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Author | Lelouche, S.N.K.; Lemir, I.; Biglione, C.; Craig, T.; Bals, S.; Horcajada, P. | ||||
Title | AuNP/MIL-88B-NH₂ nanocomposite for the valorization of nitroarene by green catalytic hydrogenation | Type | A1 Journal article | ||
Year | 2024 | Publication | Chemistry: a European journal | Abbreviated Journal | |
Volume | Issue | Pages | 1-10 | ||
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The efficiency of a catalytic process is assessed based on conversion, yield, and time effectiveness. However, these parameters are insufficient for evaluating environmentally sustainable research. As the world is urged to shift towards green catalysis, additional factors such as reaction media, raw material availability, sustainability, waste minimization and catalyst biosafety, need to be considered to accurately determine the efficacy and sustainability of the process. By combining the high porosity and versatility of metal organic frameworks (MOFs) and the activity of gold nanoparticles (AuNPs), efficient, cyclable and biosafe composite catalysts can be achieved. Thus, a composite based on AuNPs and the nanometric flexible porous iron(III) aminoterephthalate MIL-88B-NH2 was successfully synthesized and fully characterized. This nanocomposite was tested as catalyst in the reduction of nitroarenes, which were identified as anthropogenic water pollutants, reaching cyclable high conversion rates at short times for different nitroarenes. Both synthesis and catalytic reactions were performed using green conditions, and even further tested in a time-optimizing one-pot synthesis and catalysis experiment. The sustainability and environmental impact of the catalytic conditions were assessed by green metrics. Thus, this study provides an easily implementable synthesis, and efficient catalysis, while minimizing the environmental and health impact of the process. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001204094600001 | Publication Date | 2024-03-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0947-6539 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 4.3 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 4.3; 2024 IF: 5.317 | |||
Call Number | UA @ admin @ c:irua:205426 | Serial | 9135 | ||
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Author | Cui, Z.; Zhou, C.; Jafarzadeh, A.; Meng, S.; Yi, Y.; Wang, Y.; Zhang, X.; Hao, Y.; Li, L.; Bogaerts, A. | ||||
Title | SF₆ catalytic degradation in a γ-Al₂O₃ packed bed plasma system : a combined experimental and theoretical study | Type | A1 Journal article | ||
Year | 2022 | Publication | High voltage | Abbreviated Journal | |
Volume | Issue | Pages | 1-11 | ||
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Effective abatement of the greenhouse gas sulphur hexafluoride (SF6) waste is of great importance for the environment protection. This work investigates the size effect and the surface properties of gamma-Al2O3 pellets on SF6 degradation in a packed bed dielectric barrier discharge (PB-DBD) system. Experimental results show that decreasing the packing size improves the filamentary discharges and promotes the ignition and the maintenance of plasma, enhancing the degradation performance at low input powers. However, too small packing pellets decrease the gas residence time and reduce the degradation efficiency, especially for the input power beyond 80 W. Besides, lowering the packing size promotes the generation of SO2, while reduces the yields of S-O-F products, corresponding to a better degradation. After the discharge, the pellet surface becomes smoother with the appearance of S and F elements. Density functional theory calculations show that SF6 is likely to be adsorbed at the Al-III site over the gamma-Al2O3(110) surface, and it is much more easily to decompose than in the gas phase. The fluorine gaseous products can decompose and stably adsorb on the pellet surface to change the surface element composition. This work provides a better understanding of SF6 degradation in a PB-DBD system. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000827312700001 | Publication Date | 2022-07-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2397-7264 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 4.4 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 4.4 | |||
Call Number | UA @ admin @ c:irua:189603 | Serial | 7208 | ||
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Author | Bal, K.M.; Neyts, E.C. | ||||
Title | Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory | Type | A1 Journal article | ||
Year | 2022 | Publication | Journal Of Chemical Physics | Abbreviated Journal | J Chem Phys |
Volume | 157 | Issue | 18 | Pages | 184113-10 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach-based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a simple recrossing correction-allows us to probe a fairly wide range of rates in several superheated and cavitation regimes in a consistent manner. Rate predictions from this approach bridge disparate independent literature studies on the same model system. As such, we find that rate predictions based on classical nucleation theory, direct brute force molecular dynamics simulations, and seeding are consistent with our approach and one another. Published rates derived from forward flux sampling simulations are, however, found to be outliers. This study serves two purposes: First, we validate the reliability of common modeling techniques and extrapolation approaches on a paradigmatic problem in materials science and chemical physics. Second, we further test our highly generic recipe for rate calculations, and establish its applicability to nucleation processes. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000885260600002 | Publication Date | 2022-11-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.4 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 4.4 | |||
Call Number | UA @ admin @ c:irua:192076 | Serial | 7266 | ||
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Author | Brenker, F.E.; Vollmer, C.; Vincze, L.; Vekemans, B.; Szymanski, A.; Janssens, K.; Szaloki, I.; Nasdala, L.; Joswig, W.; Kaminsky, F. | ||||
Title | Carbonates from the lower part of transition zone or even the lower mantle | Type | A1 Journal article | ||
Year | 2007 | Publication | Earth and planetary science letters | Abbreviated Journal | Earth Planet Sc Lett |
Volume | 260 | Issue | 1/2 | Pages | 1-9 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Effective CO2-storage in the shallow solid Earth mainly occurs by the formation of carbonates. Although the possibility of transport and storage of carbonates to great depth is demonstrated experimentally, ultra-deep mantle carbonates have not been found before. Applying several in situ analytical techniques on inclusions in diamonds from Juina (Brazil) originating from the lower part of the transition zone (> 580 km) or even the lower mantle (> 670 km), reveal the existence of deep Earth carbonates. These finding unquestionably show that at least locally carbonates exist within the deep Earth and may indicate that the Earth's global CO2-cycle has an ultra-deep extension. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000248883300001 | Publication Date | 2007-03-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0012-821x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.409 | Times cited | 156 | Open Access | |
Notes | Approved | Most recent IF: 4.409; 2007 IF: 3.873 | |||
Call Number | UA @ admin @ c:irua:71387 | Serial | 5496 | ||
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Author | Kaminsky, F.V.; Ryabchikov, I.D.; McCammon, C.A.; Longo, M.; Abakumov, A.M.; Turner, S.; Heidari, H. | ||||
Title | Oxidation potential in the Earth's lower mantle as recorded by ferropericlase inclusions in diamond | Type | A1 Journal article | ||
Year | 2015 | Publication | Earth and planetary science letters | Abbreviated Journal | Earth Planet Sc Lett |
Volume | 417 | Issue | 417 | Pages | 49-56 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Ferropericlase (fPer) inclusions from kimberlitic lower-mantle diamonds recovered in the Juina area, Mato Grosso State, Brazil were analyzed with transmission electron microscopy, electron energy-loss spectroscopy and the flank method. The presence of exsolved non-stoichiometric Fe3+-enriched clusters, varying in size from 1-2 nm to 10-15 nm and comprising similar to 3.64 vol.% of fPer was established. The oxidation conditions necessary for fPer formation within the uppermost lower mantle (P = 25 GPa, T = 1960 K) vary over a wide range: Delta log f(o2) (IW) from 1.58 to 7.76 (Delta = 6.2), reaching the fayalite-magnetite-quartz (FMQ) oxygen buffer position. This agrees with the identification of carbonates and free silica among inclusions within lower-mantle Juina diamonds. On the other hand, at the base of the lower mantle Delta log f(o2) values may lie at and below the iron-wustite (IW) oxygen buffer. Hence, the variations of Delta log f(o2) values within the entire sequence of the lower mantle may reach ten logarithmic units, varying from the IW buffer to the FMQ buffer values. The similarity between lower- and upper-mantle redox conditions supports whole mantle convection, as already suggested on the basis of nitrogen and carbon isotopic compositions in lower- and upper-mantle diamonds. The mechanisms responsible for redox differentiation in the lower mantle may include subduction of oxidized crustal material, mechanical separation of metallic phase(s) and silicate-oxide mineral assemblages enriched in ferric iron, as well as transfer of fused silicate-oxide material presumably also enriched in ferric iron through the mantle. (C) 2015 Elsevier B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000351799400006 | Publication Date | 2015-03-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0012-821X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.409 | Times cited | 23 | Open Access | |
Notes | Approved | Most recent IF: 4.409; 2015 IF: 4.734 | |||
Call Number | c:irua:125451 | Serial | 2539 | ||
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Author | Meledina, M.; Turner, S.; Filippousi, M.; Leus, K.; Lobato, I.; Ramachandran, R.K.; Dendooven, J.; Detavernier, C.; Van Der Voort, P.; Van Tendeloo, G. | ||||
Title | Direct Imaging of ALD Deposited Pt Nanoclusters inside the Giant Pores of MIL-101 | Type | A1 Journal article | ||
Year | 2016 | Publication | Particle and particle systems characterization | Abbreviated Journal | Part Part Syst Char |
Volume | 33 | Issue | 33 | Pages | 382-387 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | MIL-101 giant-pore metal-organic framework (MOF) materials have been loaded with Pt nanoparticles using atomic layer deposition. The final structure has been investigated by aberration-corrected annular dark-field scanning transmission electron microscopy under strictly controlled low dose conditions. By combining the acquired experimental data with image simulations, the position of the small clusters within the individual pores of a metal-organic framework has been determined. The embedding of the Pt nanoparticles is confirmed by electron tomography, which shows a distinct ordering of the highly uniform Pt nanoparticles. The results show that atomic layer deposition is particularly well-suited for the deposition of individual nanoparticles inside MOF framework pores and that, upon proper regulation of the incident electron dose, annular dark-field scanning transmission electron microscopy is a powerful tool for the characterization of this type of materials at a local scale. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000379970000006 | Publication Date | 2016-02-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.474 | Times cited | 11 | Open Access | |
Notes | S.T. and J.D. gratefully acknowledge the FWO Vlaanderen for a postdoctoral scholarship. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. K.L. acknowledges the financial support from the Ghent University BOF postdoctoral Grant 01P06813T and UGent GOA Grant 01G00710. C.D. thanks the FWO Vlaanderen, BOF-UGent (GOA 01G01513), and the Hercules Foundation (AUGE/09/014) for financial support. | Approved | Most recent IF: 4.474 | ||
Call Number | c:irua:131913 | Serial | 4028 | ||
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Author | Zanaga, D.; Altantzis, T.; Polavarapu, L.; Liz-Marzán, L.M.; Freitag, B.; Bals, S. | ||||
Title | A New Method for Quantitative XEDS Tomography of Complex Heteronanostructures | Type | A1 Journal article | ||
Year | 2016 | Publication | Particle and particle systems characterization | Abbreviated Journal | Part Part Syst Char |
Volume | 33 | Issue | 33 | Pages | 396-403 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Reliable quantification of 3D results obtained by X-ray Energy Dispersive Spectroscopy (XEDS) tomography is currently hampered by the presence of shadowing effects and poor spatial resolution. Here, we present a method that overcomes these problems by synergistically combining quantified XEDS data and High Angle Annular Dark Field – Scanning Transmission Electron Microscopy (HAADF-STEM) tomography. As a proof of principle, the approach is applied to characterize a complex Au/Ag nanorattle obtained through a galvanic replacement reaction. However, the technique we propose here is widely applicable to a broad range of nanostructures. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000379970000008 | Publication Date | 2016-03-31 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.474 | Times cited | 29 | Open Access | OpenAccess |
Notes | The authors acknowledge financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS, ERC Advanced Grant # 291667 HierarSACol and ERC Advanced Grant 267867 – PLASMAQUO), the European Union under the FP7 (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI and N. 312483 ESTEEM2).; esteem2jra4; ECASSara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 4.474 | ||
Call Number | c:irua:132643 c:irua:132643 | Serial | 4052 | ||
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Author | Varambhia, A.M.; Jones, L.; De Backer, A.; Fauske, V.T.; Van Aert, S.; Ozkaya, D.; Nellist, P.D. | ||||
Title | Quantifying a Heterogeneous Ru Catalyst on Carbon Black Using ADF STEM | Type | A1 Journal article | ||
Year | 2016 | Publication | Particle and particle systems characterization | Abbreviated Journal | Part Part Syst Char |
Volume | 33 | Issue | 33 | Pages | 438-444 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Ru catalysts are part of a set of late transition metal nanocatalysts that have garnered much interest for catalytic applications such as ammonia synthesis and fuel cell production. Their performance varies greatly depending on their morphology and size, these catalysts are widely studied using electron microscopy. Using recent developments in Annular Dark Field (ADF) Scanning Transmission Electron Microscopy (STEM) quantification techniques, a rapid atom counting procedure was utilized to document the evolution of a heterogeneous Ru catalyst supported on carbon black. Areas of the catalyst were imaged for approximately 15 minutes using ADF STEM. When the Ru clusters were exposed to the electron beam, the clusters changed phase from amorphous to crystalline. To quantify the thickness of the crystalline clusters, two techniques were applied (simulation and statistical decomposition) and compared. These techniques show that stable face centredcubic crystal structures in the form of rafts, between 2 and 8 atoms thick, were formed after the initial wetting of the carbon support. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000379970000012 | Publication Date | 2016-06-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.474 | Times cited | 4 | Open Access | |
Notes | The authors would like to thank the EPSRC and Johnson Matthey for funding this work as part of a CASE-Award studentship. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative–I3). We would like to thank Brian Theobald and Jonathan Sharman from JMTC for provision of the samples The authors gratefully acknowledge the Research Foundation Flanders (FWO, Belgium) for funding and for a postdoctoral grant to ADB. The microscope used was funded by the INFRASTRUKTUR Grant 197405 (NORTEM) program of the Research Council of Norway.; esteem2_jra2 | Approved | Most recent IF: 4.474 | ||
Call Number | c:irua:134036 c:irua:134036 | Serial | 4086 | ||
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Author | Chinchilla, L.E.; Olmos, C.; Kurttepeli, M.; Bals, S.; Van Tendeloo, G.; Villa, A.; Prati, L.; Blanco, G.; Calvino, J.J.; Chen, X.; Hungría, A.B. | ||||
Title | Combined macroscopic, nanoscopic, and atomic-scale characterization of gold-ruthenium bimetallic catalysts for octanol oxidation | Type | A1 Journal article | ||
Year | 2016 | Publication | Particle and particle systems characterization | Abbreviated Journal | Part Part Syst Char |
Volume | 33 | Issue | 33 | Pages | 419-437 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | A series of gold-ruthenium bimetallic catalysts of increasing Au:Ru molar ratios supported on a Ce0.62Zr0.38O2 mixed oxide are prepared and their structural and chemical features characterized by a combination of macroscopic and atomic-scale techniques based on scanning transmission electron microscopy. The influence of the temperature of the final reduction treatment used as activation step (350-700 degrees C range) is also investigated. The preparation method used allows catalysts to be successfully prepared where a major fraction of the metal nanoparticles is in the size range below 5 nm. The structural complexities characteristic of this type of catalysts are evidenced, as well as the capabilities and limitations of both the macroscopic and microscopic techniques in the characterization of the system of metal nanoparticles. A positive influence of the addition of Ru on both the resistance against sintering and the catalytic performance of the starting supported Au catalyst is evidenced. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000379970000011 | Publication Date | 2016-05-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.474 | Times cited | 7 | Open Access | OpenAccess |
Notes | ; This work was supported by the Ministry of Science and Innovation of Spain/ FEDER Program of the EU (Project Nos.: MAT 2013-40823-R and CSD2009-00013), ESTEEM2 (FP7-INFRASTUCTURE-2012-1-312493), Junta de Andalucia (FQM334 and FQM110 and Project: FQM3994). S.B. acknowledges the European Research Council, ERC grant No. 335078 – Colouratom. M.K. is grateful to the Fund for Scientific Research Flanders. X.C. thanks the Ramon y Cajal Program. ; ecas_sara | Approved | Most recent IF: 4.474 | ||
Call Number | UA @ lucian @ c:irua:134958 | Serial | 4150 | ||
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Author | Amini, M.N.; Altantzis, T.; Lobato, I.; Grzelczak, M.; Sánchez-Iglesias, A.; Van Aert, S.; Liz-Marzán, L.M.; Partoens, B.; Bals, S.; Neyts, E.C. | ||||
Title | Understanding the Effect of Iodide Ions on the Morphology of Gold Nanorods | Type | A1 Journal article | ||
Year | 2018 | Publication | Particle and particle systems characterization | Abbreviated Journal | Part Part Syst Char |
Volume | 35 | Issue | 35 | Pages | 1800051 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The presence of iodide ions during the growth of gold nanorods strongly affects the shape of the final products, which is proposed to be due to selective iodide adsorption on certain crystallographic facets. Therefore, a detailed structural and morphological characterization of the starting rods is crucial toward understanding this effect. Electron tomography is used to determine the crystallographic indices of the lateral facets of gold nanorods, as well as those present at the tips. Based on this information, density functional theory calculations are used to determine the surface and interface energies of the observed facets and provide insight into the relationship between the amount of iodide ions in the growth solution and the final morphology of anisotropic gold nanoparticles. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000441893400002 | Publication Date | 2018-06-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.474 | Times cited | 6 | Open Access | OpenAccess |
Notes | This work was supported by the European Research Council (grant 335078 COLOURATOM to S.B.). T.A., S.V.A. S.B. and E.C.N., acknowledge funding from the Research Foundation Flanders (FWO, Belgium), through project funding (G.0218.14N and G.0369.15N) and a postdoctoral grant to T.A. L.M.L.-M. and M.G. acknowledge funding from the Spanish Ministerio de Economía y Competitividad (grant MAT2013-46101-R). Mozhgan N. Amini and Thomas Altantzis contributed equally to this work. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); ecas_sara | Approved | Most recent IF: 4.474 | ||
Call Number | EMAT @ emat @c:irua:152998UA @ admin @ c:irua:152998 | Serial | 5010 | ||
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Author | Zhang, Y.; Bals, S.; Van Tendeloo, G. | ||||
Title | Understanding CeO2-Based Nanostructures through Advanced Electron Microscopy in 2D and 3D | Type | A1 Journal article | ||
Year | 2019 | Publication | Particle and particle systems characterization | Abbreviated Journal | Part Part Syst Char |
Volume | 36 | Issue | 36 | Pages | 1800287 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Engineering morphology and size of CeO2-based nanostructures on a (sub)nanometer scale will greatly influence their performance; this is because of their high oxygen storage capacity and unique redox properties, which allow faster switching of the oxidation state between Ce4+ and Ce3+. Although tremendous research has been carried out on the shapecontrolled synthesis of CeO2, the characterization of these nanostructures at the atomic scale remains a major challenge and the origin of debate. The rapid developments of aberration-corrected transmission electron microscopy (AC-TEM) have pushed the resolution below 1 Å, both in TEM and in scanning transmission electron microscopy (STEM) mode. At present, not only morphology and structure, but also composition and electronic structure can be analyzed at an atomic scale, even in 3D. This review summarizes recent significant achievements using TEM/ STEM and associated spectroscopic techniques to study CeO2-based nanostructures and related catalytic phenomena. Recent results have shed light on the understanding of the different mechanisms. The potential and limitations, including future needs of various techniques, are discussed with recommendations to facilitate further developments of new and highly efficient CeO2-based nanostructures. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000455414600012 | Publication Date | 2018-10-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.474 | Times cited | 22 | Open Access | OpenAccess |
Notes | Y.Z. acknowledges financial support from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska- Curie grant agreement no. 665501 through a FWO [PEGASUS]2 Marie Skłodowska-Curie fellowship (12U4917N). S.B. acknowledges funding from the European Research Council, ERC grant no. 335078-Colouratom. ; ecas_sara | Approved | Most recent IF: 4.474 | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:156391 | Serial | 5151 | ||
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Author | Vanrompay, H.; Béché, A.; Verbeeck, J.; Bals, S. | ||||
Title | Experimental Evaluation of Undersampling Schemes for Electron Tomography of Nanoparticles | Type | A1 Journal article | ||
Year | 2019 | Publication | Particle and particle systems characterization | Abbreviated Journal | Part Part Syst Char |
Volume | 36 | Issue | 36 | Pages | 1900096 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | One of the emerging challenges in the field of 3D characterization of nanoparticles by electron tomography is to avoid degradation and deformation of the samples during the acquisition of a tilt series. In order to reduce the required electron dose, various undersampling approaches have been proposed. These methods include lowering the number of 2D projection images, reducing the probe current during the acquisition, and scanning a smaller number of pixels in the 2D images. A comparison is made between these approaches based on tilt series acquired for a gold nanoparticle. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000477679400014 | Publication Date | 2019-05-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.474 | Times cited | 12 | Open Access | Not_Open_Access |
Notes | H.V. acknowledges financial support by the Research Foundation Flanders (FWO Grant No. 1S32617N). A.B. and J.V. acknowledge FWO project 6093417N “Compressed sensing enabling low dose imaging in STEM.” The authors thank G. González-Rubio, A. Sánchez-Iglesias, and L.M. Liz-Marzán for provision of the samples. | Approved | Most recent IF: 4.474 | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:159986 | Serial | 5175 | ||
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Author | Altantzis, T.; Goris, B.; Sánchez-Iglesias, A.; Grzelczak, M.; Liz-Marzán, L.M.; Bals, S. | ||||
Title | Quantitative structure determination of large three-dimensional nanoparticle assemblies | Type | A1 Journal article | ||
Year | 2013 | Publication | Particle and particle systems characterization | Abbreviated Journal | Part Part Syst Char |
Volume | 30 | Issue | 1 | Pages | 84-88 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Thumbnail image of graphical abstract To investigate nanoassemblies in three dimensions, electron tomography is an important tool. For large nanoassemblies, it is not straightforward to obtain quantitative results in three dimensions. An optimized acquisition technique, incoherent bright field scanning transmission electron microscopy, is combined with an advanced 3D reconstruction algorithm. The approach is applied to quantitatively analyze large nanoassemblies in three dimensions. | ||||
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Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000310806000008 | Publication Date | 2012-11-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.474 | Times cited | 23 | Open Access | |
Notes | Goa; Fwo; 267867 Plasmaquo; 262348 Esmi | Approved | Most recent IF: 4.474; 2013 IF: 0.537 | ||
Call Number | UA @ lucian @ c:irua:101776 | Serial | 2763 | ||
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Author | Shenderova, O.; Hens, S.; Vlasov, I.; Turner, S.; Lu, Y.-G.; Van Tendeloo, G.; Schrand, A.; Burikov, S.A.; Dolenko, T.A. | ||||
Title | Carbon-dot-decorated nanodiamonds | Type | A1 Journal article | ||
Year | 2014 | Publication | Particle and particle systems characterization | Abbreviated Journal | Part Part Syst Char |
Volume | 31 | Issue | 5 | Pages | 580-590 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The synthesis of a new class of fluorescent carbon nanomaterials, carbon-dot-decorated nanodiamonds (CDD-ND), is reported. These CDD-NDs are produced by specific acid treatment of detonation soot, forming tiny rounded sp2 carbon species (carbon dots), 12 atomic layers thick and 12 nm in size, covalently attached to the surface of the detonation diamond nanoparticles. A combination of nanodiamonds bonded with a graphitic phase as a starting material and the application of graphite intercalated acids for oxidation of the graphitic carbon is necessary for the successful production of CDD-ND. The CDD-ND photoluminescence (PL) is stable, 20 times more intense than the intrinsic PL of well-purified NDs and can be tailored by changing the oxidation process parameters. Carbon-dot-decorated DNDs are shown to be excellent probes for bioimaging applications and inexpensive additives for PL nanocomposites. | ||||
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Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000335518900008 | Publication Date | 2014-01-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.474 | Times cited | 30 | Open Access | |
Notes | Fwo; 262348 Esmi; 246791 Countatoms | Approved | Most recent IF: 4.474; 2014 IF: 3.081 | ||
Call Number | UA @ lucian @ c:irua:117332 | Serial | 280 | ||
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Author | Sentosun, K.; Sanz Ortiz, M.N.; Batenburg, K.J.; Liz-Marzán, L.M.; Bals, S. | ||||
Title | Combination of HAADF-STEM and ADF-STEM Tomography for Core-Shell Hybrid Materials | Type | A1 Journal article | ||
Year | 2015 | Publication | Particle and particle systems characterization | Abbreviated Journal | Part Part Syst Char |
Volume | 32 | Issue | 32 | Pages | 1063-1067 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab | ||||
Abstract | Characterization of core-shell type nanoparticles in 3D by transmission electron microscopy (TEM) can be very challenging. Especially when both heavy and light elements co-exist within the same nanostructure, artefacts in the 3D reconstruction are often present. A representative example would be a particle comprising an anisotropic metallic (Au) nanoparticle coated with a (mesoporous) silica shell. To obtain a reliable 3D characterization of such an object, we propose a dose-efficient strategy to simultaneously acquire high angle annular dark field scanning TEM and annular dark field tilt series for tomography. The 3D reconstruction is further improved by applying an advanced masking and interpolation approach to the acquired data. This new methodology enables us to obtain high quality reconstructions from which also quantitative information can be extracted. This approach is broadly applicable to investigate hybrid core-shell materials. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000368446800003 | Publication Date | 2015-10-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0934-0866; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.474 | Times cited | 13 | Open Access | OpenAccess |
Notes | S.B. acknowledges financial support from European Research Council (ERC) (ERC Starting Grant #335078-COLOURATOM). L.M. acknowledges funding from the EU, Grant# 310651-2 Self-Assembly in Confined Space (SACS). K.J.B acknowledges financial support from the Netherlands Organisation for Scientific Research (NWO), project number 639.072.005 and NWO CW 700.57.026. Networking support was provided by COST Action MP1207. The authors acknowledge the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2 for financial support.; esteem2jra4; ECASSara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 4.474; 2015 IF: 3.081 | ||
Call Number | c:irua:129590 c:irua:129590 | Serial | 3967 | ||
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Author | Bal, K.M.; Fukuhara, S.; Shibuta, Y.; Neyts, E.C. | ||||
Title | Free energy barriers from biased molecular dynamics simulations | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Chemical Physics | Abbreviated Journal | J Chem Phys |
Volume | 153 | Issue | 11 | Pages | 114118 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Atomistic simulation methods for the quantification of free energies are in wide use. These methods operate by sampling the probability density of a system along a small set of suitable collective variables (CVs), which is, in turn, expressed in the form of a free energy surface (FES). This definition of the FES can capture the relative stability of metastable states but not that of the transition state because the barrier height is not invariant to the choice of CVs. Free energy barriers therefore cannot be consistently computed from the FES. Here, we present a simple approach to calculate the gauge correction necessary to eliminate this inconsistency. Using our procedure, the standard FES as well as its gauge-corrected counterpart can be obtained by reweighing the same simulated trajectory at little additional cost. We apply the method to a number of systems—a particle solvated in a Lennard-Jones fluid, a Diels–Alder reaction, and crystallization of liquid sodium—to demonstrate its ability to produce consistent free energy barriers that correctly capture the kinetics of chemical or physical transformations, and discuss the additional demands it puts on the chosen CVs. Because the FES can be converged at relatively short (sub-ns) time scales, a free energy-based description of reaction kinetics is a particularly attractive option to study chemical processes at more expensive quantum mechanical levels of theory. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000574665600004 | Publication Date | 2020-09-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.4 | Times cited | Open Access | ||
Notes | Japan Society for the Promotion of Science, 19H02415 18J22727 ; Fonds Wetenschappelijk Onderzoek, 12ZI420N ; This work was supported, in part, by a Grant-in-Aid for Scientific Research (B) (Grant No. 19H02415) and Grant-in-Aid for a JSPS Research Fellow (Grant No. 18J22727) from the Japan Society for the Promotion of Science (JSPS), Japan. K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation – Flanders), Grant No. 12ZI420N. S.F. was supported by JSPS through the Program for Leading Graduate Schools (MERIT). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. The authors are grateful to Pablo Piaggi for making the pair entropy CV code publicly available. | Approved | Most recent IF: 4.4; 2020 IF: 2.965 | ||
Call Number | PLASMANT @ plasmant @c:irua:172456 | Serial | 6420 | ||
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Author | Baskurt, M.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H. | ||||
Title | Stable single-layers of calcium halides (CaX₂, X = F, Cl, Br, I) | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Chemical Physics | Abbreviated Journal | J Chem Phys |
Volume | 152 | Issue | 16 | Pages | 164116-164118 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | By means of density functional theory based first-principles calculations, the structural, vibrational, and electronic properties of 1H- and 1T-phases of single-layer CaX2 (X = F, Cl, Br, or I) structures are investigated. Our results reveal that both the 1H- and 1T-phases are dynamically stable in terms of their phonon band dispersions with the latter being the energetically favorable phase for all single-layers. In both phases of single-layer CaX2 structures, significant phonon softening occurs as the atomic radius increases. In addition, each structural phase exhibits distinctive Raman active modes that enable one to characterize either the phase or the structure via Raman spectroscopy. The electronic band dispersions of single-layer CaX2 structures reveal that all structures are indirect bandgap insulators with a decrease in bandgaps from fluorite to iodide crystals. Furthermore, the calculated linear elastic constants, in-plane stiffness, and Poisson ratio indicate the ultra-soft nature of CaX2 single-layers, which is quite important for their nanoelastic applications. Overall, our study reveals that with their dynamically stable 1T- and 1H-phases, single-layers of CaX2 crystals can be alternative ultra-thin insulators. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000531819100001 | Publication Date | 2020-04-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.4 | Times cited | 14 | Open Access | |
Notes | ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the TUBITAK under Project No. 117F095. H.S. acknowledges support from the Turkish Academy of Sciences under the GEBIP program. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). ; | Approved | Most recent IF: 4.4; 2020 IF: 2.965 | ||
Call Number | UA @ admin @ c:irua:169543 | Serial | 6615 | ||
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Author | Wittner, N.; Slezsák, J.; Broos, W.; Geerts, J.; Gergely, S.; Vlaeminck, S.E.; Cornet, I. | ||||
Title | Rapid lignin quantification for fungal wood pretreatment by ATR-FTIR spectroscopy | Type | A1 Journal article | ||
Year | 2023 | Publication | Spectrochimica acta: part A: molecular and biomolecular spectroscopy | Abbreviated Journal | |
Volume | Issue | Pages | 121912 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE) | ||||
Abstract | Lignin determination in lignocellulose with the conventional two-step acid hydrolysis method is highly laborious and time-consuming. However, its quantification is crucial to monitor fungal pretreatment of wood, as the increase of acid-insoluble lignin (AIL) degradation linearly correlates with the achievable enzymatic saccharification yield. Therefore, in this study, a new attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy method was developed to track fungal delignification in an easy and rapid manner. Partial least square regression (PLSR) with cross-validation (CV) was applied to correlate the ATR-FTIR spectra with the AIL content (19.9%–27.1%). After variable selection and normalization, a PLSR model with a high coefficient of determination ( | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000985309100010 | Publication Date | 2022-09-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1386-1425 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.4 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 4.4; 2023 IF: 2.536 | |||
Call Number | UA @ admin @ c:irua:190328 | Serial | 7201 | ||
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Author | Wang, L.; Griffin, D.K.; Romanov, M.N.; Gielis, J. | ||||
Title | Comparison of two polar equations in describing the geometries of domestic pigeon (Columba livia domestica) eggs | Type | A1 Journal article | ||
Year | 2024 | Publication | Poultry science | Abbreviated Journal | |
Volume | Issue | Pages | 104196-104199 | ||
Keywords | A1 Journal article; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) | ||||
Abstract | Two-dimensional (2D)egg-shape equa-tions are potent mathematical tools, facilitating the description of avian egg geometries in their applied mathematical modelling and poultry science implementations. In the present study, 2 distinct polar equations,namely the Carter-Morley-Jones equation (CMJE) and simplified Gielis equation(SGE), were used to fit the profile geometries of 415 domestic pigeon (Columba livia domestica) eggs based on nonlinear least squares regression methods. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2024-09-21 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0032-5791; 1525-3171 | ISBN | Additional Links | UA library record | |
Impact Factor | 4.4 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 4.4; 2024 IF: 1.908 | |||
Call Number | UA @ admin @ c:irua:208221 | Serial | 9279 | ||
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Author | Broos, W.; Wittner, N.; Dries, J.; Vlaeminck, S.E.; Gunde-Cimerman, N.; Cornet, I. | ||||
Title | Rhodotorula kratochvilovae outperforms Cutaneotrichosporon oleaginosum in the valorisation of lignocellulosic wastewater to microbial oil | Type | A1 Journal article | ||
Year | 2024 | Publication | Process biochemistry (1991) | Abbreviated Journal | |
Volume | 137 | Issue | Pages | 229-238 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE) | ||||
Abstract | Rhodotorula kratochvilovae has shown to be a promising species for microbial oil production from lignin-derived compounds. Yet, information on R. kratochvilovae’s detoxification and microbial oil production is scarce. This study investigated the growth and microbial oil production on the phenolic-containing effluent from poplar steam explosion and its detoxification with five R. kratochvilovae strains (EXF11626, EXF9590, EXF7516, EXF3697, EXF3471) and compared them with Cutaneotrichosporon oleaginosum. The R. kratochvilovae strains reached a maximum growth rate up to four times higher than C. oleaginosum. Furthermore, all R. kratochvilovae strains generally degraded phenolics more rapidly and to a larger extent than C. oleaginosum. However, the diluted substrate limited the lipid production by all strains as the maximum lipid content and titre were 10.5% CDW and 0.40 g/L, respectively. Therefore, future work should focus on increasing lipid production by using advanced fermentation strategies and stimulating the enzyme excretion by the yeasts for complex substrate breakdown. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2024-01-13 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1359-5113 | ISBN | Additional Links | UA library record | |
Impact Factor | 4.4 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 4.4; 2024 IF: 2.497 | |||
Call Number | UA @ admin @ c:irua:202365 | Serial | 9087 | ||
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Author | Barich, H.; Cánovas, R.; De Wael, K. | ||||
Title | Electrochemical identification of hazardous phenols and their complex mixtures in real samples using unmodified screen-printed electrodes | Type | A1 Journal article | ||
Year | 2022 | Publication | Journal of electroanalytical chemistry : an international journal devoted to all aspects of electrode kynetics, interfacial structure, properties of electrolytes, colloid and biological electrochemistry. | Abbreviated Journal | J Electroanal Chem |
Volume | 904 | Issue | Pages | 115878 | |
Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
Abstract | The electrochemical behavior of some of the most relevant endocrine-disrupting phenols using unmodified carbon screen-printed electrodes (SPEs) is described for the first time. Experiments were made to assess the electrochemical behavior of phenol (PHOH), pentachlorophenol (PCP), 4-tert octylphenol (OP) and bisphenol A (BPA) and their determination in the most favorable conditions, using voltammetric methods such as cyclic voltammetry (CV), linear sweep voltammetry (LSV) and square wave voltammetry (SWV) in Britton Robinson (BR) buffer. Further, the usefulness of the electrochemical approach was validated with real samples from a local river and was compared to commercial phenols test kit, which is commonly used for on-site screening in industrial streams and wastewaters. Finally, the approach was compared with a lab-bench standard method using real samples, i.e., high-performance liquid chromatography with a photodiode array detector (HPLC-DAD). | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000741151200005 | Publication Date | 2021-11-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1572-6657; 1873-2569 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.5 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 4.5 | |||
Call Number | UA @ admin @ c:irua:184384 | Serial | 7150 | ||
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Author | Yang, S.; An, H.; Anastasiadou, D.; Xu, W.; Wu, L.; Wang, H.; de Ruiter, J.; Arnouts, S.; Figueiredo, M.C.; Bals, S.; Altantzis, T.; van der Stam, W.; Weckhuysen, B.M. | ||||
Title | Waste-derived copper-lead electrocatalysts for CO₂ reduction | Type | A1 Journal article | ||
Year | 2022 | Publication | ChemCatChem | Abbreviated Journal | Chemcatchem |
Volume | 14 | Issue | 18 | Pages | e202200754-11 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract | It remains a real challenge to control the selectivity of the electrocatalytic CO2 reduction (eCO(2)R) reaction to valuable chemicals and fuels. Most of the electrocatalysts are made of non-renewable metal resources, which hampers their large-scale implementation. Here, we report the preparation of bimetallic copper-lead (CuPb) electrocatalysts from industrial metallurgical waste. The metal ions were extracted from the metallurgical waste through simple chemical treatment with ammonium chloride, and CuxPby electrocatalysts with tunable compositions were fabricated through electrodeposition at varying cathodic potentials. X-ray spectroscopy techniques showed that the pristine electrocatalysts consist of Cu-0, Cu1+ and Pb2+ domains, and no evidence for alloy formation was found. We found a volcano-shape relationship between eCO(2)R selectivity toward two electron products, such as CO, and the elemental ratio of Cu and Pb. A maximum Faradaic efficiency towards CO was found for Cu9.00Pb1.00, which was four times higher than that of pure Cu, under the same electrocatalytic conditions. In situ Raman spectroscopy revealed that the optimal amount of Pb effectively improved the reducibility of the pristine Cu1+ and Pb2+ domains to metallic Cu and Pb, which boosted the selectivity towards CO by synergistic effects. This work provides a framework of thinking to design and tune the selectivity of bimetallic electrocatalysts for CO2 reduction through valorization of metallurgical waste. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000853941300001 | Publication Date | 2022-06-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1867-3880; 1867-3899 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.5 | Times cited | 7 | Open Access | OpenAccess |
Notes | S.Y and B.M.W. acknowledge support from the EU Framework Programme for Research and Innovation Horizon 2020 (SOCRATES-721385; project website: http://etn-socrates.eu/). W.v.d.S., M.C.F. and B.M.W. acknowledge support from the Strategic UU-TU/e Alliance project 'Joint Centre for Chemergy Research'. S.B. acknowledges support from the European Research Council (ERC Consolidator Grant #815128 REALNANO). S.A. and T.A. acknowledge funding from the University of Antwerp Research fund (BOF). The Beijing Synchrotron Radiation Facility (1W1B, BSRF) is acknowledged for the beamtime. We are grateful to Annelies van der Bok and Bas Salzmann (Condensed Matter and Interfaces, Utrecht University, UU) for the support with the ICP-OES measurements. The authors thank dr. Robin Geitenbeek, Nikos Nikolopoulos, Ioannis Nikolopoulos, Jochem Wijten and Joris Janssens (Inorganic Chemistry and Catalysis, UU) for helpful discussions and technical support. The authors also thank Yuang Piao (Materials Chemistry and Catalysis, UU) for the help in the preparation of the figures of the article. | Approved | Most recent IF: 4.5 | ||
Call Number | UA @ admin @ c:irua:190703 | Serial | 7226 | ||
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Author | Nabavi-Pelesaraei, A.; Azadi, H.; Van Passel, S.; Saber, Z.; Hosseini-Fashami, F.; Mostashari-Rad, F.; Ghasemi-Mobtaker, H. | ||||
Title | Prospects of solar systems in production chain of sunflower oil using cold press method with concentrating energy and life cycle assessment | Type | A1 Journal article | ||
Year | 2021 | Publication | Energy | Abbreviated Journal | Energy |
Volume | 223 | Issue | Pages | 120117 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
Abstract | The aim of this study is determination of exergoenvironmental efficiency for using solar technologies in sunflower oil production in Iran. Accordingly, the applications of photovoltaic and photovoltaic/thermal systems were evaluated for both agricultural and industrial phases of sunflower oil production. Energy results reveal that 1 ton of sunflower oil consumes and produces about 180,354 and 39,400 MJ energy, respectively. About 86% of total energy consumption belongs to agricultural phase and electricity with 32%, has the highest share of total energy consumption. IMPACT 2002+ method and cumulative energy demand of life cycle assessment are applied to 3 defined scenarios including Present, photovoltaic and photovoltaic/thermal. Results indicate that total amounts of climate change in Present scenarios is 24537.53 kg CO2 eq.. The highest share of human health (90%), ecosystem quality (90%) and climate change (50%) in all scenarios belongs to direct emissions. Results also illustrates that total cumulative energy demand of Present, photovoltaic and photovoltaic/thermal scenarios are about 177,538, 99,054 and 132,158 MJ 1TSO(-1), respectively. Furthermore, the most contribution of non-renewable resources and fossil fuels belongs to electricity (37%), nitrogen (52%) and photovoltaic/thermal panels (39%) in Present, photovoltaic and photovoltaic/thermal scenarios, respectively. Finally the photovoltaic scenario is the best environmental-friendly scenario. (c) 2021 Elsevier Ltd. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000637964000003 | Publication Date | 2021-02-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0360-5442 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.52 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 4.52 | |||
Call Number | UA @ admin @ c:irua:178193 | Serial | 6940 | ||
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Author | Quintero-Coronel, D.A.; Lenis-Rodas, Y.A.; Corredor, L.A.; Perreault, P.; Gonzalez-Quiroga, A. | ||||
Title | Thermochemical conversion of coal and biomass blends in a top-lit updraft fixed bed reactor : experimental assessment of the ignition front propagation velocity | Type | A1 Journal article | ||
Year | 2021 | Publication | Energy | Abbreviated Journal | Energy |
Volume | 220 | Issue | Pages | 119702-119710 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Co-thermochemical conversion of coal and biomass can potentially decrease the use of fossil carbon and pollutant emissions. This work presents experimental results for the so-called top-lit updraft fixed bed reactor, in which the ignition front starts at the top and propagates downward while the gas product flows upwards. The study focuses on the ignition front propagation velocity for the co-thermochemical conversion of palm kernel shell and high-volatile bituminous coal. Within the range of assessed air superficial velocities, the process occurred under gasification and near stoichiometric conditions. Under gasification conditions increasing coal particle size from 7.1 to 22 mm decreased ignition front velocity by around 26% regardless of the coal volume percentage. Furthermore, increasing coal volume percentage and decreasing coal particle size result in product gas with higher energy content. For the operation near stoichiometric conditions, increasing coal volume percentage from 10 to 30% negatively affected the ignition front velocity directly proportional to its particle size. Additional experiments confirmed a linear dependence of ignition front velocity on air superficial velocity. Further steps in the development of the top-lit updraft technology are implementing continuous solids feeding and variable cross-sectional area and optimizing coal particle size distribution. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000623087300003 | Publication Date | 2020-12-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0360-5442 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.52 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 4.52 | |||
Call Number | UA @ admin @ c:irua:175861 | Serial | 8664 | ||
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Author | Compernolle, T.; Witters, N.; Van Passel, S.; Thewys, T. | ||||
Title | Analyzing a self-managed CHP system for greenhouse cultivation as a profitable way to reduce CO2-emissions | Type | A1 Journal article | ||
Year | 2011 | Publication | Energy | Abbreviated Journal | Energy |
Volume | 36 | Issue | 4 | Pages | 1940-1947 |
Keywords | A1 Journal article; Engineering sciences. Technology | ||||
Abstract | To counter global warming, a transition to a low-carbon economy is needed. The greenhouse sector can contribute by installing Combined Heat and Power (CHP) systems, known for their excellent energy efficiency. Due to the recent European liberalization of the energy market, glass horticulturists have the opportunity to sell excess electricity to the market and by tailored policy and support measures, regional governments can fill the lack of technical and economic knowledge, causing initial resistance. This research investigates the economic and environmental opportunities using two detailed cases applying a self managed cogeneration system. The Net Present Value is calculated to investigate the economic feasibility. The Primary Energy Saving, the CO2 Emission Reduction indicator and an Emission Balance are applied to quantify the environmental impact. The results demonstrate that a self-managed CHP system is economic viable and that CO2 emissions are reduced. (C) 2010 Elsevier Ltd. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000289605900014 | Publication Date | 2010-04-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0360-5442 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.52 | Times cited | 19 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 4.52; 2011 IF: 3.487 | ||
Call Number | UA @ admin @ c:irua:127561 | Serial | 6152 | ||
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Author | Tarasov, A.; Hu, Z.-Y.; Meledina, M.; Trusov, G.; Goodilin, E.; Van Tendeloo, G.; Dobrovolsky, Y. | ||||
Title | One-Step Microheterogeneous Formation of Rutile@Anatase Core–Shell Nanostructured Microspheres Discovered by Precise Phase Mapping | Type | A1 Journal article | ||
Year | 2017 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 121 | Issue | 121 | Pages | 4443-4450 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Nanostructured core−shell microspheres with a rough rutile core and a thin anatase shell are synthesized via a one-step heterogeneous templated hydrolysis process of TiCl4 vapor on the aerosol water−air interface. The rutile-in-anatase core−shell structure has been evidenced by different electron microscopy techniques, including electron energy-loss spectroscopy and 3D electron tomography. A new mechanism for the formation of a crystalline rutile core inside the anatase shell is proposed based on a statistical evaluation of a large number of electron microscopy data. We found that the control over the TiCl4 vapor pressure, the ratio between TiCl4 and H2O aerosol, and the reaction conditions plays a crucial role in the formation of the core−shell morphology and increases the yield of nanostructured microspheres. | ||||
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Language | Wos | 000395616200038 | Publication Date | 2017-03-02 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 4 | Open Access | OpenAccess |
Notes | Z.-Y.H., M. M., and G.V.T. acknowledge support from the the EC Framework 7 program ESTEEM2 (Reference 312483). | Approved | Most recent IF: 4.536 | ||
Call Number | EMAT @ emat @ c:irua:141720 | Serial | 4472 | ||
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Author | Khalilov, U.; Yusupov, M.; Bogaerts, A.; Neyts, E.C. | ||||
Title | Selective Plasma Oxidation of Ultrasmall Si Nanowires | Type | A1 Journal article | ||
Year | 2016 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 120 | Issue | 120 | Pages | 472-477 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Device performance of Si|SiOx core-shell based nanowires critically depends on the exact control over the oxide thickness. Low-temperature plasma oxidation is a highly promising alternative to thermal oxidation allowing for improved control over the oxidation process, in particular for ultrasmall Si nanowires. We here elucidate the room temperature plasma oxidation mechanisms of ultrasmall Si nanowires using hybrid molecular dynamics / force-bias Monte Carlo simulations. We demonstrate how the oxidation and concurrent water formation mechanisms are a function of the oxidizing plasma species and we demonstrate how the resulting core-shell oxide thickness can be controlled through these species. A new mechanism of water formation is discussed in detail. The results provide a detailed atomic level explanation of the oxidation process of highly curved Si surfaces. These results point out a route toward plasma-based formation of ultrathin core-shell Si|SiOx nanowires at room temperature. | ||||
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Language | Wos | 000368562200057 | Publication Date | 2015-12-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 3 | Open Access | |
Notes | U.K. and M.Y. gratefully acknowledge financial support from the Research Foundation – Flanders (FWO), Grants 12M1315N and 1200216N. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. We thank Prof. A. C. T. van Duin for sharing the ReaxFF code. | Approved | Most recent IF: 4.536 | ||
Call Number | c:irua:130677 | Serial | 4002 | ||
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Author | Serrano-Montes, A.B.; Langer, J.; Henriksen-Lacey, M.; Jimenez de Aberasturi, D.; Solís, D.M.; Taboada, J.M.; Obelleiro, F.; Sentosun, K.; Bals, S.; Bekdemir, A.; Stellacci, F.; Liz-Marzán, L.M. | ||||
Title | Gold Nanostar-Coated Polystyrene Beads as Multifunctional Nanoprobes for SERS Bioimaging | Type | A1 Journal article | ||
Year | 2016 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 120 | Issue | 120 | Pages | 20860-20868 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Hybrid colloidal nanocomposites comprising polystyrene beads and plasmonic gold nanostars are reported as multifunctional optical nanoprobes. Such self-assembled structures are excellent Raman enhancers for bio-applications as they feature plasmon modes in the near infrared “first biological transparency window”. In this proof of concept study, we used 4- mercaptobenzoic acid as a Raman-active molecule to optimize the density of gold nanostars on polystyrene beads, improving SERS performance and thereby allowing in vitro cell culture imaging. Interestingly, intermediate gold nanostar loadings were found to yield higher SERS response, which was confirmed by electromagnetic modeling. These engineered hybrid nanostructures notably improve the possibilities of using gold nanostars as SERS tags. Additionally, when fluorescently labeled polystyrene bead are used as colloidal carriers, the composite particles can be applied as promising tools for multimodal bioimaging. | ||||
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Language | Wos | 000384034600045 | Publication Date | 2016-05-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 64 | Open Access | OpenAccess |
Notes | Funding is acknowledged from the European Commission (Grant #310445-2 SAVVY), the European Research Council (ERC Advanced Grant #267867 Plasmaquo, and ERC Starting Grant #335078 Colouratom) and the Spanish MINECO (Project MAT2013-46101-R). We thank IKERLAT Polymers for the non-fluorescent PS beads and Prof. Juan Mareque, Prof. Soledad Penades and Dr. Sergio Moya (CIC biomagune) for borrowing various cell lines. D.M.S., J.M.T, and F.O. acknowledge funding from the European Regional Development Fund (ERDF) and the Spanish MINECO (Projects MAT2014-58201-C2-1-R, MAT2014- 58201-C2-2-R), from the ERDF and the Galician Regional Government under agreement for funding the Atlantic Research Center for Information and Communication Technologies (AtlantTIC), and from the ERDF and the Extremadura Regional Government (Junta de Extremadura) under Project IB13185. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ; ECAS_Sara; | Approved | Most recent IF: 4.536 | ||
Call Number | c:irua:133952 | Serial | 4082 | ||
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Author | Sevik, C.; Çakir, D.; Gulseren, O.; Peeters, F.M. | ||||
Title | Peculiar piezoelectric properties of soft two-dimensional materials | Type | A1 Journal article | ||
Year | 2016 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 120 | Issue | 120 | Pages | 13948-13953 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Group II-VI semiconductor honeycomb monolayers have a noncentrosymmetric crystal structure and therefore are expected to be important for nano piezoelectric device applications. This motivated us to perform first principles calculations based on density functional theory to unveil the piezoelectric properties (i.e., piezoelectric stress (e(11)) and piezoelectric strain (d(11)) coefficients) of these monolayer materials with chemical formula MX (where M = Be, Mg, Ca, Sr, Ba, Zr, Cd and X = S, Se, Te). We found that these two-dimensional materials have peculiar piezoelectric properties with d(11) coefficients 1 order of magnitude larger than those of commercially utilized bulk materials. A clear trend in their piezoelectric properties emerges, which | ||||
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Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000379457000010 | Publication Date | 2016-06-09 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 39 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government and the Bilateral program FWO-TUBITAK between Flanders and Turkey. We acknowledge the support from the Scientific and Technological Research Council of Turkey (TUBITAK-115F024). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (Cal-cUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C.S. acknowledges the support from the Scientific and Technological Research Council of Turkey (TUBITAK-113F333) and the support from Anadolu University (BAP-1407F335, -1505F200), and the Turkish Academy of Sciences (TUBA-GEBIP). ; | Approved | Most recent IF: 4.536 | ||
Call Number | UA @ lucian @ c:irua:134948 | Serial | 4222 | ||
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Author | Huygh, S.; Bogaerts, A.; Neyts, E.C. | ||||
Title | How Oxygen Vacancies Activate CO2 Dissociation on TiO2 Anatase (001) | Type | A1 Journal article | ||
Year | 2016 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 120 | Issue | 120 | Pages | 21659-21669 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The adsorption, dissociation, and diffusion of CO2 on the anatase (001) surface was studied using DFT by means of the generalized gradient approximation using the Perdew−Burcke−Ernzerhof (PBE)-functional and applying corrections for long-range dispersion interactions. Different stable adsorption configurations were identified for the fully oxidized surface. The most stable adsorption configuration is the monodentated carbonate-like structure. Small energy barriers were identified for the conversion of a physisorbed to a chemisorbed configuration. CO2 dissociation is found to be unfeasible on the stoichiometric surface. The introduction of oxygen vacancy defects gives rise to new highly stable adsorption configurations with a stronger activation of the C−O bonds. This leads to the possibility of exothermic dissociation of CO2 with barriers up to 22.2 kcal/mol, corresponding to chemical lifetimes of less than 4 s at 300 K. These reactions cause a CO molecule to be formed, which will easily desorb, and the reduced surface to become oxidized. It is clear that oxygen vacancy defects play a key role in the catalytic activity of an anatase (001) surface. Oxygen vacancies play an important role in the dissociation of CO2 on the anatase (001) surface, and will play a significant role in complex problems, such as the catalytic conversion of CO2 to value-added chemicals. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000384626800055 | Publication Date | 2016-09-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 49 | Open Access | |
Notes | Stijn Huygh is funded as an aspirant of the Research Foundation Flanders (FWO, project number 11C0115N). This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UAntwerpen. | Approved | Most recent IF: 4.536 | ||
Call Number | PLASMANT @ plasmant @ c:irua:136164 | Serial | 4291 | ||
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