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| Author | Spaeth, P.; Adhikari, S.; Heyvaert, W.; Zhuo, X.; Garcia, I.; Liz-Marzan, L.M.; Bals, S.; Orrit, M.; Albrecht, W. | ||||
| Title | Photothermal circular dichroism measurements of single chiral gold nanoparticles correlated with electron tomography | Type | A1 Journal article | ||
| Year | 2022 | Publication | ACS Photonics | Abbreviated Journal  |
Acs Photonics |
| Volume | 9 | Issue | 12 | Pages | 3995-4004 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Chemically synthesized metal nanoparticles with morphological chiral features are known to exhibit strong circular dichroism. However, we still lack understanding of the correlation between morphological and chiroptical features of plasmonic nanoparticles. To shed light on that question, single nanoparticle experiments are required. We performed photothermal circular dichroism measurements of single chiral and achiral gold nanoparticles and correlated the chiroptical response to the 3D morphology of the same nanoparticles retrieved by electron tomography. In contrast to an ensemble measurement, we show that individual particles within the ensemble display a broad distribution of strength and handedness of circular dichroism signals. Whereas obvious structural chiral features, such as helical wrinkles, translate into chiroptical ones, nanoparticles with less obvious chiral morphological features can also display strong circular dichroism signals. Interestingly, we find that even seemingly achiral nanoparticles can display large g-factors. The origin of this circular dichroism signal is discussed in terms of plasmonics and other potentially relevant factors. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000884432100001 | Publication Date | 2022-11-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2330-4022 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7 | Times cited | 5 | Open Access | OpenAccess |
| Notes | This work was supported by The Netherlands Organisation for Scientific Research (NWO) as part of the Open Technology Program (OTP, Project No. 16008) and by a Spinoza prize (M.O.) . W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 Program (Grant No. 797153, SOPMEN) . L.M.L.M. acknowledges funding from MCIN/AEI/10.13039/501100011033 (Grants PID2020-117779RB-I00 and MDM-2017-0720) . We thank Dr. Wolfgang L?fer for providing optical equipment. We also acknowledge the European Soft Matter Infrastructure (EUSMI: E201200468) . | Approved | Most recent IF: 7 | ||
| Call Number | UA @ admin @ c:irua:192098 | Serial | 7331 | ||
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| Author | Teymourian, H.; Parrilla, M.; Sempionatto, J.R.; Montiel, N.F.; Barfidokht, A.; Van Echelpoel, R.; De Wael, K.; Wang, J. | ||||
| Title | Wearable Electrochemical Sensors for the Monitoring and Screening of Drugs | Type | A1 Journal article | ||
| Year | 2020 | Publication | Acs Sensors | Abbreviated Journal |
Acs Sensors |
| Volume | 5 | Issue | 9 | Pages | 2679-2700 |
| Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Wearable electrochemical sensors capable of noninvasive monitoring of chemical markers represent a rapidly emerging digital-health technology. Recent advances toward wearable continuous glucose monitoring (CGM) systems have ignited tremendous interest in expanding such sensor technology to other important fields. This article reviews for the first time wearable electrochemical sensors for monitoring therapeutic drugs and drugs of abuse. This rapidly emerging class of drug-sensing wearable devices addresses the growing demand for personalized medicine, toward improved therapeutic outcomes while minimizing the side effects of drugs and the related medical expenses. Continuous, noninvasive monitoring of therapeutic drugs within bodily fluids empowers clinicians and patients to correlate the pharmacokinetic properties with optimal outcomes by realizing patient-specific dose regulation and tracking dynamic changes in pharmacokinetics behavior while assuring the medication adherence of patients. Furthermore, wearable electrochemical drug monitoring devices can also serve as powerful screening tools in the hands of law enforcement agents to combat drug trafficking and support on-site forensic investigations. The review covers various wearable form factors developed for noninvasive monitoring of therapeutic drugs in different body fluids and toward on-site screening of drugs of abuse. The future prospects of such wearable drug monitoring devices are presented with the ultimate goals of introducing accurate real-time drug monitoring protocols and autonomous closed-loop platforms toward precise dose regulation and optimal therapeutic outcomes. Finally, current unmet challenges and existing gaps are discussed for motivating future technological innovations regarding personalized therapy. The current pace of developments and the tremendous market opportunities for such wearable drug monitoring platforms are expected to drive intense future research and commercialization efforts. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000573560800003 | Publication Date | 2020-09-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2379-3694 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.9 | Times cited | Open Access | ||
| Notes | Horizon 2020 Framework Programme, 833787 ; Center of Wearable Sensors, University of California San Diego; | Approved | Most recent IF: 8.9; 2020 IF: NA | ||
| Call Number | AXES @ axes @c:irua:170894 | Serial | 6436 | ||
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| Author | Blidar, A.; Trashin, S.; Carrion, E.N.; Gorun, S.M.; Cristea, C.; De Wael, K. | ||||
| Title | Enhanced photoelectrochemical detection of an analyte triggered by its concentration by a singlet oxygen-generating fluoro photosensitizer | Type | A1 Journal article | ||
| Year | 2020 | Publication | Acs Sensors | Abbreviated Journal |
Acs Sensors |
| Volume | 5 | Issue | 11 | Pages | 3501-3509 |
| Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | The use of a photocatalyst (photosensitizer) which produces singlet oxygen instead of enzymes for oxidizing analytes creates opportunities for designing cost-efficient and sensitive photoelectrochemical sensors. We report that perfluoroisopropyl-substituted zinc phthalocyanine (F64PcZn) interacts specifically with a complex phenolic compound, the antibiotic rifampicin (RIF), but not with hydroquinone or another complex phenolic compound, the antibiotic doxycycline. The specificity is imparted by the selective preconcentration of RIF in the photocatalytic layer, as revealed by electrochemical and optical measurements, complemented by molecular modeling that confirms the important role of a hydrophobic cavity formed by the iso-perfluoropropyl groups of the photocatalyst. The preconcentration effect favorably enhances the RIF photoelectrochemical detection limit as well as sensitivity to nanomolar (ppb) concentrations, LOD = 7 nM (6 ppb) and 2.8 A.M-1.cm(-2), respectively. The selectivity to RIF, retained in the photosensitizer layer, is further enhanced by the selective removal of all unretained phenols via simple washing of the electrodes with pure buffer. The utility of the sensor for analyzing municipal wastewater was demonstrated. This first demonstration of enhanced selectivity and sensitivity due to intrinsic interactions of a molecular photocatalyst (photosensitizer) with an analyte, without use of a biorecognition element, may allow the design of related, robust, simple, and viable sensors. | ||||
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| Language | Wos | 000595550100021 | Publication Date | 2020-10-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2379-3694 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.9 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 8.9; 2020 IF: NA | |||
| Call Number | UA @ admin @ c:irua:176057 | Serial | 7913 | ||
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| Author | Queralto, A.; Graf, D.; Frohnhoven, R.; Fischer, T.; Vanrompay, H.; Bals, S.; Bartasyte, A.; Mathur, S. | ||||
| Title | LaFeO3 nanofibers for high detection of sulfur-containing gases | Type | A1 Journal article | ||
| Year | 2019 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal |
Acs Sustain Chem Eng |
| Volume | 7 | Issue | 7 | Pages | 6023-6032 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Lanthanum ferrite nanofibers were electrospun from a chemical sol and calcined at 600 degrees C to obtain singlephase LaFeO3 (LFO) perovskite. High-resolution transmission electron microscopy in conjunction with 3D tomographic analysis confirmed an interwoven network of hollow and porous (surface) LFO nanofibers. Owing to their high surface area and p-type behavior, the nanofiber meshes showed high chemoselectivity toward reducing toxic gases (SO2, H2S) that could be reproducibly detected at very low concentrations (<1 ppm), well below the threshold values for occupational safety and health. An increased sensitivity was observed in the temperature range of 150-300 degrees C with maximum sensor response at 250 degrees C. The surface reaction at the heterogeneous solid (LFO)/gas (SO2) interface that confirmed the formation of La-2(SO4)(3) was investigated by X-ray photoelectron spectroscopy. Moreover, the LFO fibers showed a high selectivity in the detection of oxidizing and reducing gases. Whereas superior detection of NH3 and H2S was measured, little response was observed for CO and NO2. Finally, the integration of nanowire meshes in commercial sensor platforms was successfully demonstrated. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000461978200047 | Publication Date | 2019-02-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.951 | Times cited | 41 | Open Access | OpenAccess |
| Notes | ; The authors kindly acknowledge the ERA.Net RUS Plus project FONSENS funded by the German Federal Ministry of Education and Research (BMBF) under the grant no. 01DJ16017. A.Q. highly appreciates the support of the Alexander von Humboldt Foundation (grant no. AVH 1184642) and the BMBF for his postdoctoral fellowship. A.Q., D.G., R.F., T.F., and S.M. also kindly acknowledge the financial support of the University of Cologne. H.V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). We also express our gratitude to Prof. Dr. J. Hadermann from the Electron Microscopy for Materials Science group at the University of Antwerp for her assistance. A.B. is grateful for the EUR EIPHI program (grant no. ANR-17-EURE-0002). ; | Approved | Most recent IF: 5.951 | ||
| Call Number | UA @ admin @ c:irua:158535 | Serial | 5263 | ||
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| Author | Engelmann, Y.; Mehta, P.; Neyts, E.C.; Schneider, W.F.; Bogaerts, A. | ||||
| Title | Predicted Influence of Plasma Activation on Nonoxidative Coupling of Methane on Transition Metal Catalysts | Type | A1 Journal article | ||
| Year | 2020 | Publication | Acs Sustainable Chemistry & Engineering | Abbreviated Journal |
Acs Sustain Chem Eng |
| Volume | 8 | Issue | 15 | Pages | 6043-6054 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT) | ||||
| Abstract | The combination of catalysis and nonthermal plasma holds promise for enabling difficult chemical conversions. The possible synergy between both depends strongly on the nature of the reactive plasma species and the catalyst material. In this paper, we show how vibrationally excited species and plasma-generated radicals interact with transition metal catalysts and how changing the catalyst material can improve the conversion rates and product selectivity. We developed a microkinetic model to investigate the impact of vibrational excitations and plasma-generated radicals on the nonoxidative coupling of methane over transition metal surfaces. We predict a significant increase in ethylene formation for vibrationally excited methane. Plasma-generated radicals have a stronger impact on the turnover frequencies with high selectivity toward ethylene on noble catalysts and mixed selectivity on non-noble catalysts. In general, we show how the optimal catalyst material depends on the desired products as well as the plasma conditions. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000526884000025 | Publication Date | 2020-04-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.4 | Times cited | Open Access | ||
| Notes | Herculesstichting; University of Notre Dame; Universiteit Antwerpen; Division of Engineering Education and Centers, EEC-1647722 ; We would like to thank Tom Butterworth for his work on methane vibrational distribution functions (VDF) and for sharing his thoughts and experiences on this matter, specifically regarding the VDF of the degenerate modes of methane. We ACS Sustainable Chemistry & Engineering pubs.acs.org/journal/ascecg Research Article https://dx.doi.org/10.1021/acssuschemeng.0c00906 ACS Sustainable Chem. Eng. 2020, 8, 6043−6054 6052 also acknowledge financial support from the DOC-PRO3 and the TOP-BOF projects of the University of Antwerp. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and the University of Antwerp. Support for W.F.S. was provided by the National Science Foundation under cooperative agreement no. EEC-1647722, an Engineering Research Center for the Innovative and Strategic Transformation of Alkane Resources (CISTAR). P.M. acknowledges support through the Eilers Graduate Fellowship of the University of Notre Dame. | Approved | Most recent IF: 8.4; 2020 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:169228 | Serial | 6366 | ||
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| Author | Vervloessem, E.; Aghaei, M.; Jardali, F.; Hafezkhiabani, N.; Bogaerts, A. | ||||
| Title | Plasma-Based N2Fixation into NOx: Insights from Modeling toward Optimum Yields and Energy Costs in a Gliding Arc Plasmatron | Type | A1 Journal article | ||
| Year | 2020 | Publication | Acs Sustainable Chemistry & Engineering | Abbreviated Journal |
Acs Sustain Chem Eng |
| Volume | 8 | Issue | 26 | Pages | 9711-9720 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma technology provides a sustainable, fossil-free method for N2 fixation, i.e., the conversion of inert atmospheric N2 into valuable substances, such as NOx or ammonia. In this work, we present a novel gliding arc plasmatron at atmospheric pressure for NOx production at different N2/O2 gas feed ratios, offering a promising NOx yield of 1.5% with an energy cost of 3.6 MJ/mol NOx produced. To explain the underlying mechanisms, we present a chemical kinetics model, validated by experiments, which provides insight into the NOx formation pathways and into the ambivalent role of the vibrational kinetics. This allows us to pinpoint the factors limiting the yield and energy cost, which can help to further improve the process. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000548456600013 | Publication Date | 2020-07-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
| Notes | Herculesstichting; Universiteit Antwerpen; Vlaamse regering; H2020 European Research Council, 810182 ; N2 Applied; Excellence of Science FWO – FNRS project, 30505023 GoF9618n ; | Approved | Most recent IF: 8.4; 2020 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:170138 | Serial | 6392 | ||
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| Author | Gorbanev, Y.; Vervloessem, E.; Nikiforov, A.; Bogaerts, A. | ||||
| Title | Nitrogen fixation with water vapor by nonequilibrium plasma : toward sustainable ammonia production | Type | A1 Journal article | ||
| Year | 2020 | Publication | Acs Sustainable Chemistry & Engineering | Abbreviated Journal |
Acs Sustain Chem Eng |
| Volume | 8 | Issue | 7 | Pages | 2996-3004 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Ammonia is a crucial nutrient used for plant growth and as a building block in the pharmaceutical and chemical industry, produced via nitrogen fixation of the ubiquitous atmospheric N2. Current industrial ammonia production relies heavily on fossil resources, but a lot of work is put into developing nonfossil-based pathways. Among these is the use of nonequilibrium plasma. In this work, we investigated water vapor as a H source for nitrogen fixation into NH3 by nonequilibrium plasma. The highest selectivity toward NH3 was observed with low amounts of added H2O vapor, but the highest production rate was reached at high H2O vapor contents. We also studied the role of H2O vapor and of the plasma-exposed liquid H2O in nitrogen fixation by using isotopically labeled water to distinguish between these two sources of H2O. We show that added H2O vapor, and not liquid H2O, is the main source of H for NH3 generation. The studied catalyst- and H2-free method offers excellent selectivity toward NH3 (up to 96%), with energy consumption (ca. 95–118 MJ/mol) in the range of many plasma-catalytic H2-utilizing processes. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000516665500045 | Publication Date | 2020-02-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.4 | Times cited | 14 | Open Access | |
| Notes | ; This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), the Catalisti Moonshot project P2C, and the Methusalem project of the University of Antwerp. ; | Approved | Most recent IF: 8.4; 2020 IF: 5.951 | ||
| Call Number | UA @ admin @ c:irua:167134 | Serial | 6568 | ||
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| Author | Engelmann, Y.; van ’t Veer, K.; Gorbanev, Y.; Neyts, E.C.; Schneider, W.F.; Bogaerts, A. | ||||
| Title | Plasma Catalysis for Ammonia Synthesis: A Microkinetic Modeling Study on the Contributions of Eley–Rideal Reactions | Type | A1 Journal Article;Plasma catalysis | ||
| Year | 2021 | Publication | Acs Sustainable Chemistry & Engineering | Abbreviated Journal |
Acs Sustain Chem Eng |
| Volume | 9 | Issue | 39 | Pages | 13151-13163 |
| Keywords | A1 Journal Article;Plasma catalysis; Eley−Rideal reactions; Volcano plots; Vibrational excitation; Radical reactions; Dielectric barrier discharge; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Plasma catalysis is an emerging new technology for the electrification and downscaling of NH3 synthesis. Increasing attention is being paid to the optimization of plasma catalysis with respect to the plasma conditions, the catalyst material, and their mutual interaction. In this work we use microkinetic models to study how the total conversion process is impacted by the combination of different plasma conditions and transition metal catalysts. We study how plasma-generated radicals and vibrationally excited N2 (present in a dielectric barrier discharge plasma) interact with the catalyst and impact the NH3 turnover frequencies (TOFs). Both filamentary and uniform plasmas are studied, based on plasma chemistry models that provided plasma phase speciation and vibrational distribution functions. The Langmuir−Hinshelwood reaction rate coefficients (i.e., adsorption reactions and subsequent reactions among adsorbates) are determined using conventional scaling relations. An additional set of Eley−Rideal reactions (i.e., direct reactions of plasma radicals with adsorbates) was added and a sensitivity analysis on the assumed reaction rate coefficients was performed. We first show the impact of different vibrational distribution functions on the catalytic dissociation of N2 and subsequent production of NH3, and we gradually include more radical reactions, to illustrate the contribution of these species and their corresponding reaction pathways. Analysis over a large range of catalysts indicates that different transition metals (metals such as Rh, Ni, Pt, and Pd) optimize the NH3TOFs depending on the population of the vibrational levels of N2. At higher concentrations of plasma-generated radicals, the NH3 TOFs become less dependent on the catalyst material, due to radical adsorptions on the more noble catalysts and Eley−Rideal reactions on the less noble catalysts. | ||||
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| Language | Wos | 000705367800004 | Publication Date | 2021-10-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.951 | Times cited | Open Access | OpenAccess | |
| Notes | Basic Energy Sciences, DE-SC0021107 ; Vlaamse regering, HBC.2019.0108 ; H2020 European Research Council, 810182 ; Methusalem project – University of Antwerp; Excellence of science FWO-FNRS, GoF9618n ; TOP-BOF – University of Antwerp; DOCPRO3 – University of Antwerp; We acknowledge the financial support from the DOC-PRO3, the TOP-BOF, and the Methusalem project of the University of Antwerp, as well as from the European Research Council (ERC) (grant agreement No, 810182−SCOPE ERC Synergy project), under the European Union’s Horizon 2020 research and innovation programme, the Flemish Government through the Moonshot cSBO project P2C (HBC.2019.0108), and the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). Calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), 13162 | Approved | Most recent IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:182482 | Serial | 6811 | ||
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| Author | Zhang, Y.; Qin, S.; Claes, N.; Schilling, W.; Sahoo, P.K.; Ching, H.Y.V.; Jaworski, A.; Lemière, F.; Slabon, A.; Van Doorslaer, S.; Bals, S.; Das, S. | ||||
| Title | Direct Solar Energy-Mediated Synthesis of Tertiary Benzylic Alcohols Using a Metal-Free Heterogeneous Photocatalyst | Type | A1 Journal article | ||
| Year | 2022 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal |
Acs Sustain Chem Eng |
| Volume | 10 | Issue | 1 | Pages | 530-540 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Organic synthesis (ORSY) | ||||
| Abstract | Direct hydroxylation via the functionalization of tertiary benzylic C(sp3)-H bond is of great significance for obtaining tertiary alcohols which find wide applications in pharmaceuticals as well as in fine chemical industries. However, current synthetic procedures use toxic reagents and therefore, the development of a sustainable strategy for the synthesis of tertiary benzyl alcohols is highly desirable. To solve this problem, herein, we report a metal-free heterogeneous photocatalyst to synthesize the hydroxylated products using oxygen as the key reagent. Various benzylic substrates were employed into our mild reaction conditions to afford the desirable products in good to excellent yields. More importantly, gram-scale reaction was achieved via harvesting direct solar energy and exhibited high quantity of the product. The high stability of the catalyst was proved via recycling the catalyst and spectroscopic analyses. Finally, a possible mechanism was proposed based on the EPR and other experimental evidence. |
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| Language | Wos | 000736518000001 | Publication Date | 2022-01-10 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.4 | Times cited | 24 | Open Access | OpenAccess |
| Notes | We thank BOF joint PhD grant (to Y. Z.), Francqui Foundation and FWO research grant (to S.D.), Chinese Scholarship Council (to Y.Z.). A.S. would like to thank the Swedish Energy Agency for financial support (project nr: 5050-1). The SEM microscope was partly funded by the Hercules Fund from the Flemish Government. | Approved | Most recent IF: 8.4 | ||
| Call Number | EMAT @ emat @c:irua:184744 | Serial | 6900 | ||
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| Author | Li, S.; Sun, J.; Gorbanev, Y.; van’t Veer, K.; Loenders, B.; Yi, Y.; Kenis, T.; Chen, Q.; Bogaerts, A. | ||||
| Title | Plasma-Assisted Dry Reforming of CH4: How Small Amounts of O2Addition Can Drastically Enhance the Oxygenate Production─Experiments and Insights from Plasma Chemical Kinetics Modeling | Type | A1 Journal Article | ||
| Year | 2023 | Publication | ACS Sustainable Chemistry & Engineering | Abbreviated Journal |
ACS Sustainable Chem. Eng. |
| Volume | 11 | Issue | 42 | Pages | 15373-15384 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Plasma-based dry reforming of methane (DRM) into high-value-added oxygenates is an appealing approach to enable otherwise thermodynamically unfavorable chemical reactions at ambient pressure and near room temperature. However, it suffers from coke deposition due to the deep decomposition of CH4. In this work, we assess the DRM performance upon O2 addition, as well as varying temperature, CO2/CH4 ratio, discharge power, and gas residence time, for optimizing oxygenate production. By adding O2, the main products can be shifted from syngas (CO + H2) toward oxygenates. Chemical kinetics modeling shows that the improved oxygenate production is due to the increased concentration of oxygen-containing radicals, e.g., O, OH, and HO2, formed by electron impact dissociation [e + O2 → e + O + O/O(1D)] and subsequent reactions with H atoms. Our study reveals the crucial role of oxygen-coupling in DRM aimed at oxygenates, providing practical solutions to suppress carbon deposition and at the same time enhance the oxygenates production in plasma-assisted DRM. |
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| Language | Wos | 001082603900001 | Publication Date | 2023-10-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.4 | Times cited | Open Access | Not_Open_Access | |
| Notes | Fonds Wetenschappelijk Onderzoek, S001619N ; China Scholarship Council, 202006060029 ; National Natural Science Foundation of China, 21975018 ; H2020 European Research Council, 810182 ; | Approved | Most recent IF: 8.4; 2023 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:201013 | Serial | 8966 | ||
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| Author | Zhang, F.; Vanmeensel, K.; Batuk, M.; Hadermann, J.; Inokoshi, M.; Van Meerbeek, B.; Naert, I.; Vleugels, J. | ||||
| Title | Highly-translucent, strong and aging-resistant 3Y-TZP ceramics for dental restoration by grain boundary segregation | Type | A1 Journal article | ||
| Year | 2015 | Publication | Acta biomaterialia | Abbreviated Journal |
Acta Biomater |
| Volume | 16 | Issue | 16 | Pages | 215-222 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Latest trends in dental restorative ceramics involve the development of full-contour 3Y-TZP ceramics which can avoid chipping of veneering porcelains. Among the challenges are the low translucency and the hydrothermal stability of 3Y-TZP ceramics. In this work, different trivalent oxides (Al2O3, Sc2O3, Nd2O3 and La2O3) were selected to dope 3Y-TZP ceramics. Results show that dopant segregation was a key factor to design hydrothermally stable and high-translucent 3Y-TZP ceramics and the cation dopant radius could be used as a controlling parameter. A large trivalent dopant, oversized as compared to Zr4+, exhibiting strong segregation at the ZrO2 grain boundary was preferred. The introduction of 0.2 mol% La2O3 in conventional 0.10.25 wt.% Al2O3-doped 3Y-TZP resulted in an excellent combination of high translucency and superior hydrothermal stability, while retaining excellent mechanical properties. | ||||
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| Language | Wos | 000351978600021 | Publication Date | 2015-02-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1742-7061; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.319 | Times cited | 54 | Open Access | |
| Notes | Fwo G043110n | Approved | Most recent IF: 6.319; 2015 IF: 6.025 | ||
| Call Number | c:irua:124421 | Serial | 1473 | ||
| Permanent link to this record | |||||
| Author | Tian, H.; Schryvers, D.; Liu, D.; Jiang, Q.; van Humbeeck, J. | ||||
| Title | Stability of Ni in nitinol oxide surfaces | Type | A1 Journal article | ||
| Year | 2011 | Publication | Acta biomaterialia | Abbreviated Journal |
Acta Biomater |
| Volume | 7 | Issue | 2 | Pages | 892-899 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The stability of Ni in titanium oxide surface layers on nitinol wires known to release certain amounts of Ni was investigated by first principles density functional theory and transmission electron microscopy. The oxides were identified as a combination of TiO and TiO2 depending on the thickness of the layer. The calculations indicate that free Ni atoms can exist in TiO at ambient temperature while Ni particles form in TiO2, which was confirmed by the transmission electron microscopy observations. The results are discussed with respect to surface stability and Ni release due to free Ni atoms and Ni particles. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | S.l. | Editor | ||
| Language | Wos | 000286707700047 | Publication Date | 2010-09-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1742-7061; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.319 | Times cited | 39 | Open Access | |
| Notes | Fwo | Approved | Most recent IF: 6.319; 2011 IF: 4.865 | ||
| Call Number | UA @ lucian @ c:irua:85998 | Serial | 3128 | ||
| Permanent link to this record | |||||
| Author | Lobato Hoyos, I.P.; van Dyck, D. | ||||
| Title | An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints | Type | A1 Journal article | ||
| Year | 2014 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal |
Acta Crystallogr A |
| Volume | 70 | Issue | 6 | Pages | 636-649 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract | An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | 000344599300012 | Publication Date | 2014-10-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2053-2733; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.725 | Times cited | 19 | Open Access | |
| Notes | Approved | Most recent IF: 5.725; 2014 IF: NA | |||
| Call Number | UA @ lucian @ c:irua:122103 | Serial | 93 | ||
| Permanent link to this record | |||||
| Author | Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. | ||||
| Title | Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors | Type | A1 Journal article | ||
| Year | 2009 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal |
Acta Crystallogr A |
| Volume | 65 | Issue | 1 | Pages | 5-17 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | 000261799500002 | Publication Date | 2008-11-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7673; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.725 | Times cited | 51 | Open Access | |
| Notes | Fwo G.0425.05; Esteem 026019 | Approved | Most recent IF: 5.725; 2009 IF: 49.926 | ||
| Call Number | UA @ lucian @ c:irua:72918 | Serial | 453 | ||
| Permanent link to this record | |||||
| Author | Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J. | ||||
| Title | Graphene textures: tubules and whiskers related to fullerene crystallography | Type | A1 Journal article | ||
| Year | 1993 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal |
Acta Crystallogr A |
| Volume | 49 | Issue | Pages | 355 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7673 | ISBN | Additional Links | UA library record | |
| Impact Factor | 2.307 | Times cited | Open Access | ||
| Notes | Approved | no | |||
| Call Number | UA @ lucian @ c:irua:6842 | Serial | 1378 | ||
| Permanent link to this record | |||||
| Author | Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Mehbod, M.; Deltour, R. | ||||
| Title | The incommensurate structure of (Sr, Ca)14Cu24O41: a study by electron diffraction and high-resolution microscopy | Type | A1 Journal article | ||
| Year | 1992 | Publication | Acta crystallographica | Abbreviated Journal |
Acta Crystallogr A |
| Volume | A48 | Issue | Pages | 618-625 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | A1992JF29900028 | Publication Date | 2002-07-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7673; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.307 | Times cited | 22 | Open Access | |
| Notes | Approved | no | |||
| Call Number | UA @ lucian @ c:irua:4440 | Serial | 1595 | ||
| Permanent link to this record | |||||
| Author | Michel, K.H.; Lamoen, D.; David, W.I.F. | ||||
| Title | Orientational order and disorder in solid C60 : theory and diffraction experiments | Type | A1 Journal article | ||
| Year | 1995 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal |
Acta Crystallogr A |
| Volume | 51 | Issue | 3 | Pages | 365-374 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Starting from a microscope model of the intermolecular potential, a unified description is presented of the Bragg scattering law in the orientationally disordered and in the ordered phase of solid C-60. The orientational structure factor is expanded in terms of symmetry-adapted surface harmonics. The expansion coefficients are calculated from theory and compared with experiment Their temperature evolution is studied in the disordered phase at the 260 K transitions and in the ordered phase. In the ordered phase, new results from high-resolution neutron powder diffraction are given. In the disordered phase, space group Fm $($) over bar$$ 3m, the reflections have A(1g) symmetry; in the ordered phase, space group Pa $$($) over bar 3, reflections of T-2g symmetry appear and in addition the A(1g) reflections are renormalized. The orientational density distribution is calculated. The effective crystal-field potential is constructed, its temperature evolution in the ordered phase is studied and related to the occurrence of an orientational glass. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | A1995RB59400018 | Publication Date | 2002-07-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7673; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.307 | Times cited | 14 | Open Access | |
| Notes | Approved | CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 # | |||
| Call Number | UA @ lucian @ c:irua:12189 | Serial | 2518 | ||
| Permanent link to this record | |||||
| Author | Abakumov, A.M.; Shpanchenko, R.V.; Lebedev, O.I.; Van Tendeloo, G.; Amelinckx, S.; Antipov, E.V. | ||||
| Title | The phase transition and crystal structures of Ba3RM2O7.5 complex oxides (R=rare-earth elements, M = Al,Ga) | Type | A1 Journal article | ||
| Year | 1999 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal |
Acta Crystallogr A |
| Volume | 55 | Issue | Pages | 828-839 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | 000082727000006 | Publication Date | 2002-07-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7673; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.725 | Times cited | 7 | Open Access | |
| Notes | Approved | Most recent IF: 5.725; 1999 IF: 1.601 | |||
| Call Number | UA @ lucian @ c:irua:29716 | Serial | 2591 | ||
| Permanent link to this record | |||||
| Author | Richard, O.; Schuddinck, W.; Van Tendeloo, G.; Millange, F.; Hervieu, M.; Caignaert, C.; Raveau, B. | ||||
| Title | Room temperature and low-temperature structure of Nd1-xCaxMnO3 (0.3*x*0.5) | Type | A1 Journal article | ||
| Year | 1999 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal |
Acta Crystallogr A |
| Volume | 55 | Issue | Pages | 704-718 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | 000081697500013 | Publication Date | 2002-07-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7673; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.725 | Times cited | 24 | Open Access | |
| Notes | Approved | Most recent IF: 5.725; 1999 IF: 1.601 | |||
| Call Number | UA @ lucian @ c:irua:29715 | Serial | 2929 | ||
| Permanent link to this record | |||||
| Author | Krekels, T.; Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J. | ||||
| Title | Structural effects of element substitution in the CuO plane of the 1-2-3 YBCO superconductor | Type | A1 Journal article | ||
| Year | 1993 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal |
Acta Crystallogr A |
| Volume | 49 | Issue | Pages | 287 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | A1993KR35400006 | Publication Date | 0000-00-00 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7673 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.307 | Times cited | 56 | Open Access | |
| Notes | Approved | PHYSICS, APPLIED 28/145 Q1 # | |||
| Call Number | UA @ lucian @ c:irua:6840 | Serial | 3233 | ||
| Permanent link to this record | |||||
| Author | Milat, O.; Van Tendeloo, G.; van Landuyt, J.; Amelinckx, S. | ||||
| Title | Superlattice variants in Sr2CuO2(CO3): an electron microscopy study | Type | A1 Journal article | ||
| Year | 1993 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal |
Acta Crystallogr A |
| Volume | 49 | Issue | Pages | 357 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7673 | ISBN | Additional Links | UA library record | |
| Impact Factor | 2.307 | Times cited | Open Access | ||
| Notes | Approved | PHYSICS, APPLIED 28/145 Q1 # | |||
| Call Number | UA @ lucian @ c:irua:6841 | Serial | 3379 | ||
| Permanent link to this record | |||||
| Author | Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. | ||||
| Title | Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure | Type | A1 Journal article | ||
| Year | 2009 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal |
Acta Crystallogr A |
| Volume | 65 | Issue | Pages | 227-231 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We computed Debye-Waller factors in the temperature range from 0.1 to 1000 K for AlN, GaN, InN, ZnO and CdO with the wurtzite-type structure. The Debye-Waller factors were derived from phonon densities of states obtained from Hellmann-Feynman forces computed within the density-functional-theory formalism. The temperature dependences of the Debye-Waller factors were fitted and fit parameters are given. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | 000264927100006 | Publication Date | 2009-03-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7673; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.725 | Times cited | 23 | Open Access | |
| Notes | Fwo G.0425.05; Esteem 026019 | Approved | Most recent IF: 5.725; 2009 IF: 49.926 | ||
| Call Number | UA @ lucian @ c:irua:74565 | Serial | 3497 | ||
| Permanent link to this record | |||||
| Author | Hadermann, J.; Van Tendeloo, G.; Abakumov, A.M. | ||||
| Title | Transmission electron microscopy and structural phase transitions in anion-deficient perovskite-based oxides | Type | A1 Journal article | ||
| Year | 2005 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal |
Acta Crystallogr A |
| Volume | 61 | Issue | 1 | Pages | 77-92 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | 000225865500008 | Publication Date | 2004-12-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7673; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.725 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 5.725; 2005 IF: 1.791 | |||
| Call Number | UA @ lucian @ c:irua:51442 | Serial | 3706 | ||
| Permanent link to this record | |||||
| Author | Tirry, W.; Schryvers, D.; Jorissen, K.; Lamoen, D. | ||||
| Title | Electron-diffraction structure refinement of Ni4Ti3 precipitates in Ni52Ti48 | Type | A1 Journal article | ||
| Year | 2006 | Publication | Acta crystallographica: section B: structural science | Abbreviated Journal |
Acta Crystallogr B |
| Volume | 62 | Issue | 6 | Pages | 966-971 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | 000241992300003 | Publication Date | 2006-11-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7681; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 30 | Open Access | ||
| Notes | Fwo | Approved | Most recent IF: NA | ||
| Call Number | UA @ lucian @ c:irua:61578 | Serial | 923 | ||
| Permanent link to this record | |||||
| Author | Batuk, D.; Batuk, M.; Abakumov, A.M.; Hadermann, J. | ||||
| Title | Synergy between transmission electron microscopy and powder diffraction : application to modulated structures | Type | A1 Journal article | ||
| Year | 2015 | Publication | Acta crystallographica: section B: structural science | Abbreviated Journal |
Acta Crystallogr B |
| Volume | 71 | Issue | 71 | Pages | 127-143 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The crystal structure solution of modulated compounds is often very challenging, even using the well established methodology of single-crystal X-ray crystallography. This task becomes even more difficult for materials that cannot be prepared in a single-crystal form, so that only polycrystalline powders are available. This paper illustrates that the combined application of transmission electron microscopy (TEM) and powder diffraction is a possible solution to the problem. Using examples of anion-deficient perovskites modulated by periodic crystallographic shear planes, it is demonstrated what kind of local structural information can be obtained using various TEM techniques and how this information can be implemented in the crystal structure refinement against the powder diffraction data. The following TEM methods are discussed: electron diffraction (selected area electron diffraction, precession electron diffraction), imaging (conventional high-resolution TEM imaging, high-angle annular dark-field and annular bright-field scanning transmission electron microscopy) and state-of-the-art spectroscopic techniques (atomic resolution mapping using energy-dispersive X-ray analysis and electron energy loss spectroscopy). | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | 000352166500002 | Publication Date | 2015-04-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2052-5206; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.032 | Times cited | 11 | Open Access | |
| Notes | Fwo G039211n | Approved | Most recent IF: 2.032; 2015 IF: NA | ||
| Call Number | c:irua:124411 | Serial | 3408 | ||
| Permanent link to this record | |||||
| Author | Arakcheeva, A.; Pattison, P.; Chapuis, G.; Rossell, M.; Filaretov, A.; Morozov, V.; Van Tendeloo, G. | ||||
| Title | KSm(MoO4)2, an incommensurately modulated and partially disordered scheelite-like structure | Type | A1 Journal article | ||
| Year | 2008 | Publication | Acta crystallographica: section B: structural science | Abbreviated Journal |
Acta Crystallogr B |
| Volume | 64 | Issue | Part 2 | Pages | 160-171 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The incommensurately modulated scheelite-like KSm( MoO4)(2) structure has been refined in the monoclinic superspace group I2/b(alpha beta 0)00 by the Rietveld method on the basis of synchrotron radiation powder diffraction data. The systematic broadening of satellite reflections has been accounted for by applying anisotropic microstrain line-broadening. The microstructure has been studied by transmission electron microscopy (TEM). The partial disorder of the K and Sm cations in the A position is best approximated by a combination of harmonic and complex crenel functions with (0.952Sm + 0.048K) and (0.952K + 0.048Sm) atomic domains. This combination yields a compositional wave distribution from {KMoO4} to {SmMoO4} observed in the ab structure projection along q. The specific features of KSm(MoO4)(2) and degree of the A-cation ordering are discussed in comparison with the previously reported structure of KNd(MoO4)(2). | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | 000253992600004 | Publication Date | 2008-03-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0108-7681; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 23 | Open Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ lucian @ c:irua:102618 | Serial | 3539 | ||
| Permanent link to this record | |||||
| Author | Callaert, C.; Bercx, M.; Lamoen, D.; Hadermann, J. | ||||
| Title | Interstitial defects in the van der Waals gap of Bi2Se3 | Type | A1 Journal article | ||
| Year | 2019 | Publication | Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) | Abbreviated Journal |
Acta Crystallogr B |
| Volume | 75 | Issue | 4 | Pages | 717-732 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Bi<sub>2</sub>Se<sub>3</sub>is a thermoelectric material and a topological insulator. It is slightly conducting in its bulk due to the presence of defects and by controlling the defects different physical properties can be fine tuned. However, studies of the defects in this material are often contradicting or inconclusive. Here, the defect structure of Bi<sub>2</sub>Se<sub>3</sub>is studied with a combination of techniques: high-resolution scanning transmission electron microscopy (HR-STEM), high-resolution energy-dispersive X-ray (HR-EDX) spectroscopy, precession electron diffraction tomography (PEDT), X-ray diffraction (XRD) and first-principles calculations using density functional theory (DFT). Based on these results, not only the observed defects are discussed, but also the discrepancies in results or possibilities across the techniques. STEM and EDX revealed interstitial defects with mainly Bi character in an octahedral coordination in the van der Waals gap, independent of the applied sample preparation method (focused ion beam milling or cryo-crushing). The inherent character of these defects is supported by their observation in the structure refinement of the EDT data. Moreover, the occupancy probability of the defects determined by EDT is inversely proportional to their corresponding DFT calculated formation energies. STEM also showed the migration of some atoms across and along the van der Waals gap. The kinetic barriers calculated using DFT suggest that some paths are possible at room temperature, while others are most probably beam induced. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000480512600024 | Publication Date | 2019-08-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2052-5206 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.032 | Times cited | Open Access | ||
| Notes | University of Antwerp, 31445 ; Acknowledgements We thank Artem M. Abakumov for providing the original Bi2Se3 sample and are also very grateful to Christophe Vandevelde for trying repeatedly to get good single crystal X-ray diffraction data out of each of our failed attempts at making an undeformed single crystal. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. | Approved | Most recent IF: 2.032 | ||
| Call Number | EMAT @ emat @c:irua:161847 | Serial | 5295 | ||
| Permanent link to this record | |||||
| Author | Missen, O.P.; Mills, S.J.; Canossa, S.; Hadermann, J.; Nenert, G.; Weil, M.; Libowitzky, E.; Housley, R.M.; Artner, W.; Kampf, A.R.; Rumsey, M.S.; Spratt, J.; Momma, K.; Dunstan, M.A. | ||||
| Title | Polytypism in mcalpineite : a study of natural and synthetic Cu₃TeO₆ | Type | A1 Journal article | ||
| Year | 2022 | Publication | Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) | Abbreviated Journal |
Acta Crystallogr B |
| Volume | 78 | Issue | 1 | Pages | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Synthetic and naturally occurring forms of tricopper orthotellurate, (Cu3TeO6)-Te-II-O-IV (the mineral mcalpineite) have been investigated by 3D electron diffraction (3D ED), X-ray powder diffraction (XRPD), Raman and infrared (IR) spectroscopic measurements. As a result of the diffraction analyses, (Cu3TeO6)-Te-II-O-IV is shown to occur in two polytypes. The higher-symmetric (Cu3TeO6)-Te-II-O-IV-1C polytype is cubic, space group 1a (3) over bar, with a = 9.537 (1) angstrom and V = 867.4 (3) angstrom(3) as reported in previous studies. The 1C polytype is a well characterized structure consisting of alternating layers of (CuO6)-O-II octahedra and both (CuO6)-O-II and (TeO6)-O-VI octahedra in a patchwork arrangement. The structure of the lower-symmetric orthorhombic (Cu3TeO6)-Te-II-O-IV-2O polytype was determined for the first time in this study by 3D ED and verified by Rietveld refinement. The 2O polytype crystallizes in space group Pcca, with a = 9.745 (3) angstrom, b = 9.749 (2) angstrom, c = 9.771 (2) angstrom and V = 928.3 (4) angstrom(3) . High-precision XRPD data were also collected on (Cu3TeO6)-Te-II-O-IV-2O to verify the lower-symmetric structure by performing a Rietveld refinement. The resultant structure is identical to that determined by 3D ED, with unit-cell parameters a = 9.56157 (19) angstrom, b = 9.55853 (11) angstrom, c = 9.62891 (15) angstrom and V = 880.03 (2) angstrom(3) . The lower symmetry of the 2O polytype is a consequence of a different cation ordering arrangement, which involves the movement of every second (CuO6)-O-II and (TeO6)-O-VI octahedral layer by (1/4, 1/4, 0), leading to an offset of (TeO6)-O-VI and (CuO6)-O-II octahedra in every second layer giving an ABAB* stacking arrangement. Syntheses of (Cu3TeO6)-Te-II-O-IV showed that low-temperature (473 K) hydrothermal conditions generally produce the 2O polytype. XRPD measurements in combination with Raman spectroscopic analysis showed that most natural mcalpineite is the orthorhombic 2O polytype. Both XRPD and Raman spectroscopy measurements may be used to differentiate between the two polytypes of (Cu3TeO6)-Te-II-O-IV. In Raman spectroscopy, (Cu3TeO6)-Te-II-O-IV-1C has a single strong band around 730 cm(-1), whereas (Cu3TeO6)-Te-II-O-IV-2O shows a broad double maximum with bands centred around 692 and 742 cm(-1). | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000752899700003 | Publication Date | 2022-01-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2052-5206 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.9 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 1.9 | |||
| Call Number | UA @ admin @ c:irua:186529 | Serial | 6962 | ||
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| Author | Tirumalasetty, G.K.; van Huis, M.A.; Fang, C.M.; Xu, Q.; Tichelaar, F.D.; Hanlon, D.N.; Sietsma, J.; Zandbergen, H.W. | ||||
| Title | Characterization of NbC and (Nb, Ti)N nanoprecipitates in TRIP assisted multiphase steels | Type | A1 Journal article | ||
| Year | 2011 | Publication | Acta materialia | Abbreviated Journal |
Acta Mater |
| Volume | 59 | Issue | 19 | Pages | 7406-7415 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Multiphase steels utilising composite strengthening may be further strengthened via grain refinement or precipitation by the addition of microalloying elements. In this study a Nb microalloyed steel comprising martensite, bainite and retained austenite has been studied. By means of transmission electron microscopy (TEM) we have investigated the size distribution and the structural properties of (Nb, Ti)N and NbC precipitates, their occurrence in the various steel phases, and their relationship with the Fe matrix. (Nb, Ti)N precipitates were found in ferrite, martensite, and bainite, while NbC precipitates were found only in ferrite. All NbC precipitates were found to be small (520 nm in size) and to have a face centred cubic (fcc) crystal structure with lattice parameter a = 4.36 ± 0.05 Å. In contrast, the (Nb, Ti)N precipitates were found to have a broader size range (5150 nm) and to have a fcc crystal structure with lattice parameter a = 8.09 ± 0.05 Å. While the NbC precipitates were found to be randomly oriented, the (Nb, Ti)N precipitates have a well-defined NishiyamaWasserman orientation relationship with the ferrite matrix. An analysis of the lattice mismatch suggests that the latter precipitates have a high potential for effective strengthening. Density functional theory calculations were performed for various stoichiometries of NbCx and NbxTiyNz phases and the comparison with experimental data indicates that both the carbides and nitrides are deficient in C and N content. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000296405200026 | Publication Date | 2011-09-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-6454; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.301 | Times cited | 58 | Open Access | |
| Notes | Approved | Most recent IF: 5.301; 2011 IF: 3.755 | |||
| Call Number | UA @ lucian @ c:irua:93297 | Serial | 328 | ||
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| Author | Tirumalasetty, G.K.; van Huis, M.A.; Kwakernaak, C.; Sietsma, J.; Sloof, W.G.; Zandbergen, H.W. | ||||
| Title | Deformation-induced austenite grain rotation and transformation in TRIP-assisted steel | Type | A1 Journal article | ||
| Year | 2012 | Publication | Acta materialia | Abbreviated Journal |
Acta Mater |
| Volume | 60 | Issue | 3 | Pages | 1311-1321 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Uniaxial straining experiments were performed on a rolled and annealed Si-alloyed TRIP (transformation-induced plasticity) steel sheet in order to assess the role of its microstructure on the mechanical stability of austenite grains with respect to martensitic transformation. The transformation behavior of individual metastable austenite grains was studied both at the surface and inside the bulk of the material using electron back-scattered diffraction (EBSD) and X-ray diffraction (XRD) by deforming the samples to different strain levels up to about 20%. A comparison of the XRD and EBSD results revealed that the retained austenite grains at the surface have a stronger tendency to transform than the austenite grains in the bulk of the material. The deformation-induced changes of individual austenite grains before and after straining were monitored with EBSD. Three different types of austenite grains can be distinguished that have different transformation behaviors: austenite grains at the grain boundaries between ferrite grains, twinned austenite grains, and embedded austenite grains that are completely surrounded by a single ferrite grain. It was found that twinned austenite grains and the austenite grains present at the grain boundaries between larger ferrite grains typically transform first, i.e. are less stable, in contrast to austenite grains that are completely embedded in a larger ferrite grain. In the latter case, straining leads to rotations of the harder austenite grain within the softer ferrite matrix before the austenite transforms into martensite. The analysis suggests that austenite grain rotation behavior is also a significant factor contributing to enhancement of the ductility. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000301157900054 | Publication Date | 2011-12-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-6454; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.301 | Times cited | 80 | Open Access | |
| Notes | Approved | Most recent IF: 5.301; 2012 IF: 3.941 | |||
| Call Number | UA @ lucian @ c:irua:97210 | Serial | 630 | ||
| Permanent link to this record | |||||