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Author | Van Dijck, J.G.; Mampuys, P.; Ching, H.Y.V.; Krishnan, D.; Baert, K.; Hauffman, T.; Verbeeck, J.; Van Doorslaer, S.; Maes, B.U.W.; Dorbec, M.; Buekenhoudt, A.; Meynen, V. | ||||
Title | Synthesis – properties correlation and the unexpected role of the titania support on the Grignard surface modification | Type | A1 Journal article | ||
Year | 2020 | Publication | Applied Surface Science | Abbreviated Journal | Appl Surf Sci |
Volume | 527 | Issue ![]() |
Pages | 146851-17 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract | While the impact of reaction conditions on surface modification with Grignard reactants has been studied for silica supports, such information is absent for metal oxides like titania. Differences between modified titania and silica are observed, making it paramount to explore the reaction mechanism. A detailed study on the impact of the reaction conditions is reported, with a focus on the chain length of the alkyl Grignard reactant, its concentration, the reaction time and temperature, and the type of titania support. While the increase in the chain length reduces the amount of organic groups on the surface, the concentration, time and temperature show little/no influence on the modification degree. However, the type of titania support used and the percentage of amorphous phase present has a significant impact on the amount of grafted groups. Even though the temperature and concentration show no clear impact on the modification degree, they can cause changes in the surface hydroxyl population, which are thus not linked to the modification degree. Furthermore, the titania support is reduced during functionalization. This reduction dependents on the reaction temperature, the titania support and the chain length of the Grignard reactant. Similarly, this reduction is not linked to the modification degree. | ||||
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Language | Wos | 000564205300003 | Publication Date | 2020-06-03 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.7 | Times cited | 5 | Open Access | OpenAccess |
Notes | ; The FWO (Fonds Wetenschappelijk Onderzoek) is gratefully acknowledged for the VITO-FWO grant of fellow Jeroen G. Van Dijck (11W9416N) and the financial support granted in project GO12712N. The E.U. is acknowledged for H.Y. Vincent Ching's H2020-MSCA-IF (grant number 792946, iSPY). Dileep Krishnan and Johan Verbeeck acknowledge funding from GOA project “solarpaint” of the University of Antwerp. ; | Approved | Most recent IF: 6.7; 2020 IF: 3.387 | ||
Call Number | UA @ admin @ c:irua:169722 | Serial | 6712 | ||
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Author | Ding, L.; Zhao, M.; Ehlers, F.J.H.; Jia, Z.; Zhang, Z.; Weng, Y.; Schryvers, D.; Liu, Q.; Idrissi, H. | ||||
Title | “Branched” structural transformation of the L12-Al3Zr phase manipulated by Cu substitution/segregation in the Al-Cu-Zr alloy system | Type | A1 Journal article | ||
Year | 2024 | Publication | Journal of materials science & technology | Abbreviated Journal | Journal of Materials Science & Technology |
Volume | 185 | Issue ![]() |
Pages | 186-206 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The effect of Cu on the evolution of the Al3Zr phase in an Al-Cu-Zr cast alloy during solution treatment at 500 °C has been thoroughly studied by combining atomic resolution high-angle annular dark-field scanning transmission electron microscopy, energy-dispersive X-ray spectroscopy and first-principles cal- culations. The heat treatment initially produces a pure L12-Al3Zr microstructure, allowing for about 13 % Cu to be incorporated in the dispersoid. Cu incorporation increases the energy barrier for anti-phase boundary (APB) activation, thus stabilizing the L12 structure. Additional heating leads to a Cu-induced “branched”path for the L12 structural transformation, with the latter process accelerated once the first APB has been created. Cu atoms may either (i) be repelled by the APBs, promoting the transformation to a Cu-poor D023 phase, or (ii) they may segregate at one Al-Zr layer adjacent to the APB, promoting a transformation to a new thermodynamically favored phase, Al4CuZr, formed when these segregation layers are periodically arranged. Theoretical studies suggest that the branching of the L12 transformation path is linked to the speed at which an APB is created, with Cu attraction triggered by a comparatively slow process. This unexpected transformation behavior of the L12-Al3Zr phase opens a new path to understanding, and potentially regulating the Al3Zr dispersoid evolution for high temperature applications. | ||||
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Language | Wos | 001154261100001 | Publication Date | 2023-12-24 | |
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ISSN | 1005-0302 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 10.9 | Times cited | Open Access | Not_Open_Access | |
Notes | This work was supported by the National Key Research and Development Program (No. 2020YFA0405900), the National Natural Science Foundation of China (Grant No. 52371111 and U2141215 ), the Natural Science Foundation of Jiangsu Province (No. BE2022159 ). We are grateful to the High Performance Computing Center of Nanjing Tech University for supporting the computational resources. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR- FNRS). | Approved | Most recent IF: 10.9; 2024 IF: 2.764 | ||
Call Number | EMAT @ emat @c:irua:202392 | Serial | 8981 | ||
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Author | Van Everbroeck, T.; Wu, J.; Arenas-Esteban, D.; Ciocarlan, R.-G.; Mertens, M.; Bals, S.; Dujardin, C.; Granger, P.; Seftel, E.M.; Cool, P. | ||||
Title | ZnAl layered double hydroxide based catalysts (with Cu, Mn, Ti) used as noble metal-free three-way catalysts | Type | A1 Journal article | ||
Year | 2022 | Publication | Applied clay science | Abbreviated Journal | Appl Clay Sci |
Volume | 217 | Issue ![]() |
Pages | 106390 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
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Language | Wos | 000795870100004 | Publication Date | 2022-01-02 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0169-1317 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.6 | Times cited | 6 | Open Access | OpenAccess |
Notes | The authors acknowledge financial support by theEuropean Union’s Horizon 2020 Project Partial-PGMs (H2020-NMP-686086). R-G C. and P.C. acknowledge the FWO-Flanders (project no. G038215N) for financial support. S⋅B and D.A.E thank the financial support of the European Research Council (ERC-CoG-2019 815128). The authors are grateful to Johnson Matthey, UK, for supplying the commercial benchmark catalysts; realnano; sygmaSB | Approved | Most recent IF: 5.6 | ||
Call Number | EMAT @ emat @c:irua:186956 | Serial | 6955 | ||
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Author | Bogaerts, A.; Neyts, E.C.; Guaitella, O.; Murphy, A.B. | ||||
Title | Foundations of plasma catalysis for environmental applications | Type | A1 Journal article | ||
Year | 2022 | Publication | Plasma Sources Science & Technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | Issue ![]() |
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Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Plasma catalysis is gaining increasing interest for various applications, but the underlying mechanisms are still far from understood. Hence, more fundamental research is needed to understand these mechanisms. This can be obtained by both modelling and experiments. This foundations paper describes the fundamental insights in plasma catalysis, as well as efforts to gain more insights by modelling and experiments. Furthermore, it discusses the state-of-the-art of the major plasma catalysis applications, as well as successes and challenges of technology transfer of these applications. | ||||
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Language | Wos | 000804396200001 | Publication Date | 2022-03-21 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0963-0252 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.8 | Times cited | Open Access | OpenAccess | |
Notes | H2020 Marie Skłodowska-Curie Actions, 823745 ; H2020 European Research Council, 810182 ; We acknowldege financial support from the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation programme (Grant Agreement No. 810182 – SCOPE ERC Synergy project) and the European Union’s Horizon 2020 Research and Innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 813393 (PIONEER). | Approved | Most recent IF: 3.8 | ||
Call Number | PLASMANT @ plasmant @c:irua:188539 | Serial | 7070 | ||
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Author | Andersen, Ja.; van 't Veer, K.; Christensen, Jm.; Østberg, M.; Bogaerts, A.; Jensen, Ad. | ||||
Title | Ammonia decomposition in a dielectric barrier discharge plasma: Insights from experiments and kinetic modeling | Type | A1 Journal article | ||
Year | 2023 | Publication | Chemical engineering science | Abbreviated Journal | |
Volume | 271 | Issue ![]() |
Pages | 118550 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Utilizing ammonia as a storage medium for hydrogen is currently receiving increased attention. A possible method to retrieve the hydrogen is by plasma-catalytic decomposition. In this work, we combined an experimental study, using a dielectric barrier discharge plasma reactor, with a plasma kinetic model, to get insights into the decomposition mechanism. The experimental results revealed a similar effect on the ammonia conversion when changing the flow rate and power, where increasing the specific energy input (higher power or lower flow rate) gave an increased conversion. A conversion as high as 82 % was achieved at a specific energy input of 18 kJ/Nl. Furthermore, when changing the discharge volume from 31 to 10 cm3, a change in the plasma distribution factor from 0.2 to 0.1 was needed in the model to best describe the conversions of the experiments. This means that a smaller plasma volume caused a higher transfer of energy through micro-discharges (non-uniform plasma), which was found to promote the decomposition of ammonia. These results indicate that it is the collisions between NH3 and the high-energy electrons that initiate the decomposition. Moreover, the rate of ammonia destruction was found by the model to be in the order of 1022 molecules/(cm3 s) during the micro-discharges, which is 5 to 6 orders of magnitude higher than in the afterglows. A considerable re-formation of ammonia was found to take place in the afterglows, limiting the overall conversion. In addition, the model revealed that implementation of packing material in the plasma introduced high concentrations of surface-bound hydrogen atoms, which introduced an additional ammonia re-formation pathway through an Eley-Rideal reaction with gas phase NH2. Furthermore, a more uniform plasma is predicted in the presence of MgAl2O4, which leads to a lower average electron energy during micro-discharges and a lower conversion (37 %) at a comparable residence time for the plasma alone (51 %). | ||||
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Language | Wos | 000946293200001 | Publication Date | 2023-02-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0009-2509 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.7 | Times cited | Open Access | OpenAccess | |
Notes | We thank Topsoe A/S for providing the packing material used, the research group PLASMANT (UAntwerpen) for sharing their plasma kinetic model and allowing us to perform the calculations on their clusters, and the Department of Chemical and Biochemical Engineering, Technical University of Denmark, for funding this project. | Approved | Most recent IF: 4.7; 2023 IF: 2.895 | ||
Call Number | PLASMANT @ plasmant @c:irua:195204 | Serial | 7237 | ||
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Author | Živanić, M.; Espona‐Noguera, A.; Lin, A.; Canal, C. | ||||
Title | Current State of Cold Atmospheric Plasma and Cancer‐Immunity Cycle: Therapeutic Relevance and Overcoming Clinical Limitations Using Hydrogels | Type | A1 Journal article | ||
Year | 2023 | Publication | Advanced Science | Abbreviated Journal | Adv Sci |
Volume | Issue ![]() |
Pages | 2205803 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Cold atmospheric plasma (CAP) is a partially ionized gas that gains attention as a well-tolerated cancer treatment that can enhance anti-tumor immune responses, which are important for durable therapeutic effects. This review offers a comprehensive and critical summary on the current understanding of mechanisms in which CAP can assist anti-tumor immunity: induction of immunogenic cell death, oxidative post-translational modifications of the tumor and its microenvironment, epigenetic regulation of aberrant gene expression, and enhancement of immune cell functions. This should provide a rationale for the effective and meaningful clinical implementation of CAP. As discussed here, despite its potential, CAP faces different clinical limitations associated with the current CAP treatment modalities: direct exposure of cancerous cells to plasma, and indirect treatment through injection of plasma-treated liquids in the tumor. To this end, a novel modality is proposed: plasma-treated hydrogels (PTHs) that can not only help overcome some of the clinical limitations but also offer a convenient platform for combining CAP with existing drugs to improve therapeutic responses and contribute to the clinical translation of CAP. Finally, by integrating expertise in biomaterials and plasma medicine, practical considerations and prospective for the development of PTHs are offered. |
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Language | Wos | 000918224200001 | Publication Date | 2023-01-20 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2198-3844 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 15.1 | Times cited | Open Access | OpenAccess | |
Notes | European Research Council, 714793 ; Fonds Wetenschappelijk Onderzoek, 12S9221N G044420N ; Ministerio de Economía y Competitividad, PID2019‐103892RB‐I00/AEI/10.13039/501100011033 ; | Approved | Most recent IF: 15.1; 2023 IF: 9.034 | ||
Call Number | PLASMANT @ plasmant @c:irua:193166 | Serial | 7238 | ||
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Author | Benedet, M.; Andrea Rizzi, G.; Gasparotto, A.; Gauquelin, N.; Orekhov, A.; Verbeeck, J.; Maccato, C.; Barreca, D. | ||||
Title | Functionalization of graphitic carbon nitride systems by cobalt and cobalt-iron oxides boosts solar water oxidation performances | Type | A1 Journal article | ||
Year | 2023 | Publication | Applied surface science | Abbreviated Journal | |
Volume | 618 | Issue ![]() |
Pages | 156652 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The ever-increasing energy demand from the world population has made the intensive use of fossil fuels an overarching threat to global environment and human health. An appealing alternative is offered by sunlight-assisted photoelectrochemical water splitting to yield carbon-free hydrogen fuel, but kinetic limitations associated to the oxygen evolution reaction (OER) render the development of cost-effective, eco-friendly and stable electrocatalysts an imperative issue. In the present work, OER catalysts based on graphitic carbon nitride (g-C3N4) were deposited on conducting glass substrates by a simple decantation procedure, followed by functionalization with low amounts of nanostructured CoO and CoFe2O4 by radio frequency (RF)-sputtering, and final annealing under inert atmosphere. A combination of advanced characterization tools was used to investigate the interplay between material features and electrochemical performances. The obtained results highlighted the formation of a p-n junction for the g-C3N4-CoO system, whereas a Z-scheme junction accounted for the remarkable performance enhancement yielded by g-C3N4-CoFe2O4. The intimate contact between the system components also afforded an improved electrocatalyst stability in comparison to various bare and functionalized g-C3N4-based systems. These findings emphasize the importance of tailoring g-C3N4 chemico-physical properties through the dispersion of complementary catalysts to fully exploit its applicative potential. | ||||
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Language | Wos | 000950654300001 | Publication Date | 2023-02-04 | |
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ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.7 | Times cited | 11 | Open Access | OpenAccess |
Notes | The authors gratefully acknowledge financial support from CNR (Progetti di Ricerca @CNR – avviso 2020 – ASSIST), Padova University (P-DiSC#04BIRD2020-UNIPD EUREKA, DOR 2020–2022), AMGA Foundation (NYMPHEA project), INSTM Consortium (INSTM21PDGASPAROTTO – NANOMAT, INSTM21PDBARMAC – ATENA) and the European Union's Horizon 2020 research and innovation program under grant agreement No 823717 – ESTEEM3. The FWO-Hercules fund G0H4316N 'Direct electron detector for soft matter TEM' is also acknowledged. Many thanks are due to Prof. Luca Gavioli (Università Cattolica del Sacro Cuore, Brescia, Italy) and Dr. Riccardo Lorenzin (Department of Chemical Sciences, Padova University, Italy) for their invaluable technical support.; esteem3reported; esteem3TA | Approved | Most recent IF: 6.7; 2023 IF: 3.387 | ||
Call Number | EMAT @ emat @c:irua:196150 | Serial | 7376 | ||
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Author | Mary Joy, R.; Pobedinskas, P.; Bourgeois, E.; Chakraborty, T.; Görlitz, J.; Herrmann, D.; Noël, C.; Heupel, J.; Jannis, D.; Gauquelin, N.; D'Haen, J.; Verbeeck, J.; Popov, C.; Houssiau, L.; Becher, C.; Nesládek, M.; Haenen, K. | ||||
Title | Germanium vacancy centre formation in CVD nanocrystalline diamond using a solid dopant source | Type | A3 Journal article | ||
Year | 2023 | Publication | Science talks | Abbreviated Journal | Science Talks |
Volume | 5 | Issue ![]() |
Pages | 100157 | |
Keywords | A3 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2023-02-09 | ||
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Series Volume | Series Issue | Edition | |||
ISSN | 2772-5693 | ISBN | Additional Links | UA library record | |
Impact Factor | Times cited | Open Access | OpenAccess | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | EMAT @ emat @c:irua:196969 | Serial | 8791 | ||
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Author | Tampieri, F.; Espona-Noguera, A.; Labay, C.; Ginebra, M.-P.; Yusupov, M.; Bogaerts, A.; Canal, C. | ||||
Title | Does non-thermal plasma modify biopolymers in solution? A chemical and mechanistic study for alginate | Type | A1 Journal Article | ||
Year | 2023 | Publication | Biomaterials Science | Abbreviated Journal | |
Volume | Issue ![]() |
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Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | In the last decades, non-thermal plasma has been extensively investigated as a relevant tool for various biomedical applications, ranging from tissue decontamination to regeneration and from skin treatment to tumor therapies. This high versatility is due to the different kinds and amount of reactive oxygen and nitrogen species that can be generated during a plasma treatment and put in contact with the biological target. Some recent studies report that solutions of biopolymers with the ability to generate hydrogels, when treated with plasma, can enhance the generation of reactive species and influence their stability, resulting thus in the ideal media for indirect treatments of biological targets. The direct effects of the plasma treatment on the structure of biopolymers in water solution, as well as the chemical mechanisms responsible for the enhanced generation of RONS, are not yet fully understood. In this study, we aim at filling this gap by investigating, on the one hand, the nature and extent of the modifications induced by plasma treatment in alginate solutions, and, on the other hand, at using this information to explain the mechanisms responsible for the enhanced generation of reactive species as a consequence of the treatment. The approach we use is twofold: (i) investigating the effects of plasma treatment on alginate solutions, by size exclusion chromatography, rheology and scanning electron microscopy and (ii) study of a molecular model (glucuronate) sharing its chemical structure, by chromatography coupled with mass spectrometry and by molecular dynamics simulations. Our results point out the active role of the biopolymer chemistry during direct plasma treatment. Short-lived reactive species, such as OH radicals and O atoms, can modify the polymer structure, affecting its functional groups and causing partial fragmentation. Some of these chemical modifications, like the generation of organic peroxide, are likely responsible for the secondary generation of long-lived reactive species such as hydrogen peroxide and nitrite ions. This is relevant in view of using biocompatible hydrogels as vehicles for storage and delivery reactive species for targeted therapies. | ||||
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Language | Wos | 000973699000001 | Publication Date | 2023-04-11 | |
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ISSN | 2047-4830 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.6 | Times cited | Open Access | Not_Open_Access | |
Notes | Agència de Gestió d’Ajuts Universitaris i de Recerca, SGR2022-1368 ; H2020 European Research Council, 714793 ; European Cooperation in Science and Technology, CA19110 CA20114 ; Secretaría de Estado de Investigación, Desarrollo e Innovación, PID2019-103892RB-I00/AEI/10.13039/501100011033 ; We thank Gonzalo Rodríguez Cañada and Xavier Solé-Martí (Universitat Politècnica de Catalunya) for help in collecting some of the experimental data and for the useful discussions. This work has been primarily funded by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 714793). The authors acknowledge MINECO for PID2019103892RB-I00/AEI/10.13039/501100011033 project (CC). The authors belong to SGR2022-1368 (FT, AEN, CL, MPG, CC) and acknowledge Generalitat de Catalunya for the ICREA Academia Award for Excellence in Research of CC. We thank also COST Actions CA20114 (Therapeutical Applications of Cold Plasmas) and CA19110 (Plasma Applications for Smart and Sustainable Agriculture) for the stimulating environment provided. | Approved | Most recent IF: 6.6; 2023 IF: 4.21 | ||
Call Number | PLASMANT @ plasmant @c:irua:196773 | Serial | 8794 | ||
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Author | Meng, S.; Li, S.; Sun, S.; Bogaerts, A.; Liu, Y.; Yi, Y. | ||||
Title | NH3 decomposition for H2 production by thermal and plasma catalysis using bimetallic catalysts | Type | A1 Journal article | ||
Year | 2024 | Publication | Chemical engineering science | Abbreviated Journal | Chemical Engineering Science |
Volume | 283 | Issue ![]() |
Pages | 119449 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Plasma catalysis has emerged as a promising approach for driving thermodynamically unfavorable chemical reactions. Nevertheless, comprehending the mechanisms involved remains a challenge, leading to uncertainty about whether the optimal catalyst in plasma catalysis aligns with that in thermal catalysis. In this research, we explore this question by studying monometallic catalysts (Fe, Co, Ni and Mo) and bimetallic catalysts (Fe-Co, Mo- Co, Fe-Ni and Mo-Ni) in both thermal catalytic and plasma catalytic NH3 decomposition. Our findings reveal that the Fe-Co bimetallic catalyst exhibits the highest activity in thermal catalysis, the Fe-Ni bimetallic catalyst outperforms others in plasma catalysis, indicating a discrepancy between the optimal catalysts for the two catalytic modes in NH3 decomposition. Comprehensive catalyst characterization, kinetic analysis, temperature program surface reaction experiments and plasma diagnosis are employed to discuss the key factors influencing NH3 decomposition performance. |
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Language | Wos | 001105312500001 | Publication Date | 2023-10-28 | |
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ISSN | 0009-2509 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.7 | Times cited | Open Access | Not_Open_Access | |
Notes | Universiteit Antwerpen, 32249 ; National Natural Science Foundation of China, 21503032 ; PetroChina Innovation Foundation, 2018D-5007-0501 ; | Approved | Most recent IF: 4.7; 2024 IF: 2.895 | ||
Call Number | PLASMANT @ plasmant @c:irua:201009 | Serial | 8967 | ||
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Author | de la Croix, T.; Claes, N.; Eyley, S.; Thielemans, W.; Bals, S.; De Vos, D. | ||||
Title | Heterogeneous Pt-catalyzed transfer dehydrogenation of long-chain alkanes with ethylene | Type | A1 Journal Article | ||
Year | 2023 | Publication | Catalysis Science & Technology | Abbreviated Journal | Catal. Sci. Technol. |
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Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
Abstract | The dehydrogenation of long-chain alkanes to olefins and alkylaromatics is a challenging endothermic reaction, typically requiring harsh conditions which can lead to low selectivity and coking. More favorable thermodynamics can be achieved by using a hydrogen acceptor, such as ethylene. In this work, the potential of heterogeneous platinum catalysts for the transfer dehydrogenation of long-chain alkanes is investigated, using ethylene as a convenient hydrogen acceptor. Pt/C and Pt–Sn/C catalysts were prepared<italic>via</italic>a simple polyol method and characterized with CO pulse chemisorption, HAADF-STEM, and EDX measurements. Conversion of ethylene was monitored<italic>via</italic>gas-phase FTIR, and distribution of liquid products was analyzed<italic>via</italic>GC-FID, GC-MS, and 1H-NMR. Compared to unpromoted Pt/C, Sn-promoted catalysts show lower initial reaction rates, but better resistance to catalyst deactivation, while increasing selectivity towards alkylaromatics. Both reaction products and ethylene were found to inhibit the reaction significantly. At 250 °C for 22 h, TON up to 28 and 86 mol per mol Pt were obtained for Pt/C and PtSn<sub>2</sub>/C, respectively, with olefin selectivities of 94% and 53%. The remaining products were mainly unbranched alkylaromatics. These findings show the potential of simple heterogeneous catalysts in alkane transfer dehydrogenation, for the preparation of valuable olefins and alkylaromatics, or as an essential step in various tandem reactions. | ||||
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Language | Wos | 001104905100001 | Publication Date | 2023-11-09 | |
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ISSN | 2044-4753 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 5 | Times cited | Open Access | OpenAccess | |
Notes | T. de la Croix gratefully acknowledges the support of the Flanders Research Foundation (FWO) under project 11F6622N. D. De Vos is grateful to FWO for support of project G0D3721N, and to KU Leuven for the iBOF project 21/016/C3. S. Bals and N. Claes acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grant No. 815128- REALNANO). W. Thielemans and S. Eyley thank KU Leuven (grant C14/18/061) and FWO (G0A1219N) for financial support. | Approved | Most recent IF: 5; 2023 IF: 5.773 | ||
Call Number | EMAT @ emat @c:irua:201010 | Serial | 8968 | ||
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Author | Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Van Aert, S.; Bals, S.; Pavan, G.M. | ||||
Title | Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning | Type | A1 Journal article | ||
Year | 2024 | Publication | Advanced Science | Abbreviated Journal | |
Volume | Issue ![]() |
Pages | 1-13 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic-resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state-of-the-art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark-field scanning transmission electron microscopy enables the acquisition of ten high-resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allow resolving the real-time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. Experimental and computational techniques are bridged to unveil atomic dynamics in gold nanoparticles (NPs), using annular dark-field scanning transmission electron microscopy and molecular dynamics simulations informed by machine learning. The approach provides unprecedented insights into the real-time structural behaviors of NPs, merging state-of-the-art techniques to accurately characterize their dynamics under realistic conditions. image | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001206888000001 | Publication Date | 2024-04-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2198-3844 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 15.1 | Times cited | Open Access | ||
Notes | This work was supported by the funding received by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 818776- DYNAPOL, no. 770887 PICOMETRICS and no. 815128 REALNANO). The authors also acknowledge the computational resources provided by the Swiss National Supercomputing Center (CSCS), by CINECA, and the Research Foundation Flanders (FWO, Belgium) G.0346.21N. | Approved | Most recent IF: 15.1; 2024 IF: 9.034 | ||
Call Number | UA @ admin @ c:irua:205442 | Serial | 9171 | ||
Permanent link to this record | |||||
Author | Cao, S.; Tirry, W.; van den Broek, W.; Schryvers, D. | ||||
Title | 3D reconstruction of Ni4Ti3 precipitates in a Ni51Ti49 alloy in a FIB/SEM dual-beam system | Type | A1 Journal article | ||
Year | 2008 | Publication | Materials science forum | Abbreviated Journal | |
Volume | 583 | Issue ![]() |
Pages | 277-284 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
Abstract | Ni4Ti3 precipitates play an important role in the shape memory and superelastic behaviour of thermo-mechanically treated Ni-Ti material. The 3D morphology and distribution of such precipitates with lenticular shape and rhombohedral atomic structure in the austenitic B2 matrix of a binary Ni-rich Ni-Ti alloy has been elucidated via a slice view procedure in a Dual-Beam FIB/SEM system. With the sequence of cross-section SE images obtained from the SEM, a 3D reconstruction has been achieved after proper alignment and image processing, from which both qualitative and quantitative analysis can be performed. Careful imaging is needed to ensure that all variants of the precipitates are observed with equal probability, regardless sample orientation. Moreover, due to the weak contrast of the precipitates, proper imaging conditions need to be selected to allow for semi-automated image treatment. Finally, a volume ratio of 10.2% for the Ni4Ti3 precipitates could be calculated, summed over all variants, which yields a net composition of Ni50.36Ti49.64 for the matrix, leading to an increase of 113 degrees for the martensitic start temperature Ms. Also, the expected relative orientation of the different variants of the precipitates could be confirmed. In the near future, other quantitative measures on the distribution of the precipitates can be expected. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | Publication Date | 2009-03-11 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1662-9752; | ISBN | Additional Links | UA library record | |
Impact Factor | Times cited | Open Access | |||
Notes | Multimat; Fwo | Approved | Most recent IF: NA | ||
Call Number | UA @ lucian @ c:irua:77454 | Serial | 16 | ||
Permanent link to this record | |||||
Author | Geuens, I.; Nys, B.; Gijbels, R.; Jacob, W. | ||||
Title | Application of neural networks in image analysis: the classification of geometrical shapes | Type | A3 Journal article | ||
Year | 1993 | Publication | CC-AI: the journal for the integrated study of artificial intelligence, cognitive science and applied epistemology | Abbreviated Journal | |
Volume | 10 | Issue ![]() |
Pages | 61-68 | |
Keywords | A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 0000-00-00 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | ISBN | Additional Links | UA library record | ||
Impact Factor | Times cited | Open Access | |||
Notes | Approved | MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 # | |||
Call Number | UA @ lucian @ c:irua:6164 | Serial | 141 | ||
Permanent link to this record | |||||
Author | Helm, M.; Hilber, W.; Fromherz, T.; Peeters, F.M.; Alavi, K.; Pathak, R.N. | ||||
Title | Bloch and localized electrons in semiconductor superlattices | Type | A1 Journal article | ||
Year | 1994 | Publication | Semiconductor science and technology | Abbreviated Journal | Semicond Sci Tech |
Volume | 9 | Issue ![]() |
Pages | 1989-1993 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | A1994PT27100023 | Publication Date | 2002-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0268-1242;1361-6641; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.19 | Times cited | 1 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:9370 | Serial | 244 | ||
Permanent link to this record | |||||
Author | Buschmann, V.; Schryvers, D.; van Landuyt, J.; van Roost, C.; de Keyzer, R. | ||||
Title | A comparative investigation of replication techniques used for the study of (S+Au) sensitized AgBr microcrystals | Type | A1 Journal article | ||
Year | 1996 | Publication | The journal of imaging science and technology | Abbreviated Journal | J Imaging Sci Techn |
Volume | 40 | Issue ![]() |
Pages | 189-201 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Springfield, Va | Editor | ||
Language | Wos | A1996VL09200003 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1062-3701 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 0.349 | Times cited | 4 | Open Access | |
Notes | Approved | MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 # | |||
Call Number | UA @ lucian @ c:irua:15428 | Serial | 418 | ||
Permanent link to this record | |||||
Author | Adriaensen, L.; Vangaever, F.; Gijbels, R. | ||||
Title | A comparative study of carbocyanine dyes measured with TOF-SIMS and other mass spectrometric techniques | Type | A1 Journal article | ||
Year | 2004 | Publication | Applied surface science | Abbreviated Journal | Appl Surf Sci |
Volume | 231/232 | Issue ![]() |
Pages | 348-352 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000222427700067 | Publication Date | 2004-04-29 | |
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 | 7 | Open Access | |
Notes | Approved | Most recent IF: 3.387; 2004 IF: 1.497 | |||
Call Number | UA @ lucian @ c:irua:46802 | Serial | 420 | ||
Permanent link to this record | |||||
Author | Bogaerts, A. | ||||
Title | Comprehensive modelling network for dc glow discharges in argon | Type | A1 Journal article | ||
Year | 1999 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 8 | Issue ![]() |
Pages | 210-229 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Institute of Physics | Place of Publication | Bristol | Editor | |
Language | Wos | 000080660600004 | Publication Date | 2002-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0963-0252;1361-6595; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 27 | Open Access | |
Notes | Approved | Most recent IF: 3.302; 1999 IF: 2.038 | |||
Call Number | UA @ lucian @ c:irua:24129 | Serial | 451 | ||
Permanent link to this record | |||||
Author | Herregods, S.J.F.; Mertens, M.; Van Havenbergh, K.; Van Tendeloo, G.; Cool, P.; Buekenhoudt, A.; Meynen, V. | ||||
Title | Controlling pore size and uniformity of mesoporous titania by early stage low temperature stabilization | Type | A1 Journal article | ||
Year | 2013 | Publication | Journal of colloid and interface science | Abbreviated Journal | J Colloid Interf Sci |
Volume | 391 | Issue ![]() |
Pages | 36-44 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
Abstract | The control of the formation process during and after self-assembly is of utmost importance to achieve well structured, controlled template-assisted mesoporous titania materials with the desired properties for various applications via the evaporation induced self-assembly method (EISA). The present paper reports on the large influence of the thermal stabilization and successive template removal on the pore structure of a mesostructured TiO2 material using the diblock copolymer Brij 58 as surfactant. A controlled thermal stabilization (temperature and duration) allows one to tailor the final pore size and uniformity much more precise by influencing the self-assembly of the template. Moreover, also the successive thermal template removal needs to be controlled in order to avoid a structural collapse. N2-sorption, TGA, TEM, FT-Raman spectroscopy, and small angle wide angle XRD have been used to follow the crystal growth and mesostructure organization after thermal stabilization and after thermal template removal, revealing its effect on the final pore structure. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000312039000006 | Publication Date | 2012-10-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9797; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.233 | Times cited | 12 | Open Access | |
Notes | Approved | Most recent IF: 4.233; 2013 IF: 3.552 | |||
Call Number | UA @ lucian @ c:irua:101757 | Serial | 506 | ||
Permanent link to this record | |||||
Author | Evans, T.; Kiflawi, I.; Luyten, W.; Van Tendeloo, G.; Woods, G.S. | ||||
Title | Conversion of platelets into dislocation loops and voidite formation in type IaB diamonds | Type | A1 Journal article | ||
Year | 1995 | Publication | Proceedings of the Royal Society of London: series A: mathematical and physical sciences | Abbreviated Journal | P Roy Soc A-Math Phy |
Volume | 449 | Issue ![]() |
Pages | 295-313 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | A1995QY10100007 | Publication Date | 2006-12-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1364-5021;1471-2946; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.192 | Times cited | 32 | Open Access | |
Notes | Approved | COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 # | |||
Call Number | UA @ lucian @ c:irua:13314 | Serial | 513 | ||
Permanent link to this record | |||||
Author | Tso, H.C.; Vasilopoulos, P.; Peeters, F.M. | ||||
Title | Coupled electron-hole transport: generalized random-phase approximation and density functional theory | Type | A1 Journal article | ||
Year | 1994 | Publication | Surface science : a journal devoted to the physics and chemistry of interfaces | Abbreviated Journal | Surf Sci |
Volume | 305 | Issue ![]() |
Pages | 400-404 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1994ND67400076 | Publication Date | 2002-10-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0039-6028; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.925 | Times cited | 5 | Open Access | |
Notes | Approved | PHYSICS, APPLIED 47/145 Q2 # | |||
Call Number | UA @ lucian @ c:irua:9380 | Serial | 535 | ||
Permanent link to this record | |||||
Author | Jacques, P.; Verbist, K.; Lapin, J.; Ryelandt, L.; Van Tendeloo, G.; Delannay, F. | ||||
Title | Critical assessment of the process of growth of a YBa2Cu3O7-\delta layer on Y2BaCuO5 | Type | A1 Journal article | ||
Year | 1996 | Publication | Superconductor science and technology | Abbreviated Journal | Supercond Sci Tech |
Volume | 9 | Issue ![]() |
Pages | 176-183 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Bristol | Editor | ||
Language | Wos | A1996TZ48100008 | Publication Date | 2002-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-2048;1361-6668; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.325 | Times cited | 1 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:15462 | Serial | 539 | ||
Permanent link to this record | |||||
Author | van Landuyt, J.; Van Tendeloo, G.; Amelinckx, S.; Zhang, X.F.; Zhang, X.B.; Luyten, W. | ||||
Title | Crystallography of fullerites and related graphene textures | Type | A1 Journal article | ||
Year | 1994 | Publication | Materials science forum | Abbreviated Journal | |
Volume | 150/151 | Issue ![]() |
Pages | 53-64 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | A1994BC12F00004 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0255-5476; 1662-9752 | ISBN | Additional Links | UA library record; WoS full record; | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:10001 | Serial | 590 | ||
Permanent link to this record | |||||
Author | Van Tendeloo, G.; Hervieu, M.; Chaillout, C. | ||||
Title | Defect structure of Hg-based ceramic superconductors (invited) | Type | P1 Proceeding | ||
Year | 1994 | Publication | Sciences | Abbreviated Journal | |
Volume | Issue ![]() |
Pages | 949-952 | ||
Keywords | P1 Proceeding; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Editions physique | Place of Publication | Les ulis | Editor | |
Language | Wos | A1994BE09Y00462 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2-86883-226-1 | ISBN | Additional Links | UA library record; WoS full record; | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:95940 | Serial | 621 | ||
Permanent link to this record | |||||
Author | Ignatova, V.A.; Conard, T.; Möller, W.; Vandervorst, W.; Gijbels, R. | ||||
Title | Depth profiling of ZrO2/SiO2/Si stacks : a TOF-SIMS and computer simulation study | Type | A1 Journal article | ||
Year | 2004 | Publication | Applied surface science | Abbreviated Journal | Appl Surf Sci |
Volume | 231/232 | Issue ![]() |
Pages | 603-608 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | This study is dedicated to a better understanding of the processes occurring under ion bombardment of ultra-thin ZrO2/SiO2/Si gate dielectric stacks. Complex-shaped depth profiles were obtained by using TOF-SIMS with dual beam (500 eV for sputtering and 10 keV for analysis) Ar+ ions. The SIMS intensities of all the elements depend critically on the amount of oxygen at any moment of the sputtering process. Increased intensity is observed at the surface and at the ZrO2/SiO2 interface. A long tail of the Zr signal is present in the Si substrate, even after the second (SiO2/Si) interface, and a double bump structure in the Zr-90 and ZrO dimer is observed, which is more pronounced with increasing thickness of the interfacial SiO2 layer. Computer simulations using the dynamic Monte Carlo code (TRIDYN) are performed in order to distinguish the ion bombardment-induced effects from changes in the ionization degree. The original code is extended with simple models for the ionization mechanism and for the molecular yield during sputtering. Oxygen preferential sputtering at the surface and ballistic transport of Zr towards and through the interface are clearly demonstrated, but there is also evidence that due to recoil implantation oxygen gets piled-up near the ZrO2/SiO2 interface. (C) 2004 Elsevier B.V. All rights reserved. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000222427700118 | Publication Date | 2004-05-30 | |
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; 2004 IF: 1.497 | |||
Call Number | UA @ lucian @ c:irua:51976 | Serial | 651 | ||
Permanent link to this record | |||||
Author | Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. | ||||
Title | Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide | Type | A1 Journal article | ||
Year | 2014 | Publication | Computational materials science | Abbreviated Journal | Comp Mater Sci |
Volume | 95 | Issue ![]() |
Pages | 579-591 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A reactive ReaxFF force field is developed for studying the influence of intrinsic point defects on the chemistry with TiO2 condensed phases. The force field parameters are optimized to ab initio data for the equations of state, relative phase stabilities for titanium and titanium dioxide, potential energy differences for (TiO2)n-clusters (n = 116). Also data for intrinsic point defects in anatase were added. These data contain formation energies for interstitial titanium and oxygen vacancies, diffusion barriers of the oxygen vacancies and molecular oxygen adsorption on a reduced anatase (101) surface. Employing the resulting force field, we study the influence of concentration of oxygen vacancies and expansion or compression of an anatase surface on the diffusion of the oxygen vacancies. Also the barrier for oxygen diffusion in the subsurface region is evaluated using this force field. This diffusion barrier of 27.7 kcal/mol indicates that the lateral redistribution of oxygen vacancies on the surface and in the subsurface will be dominated by their diffusion in the subsurface, since both this barrier as well as the barriers for diffusion from the surface to the subsurface and vice versa (17.07 kcal/mol and 21.91 kcal/mol, respectively, as calculated with DFT), are significantly lower than for diffusion on the surface (61.12 kcal/mol as calculated with DFT). | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000343781700077 | Publication Date | 2014-09-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0927-0256; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.292 | Times cited | 15 | Open Access | |
Notes | Approved | Most recent IF: 2.292; 2014 IF: 2.131 | |||
Call Number | UA @ lucian @ c:irua:119409 | Serial | 682 | ||
Permanent link to this record | |||||
Author | Leadley, D.R.; Nicholas, R.J.; Singleton, J.; Xu, W.; Peeters, F.M.; Devreese, J.T.; van Bockstal, L.; Herlach, F.; Perenboom, J.A.A.J.; Harris, J.J.; Foxon, C.T. | ||||
Title | Disappearance of magnetophonon resonance at high magnetic fields in GaAs-GaAlAs heterojunctions | Type | A1 Journal article | ||
Year | 1994 | Publication | Surface science : a journal devoted to the physics and chemistry of interfaces | Abbreviated Journal | Surf Sci |
Volume | 305 | Issue ![]() |
Pages | 327-331 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1994ND67400061 | Publication Date | 2002-10-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0039-6028; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.925 | Times cited | 1 | Open Access | |
Notes | Approved | ||||
Call Number | UA @ lucian @ c:irua:9280 | Serial | 728 | ||
Permanent link to this record | |||||
Author | Wang, X.; Amin-Ahmadi, B.; Schryvers, D.; Verlinden, B.; Van Humbeeck, J. | ||||
Title | Effect of annealing on the transformation behavior and mechanical properties of two nanostructured Ti-50.8at.%Ni thin wires produced by different methods | Type | A1 Journal article | ||
Year | 2013 | Publication | Materials science forum | Abbreviated Journal | |
Volume | 738/739 | Issue ![]() |
Pages | 306-310 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A Ti-50.8at.%Ni wire produced using a co-drawing method and a commercial Ti-50.8at.%Ni wire were annealed at different temperatures between 450°C and 700°C. Grains with diameter less than 100nm were revealed by transmission electron microscopy for both wires before annealing treatment. However, the microstructural heterogeneity of the co-drawn wire is more obvious than that of the commercial wire. Multi-stage martensitic transformation was observed in the co-drawn wire, compared with the one-stage A↔M transformation in the commercial wire after annealing at 600°C for 30min. The differences of total elongation, plateau strain and pseudoelastic recoverable strain between the commercial wire and the co-drawn wire were also observed. The differences of the transformation behavior and mechanical properties between the commercial wire and the co-drawn wire are attributed to the microstructural difference between these two wires. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000316089000055 | Publication Date | 2013-03-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1662-9752; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 5 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:104691 | Serial | 798 | ||
Permanent link to this record | |||||
Author | Amin-Ahmadi, B.; Idrissi, H.; Galceran, M.; Colla, M.S.; Raskin, J.P.; Pardoen, T.; Godet, S.; Schryvers, D. | ||||
Title | Effect of deposition rate on the microstructure of electron beam evaporated nanocrystalline palladium thin films | Type | A1 Journal article | ||
Year | 2013 | Publication | Thin solid films : an international journal on the science and technology of thin and thick films | Abbreviated Journal | Thin Solid Films |
Volume | 539 | Issue ![]() |
Pages | 145-150 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The influence of the deposition rate on the formation of growth twins in nanocrystalline Pd films deposited by electron beam evaporation is investigated using transmission electron microscopy. Statistical measurements prove that twin boundary (TB) density and volume fraction of grains containing twins increase with increasing deposition rate. A clear increase of the dislocation density was observed for the highest deposition rate of 5 Å/s, caused by the increase of the internal stress building up during deposition. Based on crystallographic orientation indexation using transmission electron microscopy, it can be concluded that a {111} crystallographic texture increases with increasing deposition rate even though the {101} crystallographic texture remains dominant. Most of the TBs are fully coherent without any residual dislocations. However, for the highest deposition rate (5 Å/s), the coherency of the TBs decreases significantly as a result of the interaction of lattice dislocations emitted during deposition with the growth TBs. The analysis of the grain boundary character of different Pd films shows that an increasing fraction of high angle grain boundaries with misorientation angles around 5565° leads to a higher potential for twin formation. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000321111100025 | Publication Date | 2013-05-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0040-6090; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.879 | Times cited | 13 | Open Access | |
Notes | Fwo | Approved | Most recent IF: 1.879; 2013 IF: 1.867 | ||
Call Number | UA @ lucian @ c:irua:109268 | Serial | 807 | ||
Permanent link to this record | |||||
Author | E. Zaghi, A.; Buffière, M.; Koo, J.; Brammertz, G.; Batuk, M.; Verbist, C.; Hadermann, J.; Kim, W.K.; Meuris, M.; Poortmans, J.; Vleugels, J.; | ||||
Title | Effect of selenium content of CuInSex alloy nanopowder precursors on recrystallization of printed CuInSe2 absorber layers during selenization heat treatment | Type | A1 Journal article | ||
Year | 2014 | Publication | Thin solid films : an international journal on the science and technology of thin and thick films | Abbreviated Journal | Thin Solid Films |
Volume | Issue ![]() |
Pages | 1-7 | ||
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Polycrystalline CuInSe2 semiconductors are efficient light absorber materials for thin film solar cell technology, whereas printing is one of the promising low cost and non-vacuum approaches for the fabrication of thin film solar cells. The printed precursors are transformed into a dense polycrystalline CuInSe2 semiconductor film via thermal treatment in ambient selenium atmosphere (selenization). In this study, the effect of the selenium content in high purity mechanically synthesized CuInSex (x = 2, 1.5, 1 or 0.5) alloy precursors on the recrystallization of the CuInSe2 phase during the selenization process was investigated. The nanostructure and phase variation of CuInSex nanopowders were investigated by different characterization techniques. The recrystallization process of the 12 μm thick CuInSex coatings into the CuInSe2 phase during selenization in selenium vapor was investigated via in-situ high temperature X-ray diffraction. The CuInSex precursors with lower selenium content showed a more pronounced phase conversion into CuInSe2 compared to the higher selenium content CuInSex precursors. Moreover, the CuInSex (x = 0.5 and 1) precursor resulted in a denser polycrystalline CuInSe2 semiconductor film with larger crystals. This could be attributed to a more intensive atomic interdiffusion within the CuInSex precursor system compared to a CuInSe2 phase precursor, and the formation of intermediate CuSe and CuSe2 fluxing phases during selenization. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000352225900004 | Publication Date | 2014-10-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0040-6090; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.879 | Times cited | 7 | Open Access | |
Notes | Approved | Most recent IF: 1.879; 2014 IF: 1.759 | |||
Call Number | c:irua:121330 | Serial | 834 | ||
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