019-11-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1439-4235 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.9 | Times cited | 27 | Open Access | |
Notes | ; ; | Approved ![]() |
Most recent IF: 2.9; 2020 IF: 3.075 | ||
Call Number | UA @ admin @ c:irua:165045 | Serial | 6282 | ||
Permanent link to this record | |||||
Author | Pacquets, L.; Irtem, E.; Neukermans, S.; Daems, N.; Bals, S.; Breugelmans, T. | ||||
Title | Size-controlled electrodeposition of Cu nanoparticles on gas diffusion electrodes in methanesulfonic acid solution | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Applied Electrochemistry | Abbreviated Journal | J Appl Electrochem |
Volume | 51 | Issue | 2 | Pages | |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract | In this paper electrodeposition is used to obtain Cu nanoparticles, as it allows good control over particle size and distribution. These Cu particles were deposited onto a gas diffusion electrode which increased the resulting surface area. Prior to deposition, the surface was pre-treated with NaOH, HNO3, MQ and TX100 to investigate the influence on the electrodeposition of Cu on the gas diffusion electrode (GDE). When using HNO3, the smallest particles with the most homogeneous distribution and high particle roughness were obtained. Once the optimal substrate was determined, we further demonstrated that by altering the electrodeposition parameters, the particle size and density could be tuned. On the one hand, increasing the nucleation potential led to a higher particle density resulting in smaller particles because of an increased competition between particles. Finally, the Cu particle size increased when applying a greater growth charge and growth potential. This fundamental study thus opens up a path towards the synthesis of supported Cu materials with increased surface areas, which is interesting from a catalytic point of view. Larger surface areas are generally correlated with a better catalyst performance and thus higher product yields. This research can contributed in obtaining new insides into the deposition of metallic nanoparticles on rough surfaces. [GRAPHICS] . | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000568651000001 | Publication Date | 2020-09-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-891x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.9 | Times cited | 3 | Open Access | OpenAccess |
Notes | ; L. Pacquets was supported through a PhD fellowship strategic basic research (1S56918N) of the Research Foundation-Flanders (FWO). N. Daems was supported through a postdoctoral fellowship (12Y3919N-ND) of the Research Foundation-Flanders (FWO). S. Neukermans was supported through an FWO project grant (G093317N). This research was financed by the research counsel of the university of Antwerp (BOF-GOA 33928). The authors recognize the contribution of Thomas Kenis for analytical validation and methodology. ; | Approved ![]() |
Most recent IF: 2.9; 2020 IF: 2.235 | ||
Call Number | UA @ admin @ c:irua:171588 | Serial | 6603 | ||
Permanent link to this record | |||||
Author | Buysse, C.; Michielsen, B.; Middelkoop, V.; Snijkers, F.; Buekenhondt, A.; Kretzschmar, J.; Lenaerts, S. | ||||
Title | Modeling of the performance of BSCF capillary membranes in four-end and three-end integration mode | Type | A1 Journal article | ||
Year | 2013 | Publication | Ceramics international | Abbreviated Journal | Ceram Int |
Volume | 39 | Issue | 4 | Pages | 4113-4123 |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Owing to their high surface-to-volume ratio, there has been an increasing research interest in mixed ionic electronic conducting (MIEC) capillary membranes for large-scale high temperature oxygen separation applications. They offer an energy-efficient solution for high temperature combustion processes in oxy-fuel and pre-combustion CO2 capture technologies used in fossil fuel power plants. In order to assess the effectiveness of these membranes in power plant applications, the impact of the geometry of Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) capillaries on their performance in the three-end and four-end integration modes has been investigated and thoroughly discussed. The model's parameters were derived from four-end mode lab-scale experiments using gas-tight, macrovoid free and sulfur-free BSCF capillary membranes that were prepared by a phase-inversion spinning technique. The results of this modeling study revealed that in the four-end mode higher average oxygen fluxes and smaller total membrane areas can be obtained than in the three-end mode. This is due to the higher pO(2) gradient across the membrane wall. (C) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000318129100084 | Publication Date | 2012-11-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0272-8842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.986 | Times cited | 4 | Open Access | |
Notes | ; The authors wish to thank all the VITO staff involved in the project for their continued support, and in particular B. Molenberghs, W. Doyen, H. Beckers and S. Mullens. C. Buysse would like to acknowledge funding from VITO and the University of Antwerp for a Ph.D. studentship. This work has been performed in the framework of the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. ; | Approved ![]() |
Most recent IF: 2.986; 2013 IF: 2.086 | ||
Call Number | UA @ admin @ c:irua:109020 | Serial | 5971 | ||
Permanent link to this record | |||||
Author | Özen, M.; Mertens, M.; Luyten, J.; Snijkers, F.; d' Hondt, H.; Cool, P. | ||||
Title | Hydrothermal synthesis of carbonate-free submicron-sized barium titanate from an amorphous precursor : synthesis and characterization | Type | A1 Journal article | ||
Year | 2012 | Publication | Ceramics international | Abbreviated Journal | Ceram Int |
Volume | 38 | Issue | 1 | Pages | 619-625 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
Abstract | In this paper, the amorphous barium titanate precursor was prepared by the peroxo-hydroxide method and post-treated by various drying procedures, such as: room temperature drying, room temperature vacuum drying and vacuum drying at 50 degrees C. The objective in the latter two treatments was to increase the Ti-O-Ba bonds of the precursor. The post-treated precursors were compared with the untreated (i.e., 'wet') precursor. Also, a barium titanate precursor was prepared by an alkoxide route. Afterwards, the precursors were hydrothermally treated at 200 degrees C in a 10 M NaOH solution. Vacuum drying of the precursor seemingly promoted the formation of Ti-O-Ti bonds in the hydrothermal end-product. The low Ba:Ti ratio (0.66) of the alkoxide-route prepared precursor lead to a multi-phase hydrothermal product with BaTiO(3) as the main phase. In contrast, phase pure BaTiO(3), i.e. without BaCO(3) contamination, was obtained for the precursor which was dried at room temperature. Cube-shaped and highly crystalline BaTiO(3) particles were observed by electron microscopy for the hydrothermally treated peroxo-hydroxide-route prepared precursor. (C) 2011 Elsevier Ltd and Techna Group S.r.l. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Barking | Editor | ||
Language | Wos | 000298766900083 | Publication Date | 2011-08-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0272-8842; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.986 | Times cited | 14 | Open Access | |
Notes | Approved ![]() |
Most recent IF: 2.986; 2012 IF: 1.789 | |||
Call Number | UA @ lucian @ c:irua:96263 | Serial | 1541 | ||
Permanent link to this record | |||||
Author | Özen, M.; Mertens, M.; Snijkers, F.; Van Tendeloo, G.; Cool, P. | ||||
Title | Texturing of hydrothermally synthesized BaTiO3 in a strong magnetic field by slip casting | Type | A1 Journal article | ||
Year | 2016 | Publication | Ceramics international | Abbreviated Journal | Ceram Int |
Volume | 42 | Issue | 42 | Pages | 5382-5390 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
Abstract | Barium titanate powder was processed by slip casting in a rotating strong magnetic field of 9.4 T. The orientation factor of the sintered compact was analyzed by the X-ray diffraction technique and the microstructure (grain-size) was analyzed by scanning electron microscope. The hydrothermally prepared barium titanate was used as matrix material and the molten-salt synthesized barium titanate, with a larger particle-size, was used as template for the templated grain-growth process. Addition of large template particles was observed to increase the orientation factor of the sintered cast (5 vol% loading). Template particles acted as starting grains for the abnormal grain-growth process and the average grain-size was increased after sintering. Increasing the solid loading (15 vol%) resulted in a similar orientation factor with a decrease of the average grain size by more than half. However, addition of templates to the 15 vol% cast had a negative effect on the orientation factor. The impingement of growing particles was stated as the primary cause of particle misorientation resulting in a low orientation factor after sintering. Different heating conditions were tested and it was determined that a slow heating rate gave the highest orientation factor, the smallest average grain-size and the highest relative density. (C) 2015 Elsevier Ltd and Techna Group S.r.l. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Barking | Editor | ||
Language | Wos | 000369460500098 | Publication Date | 2015-12-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0272-8842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.986 | Times cited | 11 | Open Access | |
Notes | Approved ![]() |
Most recent IF: 2.986 | |||
Call Number | UA @ lucian @ c:irua:132228 | Serial | 4260 | ||
Permanent link to this record | |||||
Author | Nerantzaki, M.; Filippousi, M.; Van Tendeloo, G.; Terzopoulou, Z.; Bikiaris, D.; Goudouri, O.M.; Detsch, R.; Grueenewald, A.; Boccaccini, A.R. | ||||
Title | Novel poly(butylene succinate) nanocomposites containing strontium hydroxyapatite nanorods with enhanced osteoconductivity for tissue engineering applications | Type | A1 Journal article | ||
Year | 2015 | Publication | Express polymer letters | Abbreviated Journal | Express Polym Lett |
Volume | 9 | Issue | 9 | Pages | 773-789 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Three series of poly(butylene succinate) (PBSu) nanocomposites containing 0.5, 1 and 2.5 wt% strontium hydroxyapatite [Sr-5(PO4)(3)OH] nanorods (SrHAp nrds) were prepared by in situ polymerisation. The structural effects of Sr-5(PO4)(3)OH nanorods, for the different concentrations, inside the polymeric matrix (PBSu), were studied through high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). HAADF-STEM measurements revealed that the SrHAp nanorods at low concentrations are dispersed inside the polymeric PBSu matrix while in 1 wt% some aggregates are formed. These aggregations affect the mechanical properties giving an enhancement for the concentration of 0.5 wt% SrHAp nrds in tensile strength, while a reduction is recorded for higher loadings of the nanofiller. Studies on enzymatic hydrolysis revealed that all nanocomposites present higher hydrolysis rates than neat PBSu, indicating that nanorods accelerate the hydrolysis degradation process. In vitro bioactivity tests prove that SrHAp nrds promote the formation of hydroxyapatite on the PBSu surface. All nanocomposites were tested also in relevant cell culture using osteoblast-like cells (MG-63) to demonstrate their biocompatibility showing SrHAp nanorods support cell attachment. | ||||
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Publisher | Budapest University of Technology and Economics Department of Polymer Engineering | Place of Publication | Budapest, Hungary | Editor | |
Language | Wos | 000357287800004 | Publication Date | 2015-06-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1788-618X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.983 | Times cited | 21 | Open Access | |
Notes | 262348 Esmi | Approved ![]() |
Most recent IF: 2.983; 2015 IF: 2.761 | ||
Call Number | c:irua:127009 | Serial | 2382 | ||
Permanent link to this record | |||||
Author | Barbier, M.; Vasilopoulos, P.; Peeters, F.M. | ||||
Title | Single-layer and bilayer graphene superlattices: collimation, additional Dirac points and Dirac lines | Type | A1 Journal article | ||
Year | 2010 | Publication | Philosophical transactions of the Royal Society : mathematical, physical and engineering sciences | Abbreviated Journal | Philos T R Soc A |
Volume | 368 | Issue | 1932 | Pages | 5499-5524 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We review the energy spectrum and transport properties of several types of one-dimensional superlattices (SLs) on single-layer and bilayer graphene. In single-layer graphene, for certain SL parameters an electron beam incident on an SL is highly collimated. On the other hand, there are extra Dirac points generated for other SL parameters. Using rectangular barriers allows us to find analytical expressions for the location of new Dirac points in the spectrum and for the renormalization of the electron velocities. The influence of these extra Dirac points on the conductivity is investigated. In the limit of δ-function barriers, the transmission T through and conductance G of a finite number of barriers as well as the energy spectra of SLs are periodic functions of the dimensionless strength P of the barriers, Graphic, with vF the Fermi velocity. For a KronigPenney SL with alternating sign of the height of the barriers, the Dirac point becomes a Dirac line for P = π/2+nπ with n an integer. In bilayer graphene, with an appropriate bias applied to the barriers and wells, we show that several new types of SLs are produced and two of them are similar to type I and type II semiconductor SLs. Similar to single-layer graphene SLs, extra Dirac points are found in bilayer graphene SLs. Non-ballistic transport is also considered. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000283660000011 | Publication Date | 2010-11-01 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1364-503X;1471-2962; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.97 | Times cited | 64 | Open Access | |
Notes | ; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the Canadian NSERC through grant no. OGP0121756. ; | Approved ![]() |
Most recent IF: 2.97; 2010 IF: 2.459 | ||
Call Number | UA @ lucian @ c:irua:85597 | Serial | 3023 | ||
Permanent link to this record | |||||
Author | Monico, L.; Janssens, K.; Hendriks, E.; Brunetti, B.G.; Miliani, C. | ||||
Title | Raman study of different crystalline forms of PbCrO4 and PbCr1-xSxO4 solid solutions for the noninvasive identification of chrome yellows in paintings : a focus on works by Vincent van Gogh | Type | A1 Journal article | ||
Year | 2014 | Publication | Journal of Raman spectroscopy | Abbreviated Journal | J Raman Spectrosc |
Volume | 45 | Issue | 11-12 | Pages | 1034-1045 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Chrome yellows, a class of pigments frequently used by painters of the Impressionism and Post-impressionism period, are known for their different chemical stability; the latter depends on the chemical composition (PbCrO4, PbCr1-xSxO4) and crystalline structure (monoclinic or orthorhombic) of the material. The possibility to distinguish among different forms of this pigment is therefore relevant in order to extend knowledge on the corresponding degradation process that is observed on several original paintings. For this purpose, three paintings conserved at the Van Gogh Museum (Amsterdam) were analyzed using noninvasive Raman spectroscopy, while equivalent investigations employing bench-top instrumentation were performed to obtain information from micro-samples originating from these works of art. In each painting, the chrome yellow was identified either as monoclinic PbCrO4 or in the form of monoclinic PbCr1-xSxO4 (x<0.25) or S-rich orthorhombic PbCr1-xSxO4 (x similar to 0.5). Our ability to make this fairly subtle distinction is based on a Raman study of several oil paint model samples made up of monoclinic and/or orthorhombic crystalline forms of PbCrO4 and PbCr1-xSxO4 (0.1x0.8). These paints were studied using several excitation wavelengths (namely 785.0, 532.0, 514.5, and 488nm). Because of the absence of the resonance Raman effect, which strongly enhances the chromate symmetric stretching band, and the absence of any laser-induced photodecomposition, it is advantageous to acquire data at 785.0nm. The band-shape and the position of the chromate bending modes proved to be more sensitive to the solid solution composition and crystalline structure than the stretching modes and can be used as distinctive spectral markers to discriminate among the different chrome yellow forms that are present. Copyright (c) 2014 John Wiley & Sons, Ltd. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000346912700008 | Publication Date | 2014-07-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0377-0486 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.969 | Times cited | 34 | Open Access | |
Notes | ; This research was supported by Interuniversity Attraction Poles Programme – Belgian Science Policy (S2-ART project S4DA) and also presents results from GOA 'XANES meets ELNES' (Research Fund University of Antwerp, Belgium), FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. Support from the Italian projects PRIN (SICH Sustainability in Cultural Heritage: from diagnosis to the development of innovative system for consolidation, cleaning and protection) and PON (ITACHA Italian advanced technologies for cultural heritage applications) is also acknowledged. The analysis of the paintings Sunflowers gone to seed, Bank of the Seine, and Portrait of Gauguin was performed within the mobile laboratory access activity of the FP7 programme CHARISMA supported by EC (Grant Agreement 228330). LM acknowledges the Italian National Research Council (CNR) for the financial support in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Muriel Geldof, Cultural Heritage Agency of The Netherlands, for selecting and sharing the information on the cross-sections and to the staff of the Van Gogh Museum for the agreeable cooperation. ; | Approved ![]() |
Most recent IF: 2.969; 2014 IF: 2.671 | ||
Call Number | UA @ admin @ c:irua:122841 | Serial | 5798 | ||
Permanent link to this record | |||||
Author | Aibéo, C.L.; Goffin, S.; Schalm, O.; van der Snickt, G.; Laquière, N.; Eyskens, P.; Janssens, K. | ||||
Title | Micro-Raman analysis for the identification of pigments from 19th and 20th century paintings | Type | A1 Journal article | ||
Year | 2008 | Publication | Journal of Raman spectroscopy | Abbreviated Journal | J Raman Spectrosc |
Volume | 39 | Issue | 8 | Pages | 1091-1098 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | In this article, results using confocal µ-Raman to analyse the cross-section of paint samples are presented. Results obtained with light microscopy, scanning electron microscopy (SEM) combined with an energy dispersive X-ray analysis (EDX) and micro-X-ray fluorescence (µ-XRF) are mentioned and compared to the ones obtained with confocal (MRS). In some cases, pigment identification was possible only by combining analytical results from different techniques. The samples were drawn from five paintings belonging to the Academy of Fine Arts of Antwerp, which are part of a collection of 34 paintings made by students from the Academy between 1819 and 1920. Since, on the one hand, the painting techniques and materials, especially pigments, used in this period are still not completely known, and on the other hand, this collection constitutes a very important and reliable resource of information, these paintings were chosen for a systematic investigation. They represent the evolution of painting in Belgium over approximately a century. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000259242100020 | Publication Date | 2008-05-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0377-0486 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.969 | Times cited | 28 | Open Access | |
Notes | Approved ![]() |
Most recent IF: 2.969; 2008 IF: 3.526 | |||
Call Number | UA @ admin @ c:irua:74467 | Serial | 5716 | ||
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Author | Andrikopoulos, K.S.; Daniilia, S.; Roussel, B.; Janssens, K. | ||||
Title | In vitro validation of a mobile Raman-XRF micro-analytical instrument's capabilities on the diagnosis of Byzantine icons | Type | A1 Journal article | ||
Year | 2006 | Publication | Journal of Raman spectroscopy | Abbreviated Journal | J Raman Spectrosc |
Volume | 37 | Issue | 10 | Pages | 1026-1034 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000241209500010 | Publication Date | 2006-09-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0377-0486 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.969 | Times cited | 53 | Open Access | |
Notes | Approved ![]() |
Most recent IF: 2.969; 2006 IF: 2.133 | |||
Call Number | UA @ admin @ c:irua:60709 | Serial | 5742 | ||
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Author | Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R. | ||||
Title | Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential | Type | A1 Journal article | ||
Year | 2015 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 142 | Issue | 142 | Pages | 024902 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC. | ||||
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Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000348129700053 | Publication Date | 2015-01-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606;1089-7690; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 7 | Open Access | |
Notes | ; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ; | Approved ![]() |
Most recent IF: 2.965; 2015 IF: 2.952 | ||
Call Number | c:irua:123832 | Serial | 3267 | ||
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Author | Singh, S.K.; Neek-Amal, M.; Peeters, F.M. | ||||
Title | Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy | Type | A1 Journal article | ||
Year | 2014 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 140 | Issue | 7 | Pages | 074304-74309 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC. | ||||
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Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000332039900020 | Publication Date | 2014-02-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606;1089-7690; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 30 | Open Access | |
Notes | ; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; | Approved ![]() |
Most recent IF: 2.965; 2014 IF: 2.952 | ||
Call Number | UA @ lucian @ c:irua:115857 | Serial | 1002 | ||
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Author | Bal, K.M.; Neyts, E.C. | ||||
Title | On the time scale associated with Monte Carlo simulations | Type | A1 Journal article | ||
Year | 2014 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 141 | Issue | 20 | Pages | 204104 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general. | ||||
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Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000345641400005 | Publication Date | 2014-11-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606;1089-7690; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 26 | Open Access | |
Notes | Approved ![]() |
Most recent IF: 2.965; 2014 IF: 2.952 | |||
Call Number | UA @ lucian @ c:irua:120667 | Serial | 2459 | ||
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Author | Ang, F.; Van Passel, S.; Mathijs, E. | ||||
Title | An aggregate resource efficiency perspective on sustainability : a sustainable value application to the EU-15 countries | Type | A1 Journal article | ||
Year | 2011 | Publication | Ecological Economics | Abbreviated Journal | Ecol Econ |
Volume | 71 | Issue | Pages | 99-110 | |
Keywords | A1 Journal article; Economics | ||||
Abstract | The Sustainable Value approach integrates the efficiency with regard to environmental, social and economic resources into a monetary indicator. It gained significant popularity as evidenced by diverse applications at the corporate level. However, its introduction as a measure adhering to the strong sustainability paradigm sparked an ardent debate. This study explores its validity as a macroeconomic strong sustainability measure by applying the Sustainable Value approach to the EU-15 countries. Concretely, we assessed environmental, social and economic resources in combination with the GDP for all EU-15 countries from 1995 to 2006 for three benchmark alternatives. The results show that several countries manage to adequately delink resource use from GDP growth. Furthermore, the remarkable difference in outcome between the national and EU-15 benchmark indicates a possible inefficiency of the current allocation of national resource ceilings imposed by the European institutions. Additionally, by using an effects model we argue that the service degree of the economy and governmental expenditures on social protection and research and development are important determinants of overall resource efficiency. Finally, we sketch out three necessary conditions to link the Sustainable Value approach to the strong sustainability paradigm. (C) 2011 Elsevier B.V. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000297396700011 | Publication Date | 2011-09-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0921-8009; 1873-6106 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 12 | Open Access | |
Notes | ; ; | Approved ![]() |
Most recent IF: 2.965; 2011 IF: 2.713 | ||
Call Number | UA @ admin @ c:irua:127560 | Serial | 6151 | ||
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Author | Ang, F.; Van Passel, S. | ||||
Title | The sustainable value approach : a clarifying and constructive comment | Type | A1 Journal article | ||
Year | 2010 | Publication | Ecological Economics | Abbreviated Journal | Ecol Econ |
Volume | 69 | Issue | 12 | Pages | 2303-2306 |
Keywords | A1 Journal article; Economics | ||||
Abstract | Recently, the original benchmarking methodology of the Sustainable Value approach became subjected to serious debate. While Kuosmanen and Kuosmanen (2009b) critically question its validity introducing productive efficiency theory, Figge and Hahn (2009) put forward that the implementation of productive efficiency theory severely conflicts with the original financial economics perspective of the Sustainable Value approach. We argue that the debate is very confusing because the original Sustainable Value approach presents two largely incompatible objectives. Nevertheless, we maintain that both ways of benchmarking could provide useful and moreover complementary insights. If one intends to present the overall resource efficiency of the firm from the investor's viewpoint, we recommend the original benchmarking methodology. If one on the other hand aspires to create a prescriptive tool setting up some sort of reallocation scheme, we advocate implementation of the productive efficiency theory. Although the discussion on benchmark application is certainly substantial, we should avoid the debate to become accordingly narrowed. Next to the benchmark concern, we see several other challenges considering the development of the Sustainable Value approach: (1) a more systematic resource selection, (2) the inclusion of the value chain and (3) additional analyses related to policy in order to increase interpretative power. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000283700900001 | Publication Date | 2010-07-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0921-8009; 1873-6106 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 18 | Open Access | |
Notes | ; ; | Approved ![]() |
Most recent IF: 2.965; 2010 IF: 2.754 | ||
Call Number | UA @ admin @ c:irua:136760 | Serial | 6258 | ||
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Author | Verberck, B.; Vliegenthart, G.A.; Gompper, G. | ||||
Title | Orientational ordering in solid C60 fullerene-cubane | Type | A1 Journal article | ||
Year | 2009 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 130 | Issue | 15 | Pages | 154510,1-154510,14 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes. | ||||
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Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000265486300036 | Publication Date | 2009-04-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 8 | Open Access | |
Notes | Approved ![]() |
Most recent IF: 2.965; 2009 IF: 3.093 | |||
Call Number | UA @ lucian @ c:irua:77258 | Serial | 2519 | ||
Permanent link to this record |