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| Author | Kaliyappan, P.; Paulus, A.; D’Haen, J.; Samyn, P.; Uytdenhouwen, Y.; Hafezkhiabani, N.; Bogaerts, A.; Meynen, V.; Elen, K.; Hardy, A.; Van Bael, M.K. | ||||
| Title | Probing the impact of material properties of core-shell SiO₂@TiO₂ spheres on the plasma-catalytic CO₂ dissociation using a packed bed DBD plasma reactor | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Co2 Utilization | Abbreviated Journal | J Co2 Util |
| Volume | 46 | Issue | Pages | 101468 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma catalysis, a promising technology for conversion of CO2 into value-added chemicals near room temperature, is gaining increasing interest. A dielectric barrier discharge (DBD) plasma has attracted attention due to its simple design and operation at near ambient conditions, ease to implement catalysts in the plasma zone and upscaling ability to industrial applications. To improve its main drawbacks, being relatively low conversion and energy efficiency, a packing material is used in the plasma discharge zone of the reactor, sometimes decorated by a catalytic material. Nevertheless, the extent to which different properties of the packing material influence plasma performance is still largely unexplored and unknown. In this study, the particular effect of synthesis induced differences in the morphology of a TiO2 shell covering a SiO2 core packing material on the plasma conversion of CO2 is studied. TiO2 has been successfully deposited around 1.6–1.8 mm sized SiO2 spheres by means of spray coating, starting from aqueous citratoperoxotitanate(IV) precursors. Parameters such as concentration of the Ti(IV) precursor solutions and addition of a binder were found to affect the shells’ properties and surface morphology and to have a major impact on the CO2 conversion in a packed bed DBD plasma reactor. Core-shell SiO2@TiO2 obtained from 0.25 M citratoperoxotitante(IV) precursors with the addition of a LUDOX binder showed the highest CO2 conversion 37.7% (at a space time of 70 s corresponding to an energy efficiency of 2%) and the highest energy efficiency of 4.8% (at a space time of 2.5 s corresponding to a conversion of 3%). | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000634280300004 | Publication Date | 2021-02-15 | |
| Series Editor | Series Title  |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2212-9820 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.292 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.292 | |||
| Call Number | UA @ admin @ c:irua:175958 | Serial | 6773 | ||
| Permanent link to this record | |||||
| Author | Uytdenhouwen, Y. | ||||
| Title | Tuning the performance of a DBD plasma reactor for CO2 reforming | Type | Doctoral thesis | ||
| Year | 2020 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | 303 p. | ||
| Keywords | Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:174026 | Serial | 6774 | ||
| Permanent link to this record | |||||
| Author | Fatermans, J.; de Backer, A.; den Dekker, A.J.; Van Aert, S. | ||||
| Title | Atom column detection | Type | H2 Book chapter | ||
| Year | 2021 | Publication | Advances in imaging and electron physics T2 – Advances in imaging and electron physics | Abbreviated Journal | |
| Volume | Issue | Pages | 177-214 | ||
| Keywords | H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract | By combining statistical parameter estimation and model-order selection using a Bayesian framework, the maximum a posteriori (MAP) probability rule is proposed in this chapter as an objective and quantitative method to detect atom columns from high-resolution scanning transmission electron microscopy (HRSTEM) images. The validity and usefulness of this approach is demonstrated to both simulated and experimental annular dark-field (ADF) STEM images, but also to simultaneously acquired annular bright-field (ABF) and ADF STEM image data. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-03-06 | ||
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | 217 | Series Issue | Edition | ||
| ISSN | ISBN | 978-0-12-824607-8; 1076-5670 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | ERC Consolidator project funded by the European Union grant #770887 Picometrics | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:177531 | Serial | 6775 | ||
| Permanent link to this record | |||||
| Author | de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. | ||||
| Title | Atom counting | Type | H2 Book chapter | ||
| Year | 2021 | Publication | Advances in imaging and electron physics T2 – Advances in imaging and electron physics | Abbreviated Journal | |
| Volume | Issue | Pages | 91-144 | ||
| Keywords | H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract | In this chapter, a statistical model-based method to count the number of atoms of monotype crystalline nanostructures from high-resolution annular dark-field (ADF) scanning transmission electron microscopy (STEM) images is discussed in detail together with a thorough study on the possibilities and inherent limitations. We show that this method can be applied to nanocrystals of arbitrary shape, size, and atom type. The validity of the atom-counting results is confirmed by means of detailed image simulations and it is shown that the high sensitivity of our method enables us to count atoms with single atom sensitivity. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-03-06 | ||
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | 217 | Series Issue | Edition | ||
| ISSN | ISBN | 978-0-12-824607-8; 1076-5670 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | ERC Consolidator project funded by the European Union grant #770887 Picometrics | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:177529 | Serial | 6776 | ||
| Permanent link to this record | |||||
| Author | Cui, W.; Hu, Z.-Y.; Unocic, R.R.; Van Tendeloo, G.; Sang, X. | ||||
| Title | Atomic defects, functional groups and properties in MXenes | Type | A1 Journal article | ||
| Year | 2021 | Publication | Chinese Chemical Letters | Abbreviated Journal | Chinese Chem Lett |
| Volume | 32 | Issue | 1 | Pages | 339-344 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | MXenes, a new family of functional two-dimensional (2D) materials, have shown great potential for an extensive variety of applications within the last decade. Atomic defects and functional groups in MXenes are known to have a tremendous influence on the functional properties. In this review, we focus on recent progress in the characterization of atomic defects and functional group chemistry in MXenes, and how to control them to directly influence various properties (e.g., electron transport, Li' adsorption, hydrogen evolution reaction (HER) activity, and magnetism) of 2D MXenes materials. Dynamic structural transformations such as oxidation and growth induced by atomic defects in MXenes are also discussed. The review thus provides perspectives on property optimization through atomic defect engineering, and bottom-up synthesis methods based on defect-assisted homoepitaxial growth of MXenes. (C) 2020 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000618541800057 | Publication Date | 2020-04-17 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1001-8417 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.932 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 1.932 | |||
| Call Number | UA @ admin @ c:irua:177568 | Serial | 6777 | ||
| Permanent link to this record | |||||
| Author | de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. | ||||
| Title | Efficient fitting algorithm | Type | H2 Book chapter | ||
| Year | 2021 | Publication | Advances in imaging and electron physics T2 – Advances in imaging and electron physics | Abbreviated Journal | |
| Volume | Issue | Pages | 73-90 | ||
| Keywords | H2 Book chapter; Electron microscopy for materials research (EMAT) | ||||
| Abstract | An efficient model-based estimation algorithm is introduced to quantify the atomic column positions and intensities from atomic-resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for overlap between neighboring columns, enabling the analysis of a large field of view. To provide end-users with this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license. In this chapter, this efficient algorithm is applied to three different nanostructures for which the analysis of a large field of view is required. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-03-06 | ||
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | 217 | Series Issue | Edition | ||
| ISSN | ISBN | 978-0-12-824607-8; 1076-5670 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | ERC Consolidator project funded by the European Union grant #770887 Picometrics | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:177528 | Serial | 6778 | ||
| Permanent link to this record | |||||
| Author | Duarte, M.; Daems, N.; Hereijgers, J.; Arenas Esteban, D.; Bals, S.; Breugelmans, T. | ||||
| Title | Enhanced CO2 electroreduction with metal-nitrogen-doped carbons in a continuous flow reactor | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Co2 Utilization | Abbreviated Journal | J Co2 Util |
| Volume | 50 | Issue | Pages | 101583-12 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
| Abstract | As part of a mitigation and adaptation approach to increasing carbon dioxide atmospheric concentrations, we report superior performance of various metal-nitrogen-doped carbon catalysts, synthesized using an easily up-scalable method, for the electrochemical reduction to carbon monoxide and/or formate at industrially relevant current densities up to 200 mAcm−2. Altering the embedded transition metal (i.e. Sn, Co, Fe, Mn and Ni) allowed to tune the selectivity towards the desired product. Mn-N-C and Fe-N-C performance was compromised by its high CO* binding energy, while Co-N-C catalyzed preferentially the HER. Ni-N-C and Sn-N-C revealed to be promising electrocatalysts, the latter being evaluated for the first time in a flow reactor. A productivity of 589 L CO m-2 h-1 at -1.39 VRHE with Ni-N-C and 751 g HCOO- m-2 h-1 at -1.47 VRHE with Sn-N-C was achieved with no signs of degradation detected after 24 h of operation at industrially relevant current densities (100 mAcm−2). Stable operation at 200 mAcm−2 led to turnover frequencies for the production of carbon products of up to 5176 h-1. These enhanced productivities, in combination with high stability, constitute an essential step towards the scalability and ultimately towards the economical valorization of CO2 electrolyzers using metal-containing nitrogen-doped catalysts. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000670316000002 | Publication Date | 2021-05-28 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2212-9820 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.292 | Times cited | 14 | Open Access | OpenAccess |
| Notes | The authors acknowledge sponsoring from the Research Foundation – Flanders (FWO) in the frame of a post-doctoral grant (12Y3919N – ND). This project was co-funded by the Interreg 2 Seas-Program 2014-2020, co-financed by the European Fund for Regional Development in the frame of subsidiary contract nr. 2S03-019. This work was further performed in the framework of the Catalisti MOT project D2M (“Dioxide to Monoxide (D2M): Innovative catalysis for CO2 to CO conversion”). We thank Lien Pacquets for analyzing the samples with SEM-EDX, Saskia Defoss´e for helping with the N2 physisorption measurements and Kitty Baert (VUB) for analyzing the samples with XPS and Raman. | Approved | Most recent IF: 4.292 | ||
| Call Number | UA @ admin @ c:irua:178151 | Serial | 6779 | ||
| Permanent link to this record | |||||
| Author | Vishwakarma, M.; Kumar, M.; Hendrickx, M.; Hadermann, J.; Singh, A.P.; Batra, Y.; Mehta, B.R. | ||||
| Title | Enhancing the hydrogen evolution properties of kesterite absorber by Si-doping in the surface of CZTS thin film | Type | A1 Journal article | ||
| Year | 2021 | Publication | Advanced Materials Interfaces | Abbreviated Journal | Adv Mater Interfaces |
| Volume | Issue | Pages | 2002124 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In this work, the effects of Si-doping in Cu2ZnSnS4 are examined computationally and experimentally. The density functional theory calculations show that an increasing concentration of Si (from x = 0 to x = 1) yields a band gap rise due to shifting of the conduction band minimum towards higher energy states in the Cu2Zn(Sn1-xSix)S-4. CZTSiS thin film prepared by co-sputtering process shows Cu2Zn(Sn1-xSix)S-4 (Si-rich) and Cu2ZnSnS4 (S-rich) kesterite phases on the surface and in the bulk of the sample, respectively. A significant change in surface electronic properties is observed in CZTSiS thin film. Si-doping in CZTS inverts the band bending at grain-boundaries from downward to upward and the Fermi level of CZTSiS shifts upward. Further, the coating of the CdS and ZnO layer improves the photocurrent to approximate to 5.57 mA cm(-2) at -0.41 V-RHE in the CZTSiS/CdS/ZnO sample, which is 2.39 times higher than that of pure CZTS. The flat band potential increases from CZTS approximate to 0.43 V-RHE to CZTSiS/CdS/ZnO approximate to 1.31 V-RHE indicating the faster carrier separation process at the electrode-electrolyte interface in the latter sample. CdS/ZnO layers over CZTSiS significantly reduce the charge transfer resistance at the semiconductor-electrolyte interface. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000635804900001 | Publication Date | 2021-04-02 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2196-7350 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.279 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.279 | |||
| Call Number | UA @ admin @ c:irua:177688 | Serial | 6780 | ||
| Permanent link to this record | |||||
| Author | de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. | ||||
| Title | General conclusions and future perspectives | Type | H2 Book chapter | ||
| Year | 2021 | Publication | Advances in imaging and electron physics T2 – Advances in imaging and electron physics | Abbreviated Journal | |
| Volume | Issue | Pages | 243-253 | ||
| Keywords | H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract | This chapter provides an overview of statistical and quantitative methodologies that have pushed (scanning) transmission electron microscopy ((S)TEM) toward accurate and precise measurements of unknown structure parameters for understanding the relation between the structure of a material and its properties. Hereby, statistical parameter estimation theory has extensively been used which enabled not only measuring atomic column positions, but also quantifying the number of atoms, and detecting atomic columns as accurately and precisely as possible from experimental images. As a general conclusion, it can be stated that advanced statistical techniques are ideal tools to perform quantitative electron microscopy at the atomic scale. In the future, statistical methods will continue to be developed and novel quantification procedures will open up new possibilities for studying material structures at the atomic scale. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-03-06 | ||
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | 217 | Series Issue | Edition | ||
| ISSN | ISBN | 978-0-12-824607-8; 1076-5670 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | ERC Consolidator project funded by the European Union grant #770887 Picometrics | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:177533 | Serial | 6781 | ||
| Permanent link to this record | |||||
| Author | Fatermans, J.; de Backer, A.; den Dekker, A.J.; Van Aert, S. | ||||
| Title | Image-quality evaluation and model selection with maximum a posteriori probability | Type | H2 Book chapter | ||
| Year | 2021 | Publication | Advances in imaging and electron physics T2 – Advances in imaging and electron physics | Abbreviated Journal | |
| Volume | Issue | Pages | 215-242 | ||
| Keywords | H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract | The maximum a posteriori (MAP) probability rule for atom column detection can also be used as a tool to evaluate the relation between scanning transmission electron microscopy (STEM) image quality and atom detectability. In this chapter, a new image-quality measure is proposed that correlates well with atom detectability, namely the integrated contrast-to-noise ratio (ICNR). Furthermore, the working principle of the MAP probability rule is described in detail showing a close relation to the principles of model-selection methods. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-03-06 | ||
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | 217 | Series Issue | Edition | ||
| ISSN | ISBN | 978-0-12-824607-8; 1076-5670 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | ERC Consolidator project funded by the European Union grant #770887 Picometrics | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:177532 | Serial | 6782 | ||
| Permanent link to this record | |||||
| Author | Do, M.T.; Gauquelin, N.; Nguyen, M.D.; Blom, F.; Verbeeck, J.; Koster, G.; Houwman, E.P.; Rijnders, G. | ||||
| Title | Interface degradation and field screening mechanism behind bipolar-cycling fatigue in ferroelectric capacitors | Type | A1 Journal article | ||
| Year | 2021 | Publication | Apl Materials | Abbreviated Journal | Apl Mater |
| Volume | 9 | Issue | 2 | Pages | 021113 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Polarization fatigue, i.e., the loss of polarization of ferroelectric capacitors upon field cycling, has been widely discussed as an interface related effect. However, mechanism(s) behind the development of fatigue have not been fully identified. Here, we study the fatigue mechanisms in Pt/PbZr0.52Ti0.48O3/SrRuO3 (Pt/PZT/SRO) capacitors in which all layers are fabricated by pulsed laser deposition without breaking the vacuum. With scanning transmission electron microscopy, we observed that in the fatigued capacitor, the Pt/PZT interface becomes structurally degraded, forming a 5 nm-10 nm thick non-ferroelectric layer of crystalline ZrO2 and diffused Pt grains. We then found that the fatigued capacitors can regain the full initial polarization switching if the externally applied field is increased to at least 10 times the switching field of the pristine capacitor. These findings suggest that polarization fatigue is driven by a two-step mechanism. First, the transient depolarization field that repeatedly appears during the domain switching under field cycling causes decomposition of the metal/ferroelectric interface, resulting in a non-ferroelectric degraded layer. Second, this interfacial non-ferroelectric layer screens the external applied field causing an increase in the coercive field beyond the usually applied maximum field and consequently suppresses the polarization switching in the cycled capacitor. Our work clearly confirms the key role of the electrode/ferroelectric interface in the endurance of ferroelectric-based devices. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000630052100006 | Publication Date | 2021-02-09 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2166-532x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.335 | Times cited | 5 | Open Access | OpenAccess |
| Notes | This work was supported by the Nederlandse Organisatie voor Wetenschappelijk Onderzoek through Grant No. F62.3.15559. The Qu-Ant-EM microscope and the direct electron detector were partly funded by the Hercules fund from the Flemish Government. N.G. and J.V. acknowledge funding from the GOA project “Solarpaint” of the University of Antwerp. This work has also received funding from the European Union's Horizon 2020 research and innovation program under Grant No. 823717-ESTEEM3. We acknowledge D. Chezganov for his useful insights. | Approved | Most recent IF: 4.335 | ||
| Call Number | UA @ admin @ c:irua:177663 | Serial | 6783 | ||
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| Author | de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. | ||||
| Title | Introduction | Type | H2 Book chapter | ||
| Year | 2021 | Publication | Advances in imaging and electron physics T2 – Advances in imaging and electron physics | Abbreviated Journal | |
| Volume | Issue | Pages | 1-28 | ||
| Keywords | H2 Book chapter; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-03-06 | ||
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | 217 | Series Issue | Edition | ||
| ISSN | ISBN | 978-0-12-824607-8; 1076-5670 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | ERC Consolidator project funded by the European Union grant #770887 Picometrics | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:177525 | Serial | 6784 | ||
| Permanent link to this record | |||||
| Author | de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. | ||||
| Title | Optimal experiment design for nanoparticle atom counting from ADF STEM images | Type | H2 Book chapter | ||
| Year | 2021 | Publication | Advances in imaging and electron physics T2 – Advances in imaging and electron physics | Abbreviated Journal | |
| Volume | Issue | Pages | 145-175 | ||
| Keywords | H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract | In this chapter, the principles of detection theory are used to quantify the probability of error for atom counting from high-resolution scanning transmission electron microscopy (HRSTEM) images. Binary and multiple hypothesis testing have been investigated in order to determine the limits to the precision with which the number of atoms in a projected atomic column can be estimated. The probability of error has been calculated when using STEM images, scattering cross-sections or peak intensities as a criterion to count atoms. Based on this analysis, we conclude that scattering cross-sections perform almost equally well as images and perform better than peak intensities. Furthermore, the optimal STEM detector design can be derived for atom counting using the expression of the probability of error. We show that for very thin objects the low-angle annular dark-field (LAADF) regime is optimal and that for thicker objects the optimal inner detector angle increases. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-03-06 | ||
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | 217 | Series Issue | Edition | ||
| ISSN | ISBN | 978-0-12-824607-8; 1076-5670 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | ERC Consolidator project funded by the European Union grant #770887 Picometrics | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:177530 | Serial | 6785 | ||
| Permanent link to this record | |||||
| Author | Akamine, H.; Mitsuhara, M.; Nishida, M.; Samaee, V.; Schryvers, D.; Tsukamoto, G.; Kunieda, T.; Fujii, H. | ||||
| Title | Precipitation behaviors in Ti-2.3 Wt Pct Cu alloy during isothermal and two-step aging | Type | A1 Journal article | ||
| Year | 2021 | Publication | Metallurgical And Materials Transactions A-Physical Metallurgy And Materials Science | Abbreviated Journal | Metall Mater Trans A |
| Volume | 52 | Issue | Pages | 2760-2772 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Time evolution of precipitates related to age-hardening in Ti-2.3 wt pct Cu alloys was investigated by electron microscopy. In isothermal aging at 723 K, the hardness increases continuously owing to precipitation strengthening, whereas in two-step aging where the aging temperature is switched from 673 K to 873 K after 100 hours, the hardness is found to drastically drop after the aging temperature switches. In isothermal aging, metastable and stable precipitates are independently nucleated, whereas characteristic V-shaped clusters of precipitates are observed during the two-step aging. It is revealed by atomic-scale observations that the V-shaped clusters are composed of metastable and stable precipitates and each type of precipitate has a different orientation relationship with the alpha phase: (10 (3) over bar)//(0001)(alpha) and [0 (1) over bar0]//respectively. The drop in hardness during two-step aging can be explained by a synergistic effect of decreased precipitation strengthening and solid solution strengthening. (C) The Minerals, Metals & Materials Society and ASM International 2021 | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000644823000001 | Publication Date | 2021-04-27 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1073-5623 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.874 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 1.874 | |||
| Call Number | UA @ admin @ c:irua:178222 | Serial | 6786 | ||
| Permanent link to this record | |||||
| Author | Borah, R.; Ninakanti, R.; Nuyts, G.; Peeters, H.; Pedrazo-Tardajos, A.; Nuti, S.; Vande Velde, C.; De Wael, K.; Lenaerts, S.; Bals, S.; Verbruggen, S. | ||||
| Title | Selectivity in ligand functionalization of photocatalytic metal oxide nanoparticles for phase transfer and self‐assembly applications | Type | A1 Journal article | ||
| Year | 2021 | Publication | Chemistry-A European Journal | Abbreviated Journal | Chem-Eur J |
| Volume | Issue | Pages | chem.202100029-15 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) | ||||
| Abstract | Functionalization of photocatalytic metal oxide nanoparticles of TiO 2 , ZnO, WO 3 and CuO with amine‐terminated (oleylamine) and thiol‐terminated (1‐dodecanethiol) alkyl chained ligands was studied under ambient conditions. A high selectivity was observed in the binding specificity of a ligand towards nanoparticles of these different oxides. It was observed that oleylamine binds stably to only TiO 2 and WO 3 , while 1‐dodecanethiol binds stably only to ZnO and CuO. Similarly, polar to non‐polar solvent phase transfer of TiO 2 and WO 3 nanoparticles could be achieved by using oleylamine, but not by 1‐dodecanethiol, while the contrary holds for ZnO and CuO. The surface chemistry of ligand functionalized nanoparticles was probed by ATR‐FTIR spectroscopy, that enabled to elucidate the occupation of the ligands at the active sites. The photo‐stability of the ligands on the nanoparticle surface was determined by the photocatalytic self‐cleaning properties of the material. While TiO 2 and WO 3 degrade the ligands within 24 hours under both UV and visible light, ligands on ZnO and CuO remain unaffected. The gathered insights are also highly relevant from an application point of view. As an example, since the ligand functionalized nanoparticles are hydrophobic in nature, they can thus be self‐assembled at the air‐water interface, for obtaining nanoparticle films with demonstrated photocatalytic as well as anti‐fogging properties. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000652651400001 | Publication Date | 2021-04-21 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0947-6539 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.317 | Times cited | 15 | Open Access | OpenAccess |
| Notes | R.B. and S.W.V. acknowledge financial support from the University of Antwerp Special Research Fund (BOF) for a DOCPRO4 doctoral scholarship. S.B. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Program by means of the grant agreement no. 731019 EUSMI and the ERC Consolidator grant no. 815128 REALNANO.; sygmaSB | Approved | Most recent IF: 5.317 | ||
| Call Number | UA @ admin @ c:irua:177495 | Serial | 6787 | ||
| Permanent link to this record | |||||
| Author | de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. | ||||
| Title | Statistical parameter estimation theory : principles and simulation studies | Type | H2 Book chapter | ||
| Year | 2021 | Publication | Advances in imaging and electron physics T2 – Advances in imaging and electron physics | Abbreviated Journal | |
| Volume | Issue | Pages | 29-72 | ||
| Keywords | H2 Book chapter; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract | In this chapter, the principles of statistical parameter estimation theory for a quantitative analysis of atomic-resolution electron microscopy images are introduced. Within this framework, electron microscopy images are described by a parametric statistical model. Here, parametric models are introduced for different types of electron microscopy images: reconstructed exit waves, annular dark-field (ADF) scanning transmission electron microscopy (STEM) images, and simultaneously acquired ADF and annular bright-field (ABF) STEM images. Furthermore, the Cramér-Rao lower bound (CRLB) is introduced, i.e. a theoretical lower bound on the variance of any unbiased estimator. This CRLB is used to quantify the precision of the structure parameters of interest, such as the atomic column positions and the integrated atomic column intensities. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-03-06 | ||
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | 217 | Series Issue | Edition | ||
| ISSN | ISBN | 978-0-12-824607-8; 1076-5670 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | ERC Consolidator project funded by the European Union grant #770887 Picometrics | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:177527 | Serial | 6788 | ||
| Permanent link to this record | |||||
| Author | Fu, Y.; Ding, L.; Singleton, M.L.; Idrissi, H.; Hermans, S. | ||||
| Title | Synergistic effects altering reaction pathways : the case of glucose hydrogenation over Fe-Ni catalysts | Type | A1 Journal article | ||
| Year | 2021 | Publication | Applied Catalysis B-Environmental | Abbreviated Journal | Appl Catal B-Environ |
| Volume | 288 | Issue | Pages | 119997 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Carbon black (CB) supported Ni, Fe, or Fe-Ni alloy catalysts were synthesized by sol-gel to elucidate the reaction pathways over each catalyst, as well as synergistic effects in glucose to sorbitol hydrogenation. The bimetallic materials presented small and alloyed nanoparticles that were richer in reduced metallic sites at the surface than their monometallic counterparts. Glucose isomerization to fructose was favoured over Fe/CB, while glucose hydrogenation to sorbitol is the dominating pathway over Ni/CB catalyst. By contrast, sorbitol production was promoted and undesired isomerization was suppressed when Fe and Ni formed a nanoalloy. In addition, the alloy catalyst presented better stability than the corresponding monometallic catalyst. A comparison with a mechanical mixture of Fe/CB and Ni/CB monometallic catalysts demonstrated the synergy at the nanoscale in the alloy. By comparing different Fe:Ni ratios, the 1:1 formulation was identified as the best compromise to achieve a high activity while maintaining high sorbitol selectivity. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000632996500002 | Publication Date | 2021-02-17 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.446 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 9.446 | |||
| Call Number | UA @ admin @ c:irua:177621 | Serial | 6789 | ||
| Permanent link to this record | |||||
| Author | Bhaskar, G.; Gvozdetskyi, V.; Batuk, M.; Wiaderek, K.M.; Sun, Y.; Wang, R.; Zhang, C.; Carnahan, S.L.; Wu, X.; Ribeiro, R.A.; Bud'ko, S.L.; Canfield, P.C.; Huang, W.; Rossini, A.J.; Wang, C.-Z.; Ho, K.-M.; Hadermann, J.; Zaikina, J., V | ||||
| Title | Topochemical deintercalation of Li from layered LiNiB : toward 2D MBene | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of The American Chemical Society | Abbreviated Journal | J Am Chem Soc |
| Volume | 143 | Issue | 11 | Pages | 4213-4223 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The pursuit of two-dimensional (2D) borides, MBenes, has proven to be challenging, not the least because of the lack of a suitable precursor prone to the deintercalation. Here, we studied room-temperature topochemical deintercalation of lithium from the layered polymorphs of the LiNiB compound with a considerable amount of Li stored in between [NiB] layers (33 at. % Li). Deintercalation of Li leads to novel metastable borides (Li similar to 0.5NiB) with unique crystal structures. Partial removal of Li is accomplished by exposing the parent phases to air, water, or dilute HCl under ambient conditions. Scanning transmission electron microscopy and solid-state Li-7 and B-1(1) NMR spectroscopy, combined with X-ray pair distribution function (PDF) analysis and DFT calculations, were utilized to elucidate the novel structures of (Li similar to 0.5NiB) and the mechanism of Li-deintercalation. We have shown that the deintercalation of Li proceeds via a “zip-lock” mechanism, leading to the condensation of single [NiB] layers into double or triple layers bound via covalent bonds, resulting in structural fragments with Li[NiB](2) and Li[NiB](3) compositions. The crystal structure of Li similar to 0.5NiB is best described as an intergrowth of the ordered single [NiB], double [NiB](2), or triple [NiB](3) layers alternating with single Li layers; this explains its structural complexity. The formation of double or triple [NiB] layers induces a change in the magnetic behavior from temperature-independent paramagnets in the parent LiNiB compounds to the spin-glassiness in the deintercalated Li similar to 0.5NiB counterparts. LiNiB compounds showcase the potential to access a plethora of unique materials, including 2D MBenes (NiB). | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000634761500021 | Publication Date | 2021-03-15 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0002-7863 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 13.858 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 13.858 | |||
| Call Number | UA @ admin @ c:irua:177697 | Serial | 6790 | ||
| Permanent link to this record | |||||
| Author | Van Cauwenbergh, P.; Samaee, V.; Thijs, L.; Nejezchlebova, J.; Sedlak, P.; Ivekovic, A.; Schryvers, D.; Van Hooreweder, B.; Vanmeensel, K. | ||||
| Title | Unravelling the multi-scale structure-property relationship of laser powder bed fusion processed and heat-treated AlSi10Mg | Type | A1 Journal article | ||
| Year | 2021 | Publication | Scientific Reports | Abbreviated Journal | Sci Rep-Uk |
| Volume | 11 | Issue | 1 | Pages | 6423 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Tailoring heat treatments for Laser Powder Bed Fusion (LPBF) processed materials is critical to ensure superior and repeatable material properties for high-end applications. This tailoring requires in-depth understanding of the LPBF-processed material. Therefore, the current study aims at unravelling the threefold interrelationship between the process (LPBF and heat treatment), the microstructure at different scales (macro-, meso-, micro-, and nano-scale), and the macroscopic material properties of AlSi10Mg. A similar solidification trajectory applies at different length scales when comparing the solidification of AlSi10Mg, ranging from mould-casting to rapid solidification (LPBF). The similarity in solidification trajectories triggers the reason why the Brody-Flemings cellular microsegregation solidification model could predict the cellular morphology of the LPBF as-printed microstructure. Where rapid solidification occurs at a much finer scale, the LPBF microstructure exhibits a significant grain refinement and a high degree of silicon (Si) supersaturation. This study has identified the grain refinement and Si supersaturation as critical assets of the as-printed microstructure, playing a vital role in achieving superior mechanical and thermal properties during heat treatment. Next, an electrical conductivity model could accurately predict the Si solute concentration in LPBF-processed and heat-treated AlSi10Mg and allows understanding the microstructural evolution during heat treatment. The LPBF-processed and heat-treated AlSi10Mg conditions (as-built (AB), direct-aged (DA), stress-relieved (SR), preheated (PH)) show an interesting range of superior mechanical properties (tensile strength: 300-450 MPa, elongation: 4-13%) compared to the mould-cast T6 reference condition. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000632047000003 | Publication Date | 2021-03-19 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2045-2322 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.259 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.259 | |||
| Call Number | UA @ admin @ c:irua:177634 | Serial | 6791 | ||
| Permanent link to this record | |||||
| Author | Skorikov, A. | ||||
| Title | Fast approaches for investigating 3D elemental distribution in nanomaterials | Type | Doctoral thesis | ||
| Year | 2021 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | 143 p. | ||
| Keywords | Doctoral thesis; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:178855 | Serial | 6795 | ||
| Permanent link to this record | |||||
| Author | Xi, J.; Yang, S.; Silvioli, L.; Cao, S.; Liu, P.; Chen, Q.; Zhao, Y.; Sun, H.; Hansen, J.N.; Haraldsted, J.-P.B.; Kibsgaard, J.; Rossmeisl, J.; Bals, S.; Wang, S.; Chorkendorff, I. | ||||
| Title | Highly active, selective, and stable Pd single-atom catalyst anchored on N-doped hollow carbon sphere for electrochemical H₂O₂ synthesis under acidic conditions | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Catalysis | Abbreviated Journal | J Catal |
| Volume | 393 | Issue | Pages | 313-323 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Single-atom catalysts (SACs) have recently attracted broad scientific interests due to their unique structural feature, the single-atom dispersion. Optimized electronic structure as well as high stability are required for single-atom catalysts to enable efficient electrochemical production of H2O2. Herein, we report a facile synthesis method that stabilizes atomic Pd species on the reduced graphene oxide/Ndoped carbon hollow carbon nanospheres (Pd1/N-C). Pd1/N-C exhibited remarkable electrochemical H2O2 production rate with high faradaic efficiency, reaching 80%. The single-atom structure and its high H2O2 production rate were maintained even after 10,000 cycle stability test. The existence of single-atom Pd as well as its coordination with N species is responsible for its high activity, selectivity, and stability. The N coordination number and substrate doping around Pd atoms are found to be critical for an optimized adsorption energy of intermediate *OOH, resulting in efficient electrochemical H2O2 production. (C) 2020 Elsevier Inc. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000640923500003 | Publication Date | 2020-11-26 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-9517 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.844 | Times cited | 40 | Open Access | Not_Open_Access |
| Notes | This research was financially supported by the National Natural Science Foundation of China (No. 51772110), Natural Science Foundation of Hubei Province (No. 2019CFB539), Danmarks Innovationsfond within the ProActivE project (5160-00003B), Villum Foundation V-SUSTAIN grant 9455 to the Villum Center for the Science of Sustainable Fuels and Chemicals, the Carlsberg Foundation grant CF18-0435, the Institutional Research Program (2E30220) of the Korea Institute of Science and Technology (KIST), Shenzhen Science and Technology Plan under Grant (JCYJ20170818160751460) and the Open Project of Key Laboratory of Green Chemical Engineering Process of Ministry of Education (No. GCP20200205). The authors would like to acknowledge the Analytical and Testing Center of Huazhong University of Science and Technology and the Wuhan National Laboratory for Optoelectronics for SEM, TEM, Raman and XPS measurements. | Approved | Most recent IF: 6.844 | ||
| Call Number | UA @ admin @ c:irua:178321 | Serial | 6796 | ||
| Permanent link to this record | |||||
| Author | van der Jeught, S.; Muyshondt, P.G.G.; Lobato, I. | ||||
| Title | Optimized loss function in deep learning profilometry for improved prediction performance | Type | A1 Journal article | ||
| Year | 2021 | Publication | JPhys Photonics | Abbreviated Journal | |
| Volume | 3 | Issue | 2 | Pages | 024014 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Single-shot structured light profilometry (SLP) aims at reconstructing the 3D height map of an object from a single deformed fringe pattern and has long been the ultimate goal in fringe projection profilometry. Recently, deep learning was introduced into SLP setups to replace the task-specific algorithm of fringe demodulation with a dedicated neural network. Research on deep learning-based profilometry has made considerable progress in a short amount of time due to the rapid development of general neural network strategies and to the transferrable nature of deep learning techniques to a wide array of application fields. The selection of the employed loss function has received very little to no attention in the recently reported deep learning-based SLP setups. In this paper, we demonstrate the significant impact of loss function selection on height map prediction accuracy, we evaluate the performance of a range of commonly used loss functions and we propose a new mixed gradient loss function that yields a higher 3D surface reconstruction accuracy than any previously used loss functions. | ||||
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| Language | Wos | 000641030000001 | Publication Date | 2021-03-18 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2515-7647 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:178171 | Serial | 6797 | ||
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| Author | Skorikov, A.; Heyvaert, W.; Albecht, W.; Pelt, D.M.; Bals, S. | ||||
| Title | Deep learning-based denoising for improved dose efficiency in EDX tomography of nanoparticles | Type | A1 Journal article | ||
| Year | 2021 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 13 | Issue | Pages | 12242-12249 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The combination of energy-dispersive X-ray spectroscopy (EDX) and electron tomography is a powerful approach to retrieve the 3D elemental distribution in nanomaterials, providing an unprecedented level of information for complex, multi-component systems, such as semiconductor devices, as well as catalytic and plasmonic nanoparticles. Unfortunately, the applicability of EDX tomography is severely limited because of extremely long acquisition times and high electron irradiation doses required to obtain 3D EDX reconstructions with an adequate signal-to-noise ratio. One possibility to address this limitation is intelligent denoising of experimental data using prior expectations about the objects of interest. Herein, this approach is followed using the deep learning methodology, which currently demonstrates state-of-the-art performance for an increasing number of data processing problems. Design choices for the denoising approach and training data are discussed with a focus on nanoparticle-like objects and extremely noisy signals typical for EDX experiments. Quantitative analysis of the proposed method demonstrates its significantly enhanced performance in comparison to classical denoising approaches. This allows for improving the tradeoff between the reconstruction quality, acquisition time and radiation dose for EDX tomography. The proposed method is therefore especially beneficial for the 3D EDX investigation of electron beam-sensitive materials and studies of nanoparticle transformations. | ||||
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| Language | Wos | 000671395800001 | Publication Date | 2021-07-08 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 11 | Open Access | OpenAccess |
| Notes | Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 016.Veni.192.235 ; H2020 European Research Council, 815128 ; H2020 Marie Skłodowska-Curie Actions, 797153 ; H2020 Research Infrastructures, 731019; realnano; sygmaSB | Approved | Most recent IF: 7.367 | ||
| Call Number | EMAT @ emat @c:irua:179756 | Serial | 6799 | ||
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| Author | Leinders, G.; Baldinozzi, G.; Ritter, C.; Saniz, R.; Arts, I.; Lamoen, D.; Verwerft, M. | ||||
| Title | Charge Localization and Magnetic Correlations in the Refined Structure of U3O7 | Type | A1 Journal article | ||
| Year | 2021 | Publication | Inorganic Chemistry | Abbreviated Journal | Inorg Chem |
| Volume | 60 | Issue | 14 | Pages | 10550-10564 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Atomic arrangements in the mixed-valence oxide U3O7 are refined from high-resolution neutron scattering data. The crystallographic model describes a long-range structural order in a U60O140 primitive cell (space group P42/n) containing distorted cuboctahedral oxygen clusters. By combining experimental data and electronic structure calculations accounting for spin–orbit interactions, we provide robust evidence of an interplay between charge localization and the magnetic moments carried by the uranium atoms. The calculations predict U3O7 to be a semiconducting solid with a band gap of close to 0.32 eV, and a more pronounced charge-transfer insulator behavior as compared to the well-known Mott insulator UO2. Most uranium ions (56 out of 60) occur in 9-fold and 10-fold coordinated environments, surrounding the oxygen clusters, and have a tetravalent (24 out of 60) or pentavalent (32 out of 60) state. The remaining uranium ions (4 out of 60) are not contiguous to the oxygen cuboctahedra and have a very compact, 8-fold coordinated environment with two short (2 × 1.93(3) Å) “oxo-type” bonds. The higher Hirshfeld charge and the diamagnetic character point to a hexavalent state for these four uranium ions. Hence, the valence state distribution corresponds to 24/60 × U(IV) + 32/60 U(V) + 4/60 U(VI). The tetravalent and pentavalent uranium ions are predicted to carry noncollinear magnetic moments (with amplitudes of 1.6 and 0.8 μB, respectively), resulting in canted ferromagnetic order in characteristic layers within the overall fluorite-related structure. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000675430900049 | Publication Date | 2021-07-19 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0020-1669 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.857 | Times cited | Open Access | OpenAccess | |
| Notes | Financial support for this research was partly provided by the Energy Transition Fund of the Belgian FPS Economy (Project SF-CORMOD – Spent Fuel CORrosion MODeling). This work was performed in part using HPC resources from GENCI-IDRIS (Grants 2020-101450 and 2020-101601), and in part 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. GL thanks E. Suard and C. Schreinemachers for assistance during the neutron scattering experiments at the ILL. GB acknowledges V. Petříček for suggestions on using JANA2006. | Approved | Most recent IF: 4.857 | ||
| Call Number | EMAT @ emat @c:irua:179907 | Serial | 6801 | ||
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| Author | Arenas-Vivo, A.; Rojas, S.; Ocaña, I.; Torres, A.; Liras, M.; Salles, F.; Arenas-Esteban, D.; Bals, S.; Ávila, D.; Horcajada, P. | ||||
| Title | Ultrafast reproducible synthesis of a Ag-nanocluster@MOF composite and its superior visible-photocatalytic activity in batch and in continuous flow | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Materials Chemistry A | Abbreviated Journal | J Mater Chem A |
| Volume | 9 | Issue | 28 | Pages | 15704-15713 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The (photo)catalytic properties of metal–organic frameworks (MOFs) can be enhanced by post-synthetic inclusion of metallic species in their porosity. Due to their extraordinarily high surface area and well defined porous structure, MOFs can be used for the stabilization of metal nanoparticles with adjustable size within their porosity. Originally, we present here an optimized ultrafast photoreduction protocol for the<italic>in situ</italic>synthesis of tiny and monodisperse silver nanoclusters (AgNCs) homogeneously supported on a photoactive porous titanium carboxylate MIL-125-NH<sub>2</sub>MOF. The strong metal–framework interaction between –NH<sub>2</sub>and Ag atoms influences the AgNC growth, leading to the surfactant-free efficient catalyst AgNC@MIL-125-NH<sub>2</sub>with improved visible light absorption. The potential use of AgNC@MIL-125-NH<sub>2</sub>was further tested in challenging applications: (i) the photodegradation of the emerging organic contaminants (EOCs) methylene blue (MB-dye) and sulfamethazine (SMT-antibiotic) in water treatment, and (ii) the catalytic hydrogenation of<italic>p</italic>-nitroaniline (4-NA) to<italic>p</italic>-phenylenediamine (PPD) with industrial interest. It is noteworthy that compared with the pristine MIL-125-NH<sub>2</sub>, the composite presents an improved catalytic activity and stability, being able to photodegrade 92% of MB in 60 min and 96% of SMT in 30 min, and transform 100% of 4-NA to PPD in 30 min. Aside from these very good results, this study describes for the first time the use of a MOF in a visible light continuous flow reactor for wastewater treatment. With only 10 mg of AgNC@MIL-125-NH<sub>2</sub>, high SMT removal efficiency over 70% is maintained after >2 h under water flow conditions found in real wastewater treatment plants, signaling a future real application of MOFs in water remediation. | ||||
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| Language | Wos | 000671839200001 | Publication Date | 2021-06-21 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2050-7488 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.867 | Times cited | 18 | Open Access | OpenAccess |
| Notes | Comunidad de Madrid, CAM PEJD-2016/IND-2828 Talento Modality 2, 2017-T2/IND-5149 ; Secretaría de Estado de Investigación, Desarrollo e Innovación, Raphuel project (ENE2016-79608-C2-1-R) Retos Project MAT2017-84385-R ; Ministerio de Ciencia e Innovación, Juan de la Cierva Incorporación Fellowship (grant agreement no. IJC2019-038894-I) MOFSEIDON project (PID2019-104228RB-I00) Ramón y Cajal, Grant Agreements 2014-15039 and 2015-18677 ; Fundación BBVA, IN[17]CBBQUI_0197 ; H2020 European Research Council, ERC Consolidator Grant REALNANO 815128 Grant Agreement no. 731019 (EUSMI) ; sygmaSB; | Approved | Most recent IF: 8.867 | ||
| Call Number | EMAT @ emat @c:irua:179791 | Serial | 6802 | ||
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| Author | Boschker, H.T.S.; Cook, P.L.M.; Polerecky, L.; Eachambadi, R.T.; Lozano, H.; Hidalgo-Martinez, S.; Khalenkow, D.; Spampinato, V.; Claes, N.; Kundu, P.; Wang, D.; Bals, S.; Sand, K.K.; Cavezza, F.; Hauffman, T.; Bjerg, J.T.; Skirtach, A.G.; Kochan, K.; McKee, M.; Wood, B.; Bedolla, D.; Gianoncelli, A.; Geerlings, N.M.J.; Van Gerven, N.; Remaut, H.; Geelhoed, J.S.; Millan-Solsona, R.; Fumagalli, L.; Nielsen, L.P.; Franquet, A.; Manca, J.V.; Gomila, G.; Meysman, F.J.R. | ||||
| Title | Efficient long-range conduction in cable bacteria through nickel protein wires | Type | A1 Journal article | ||
| Year | 2021 | Publication | Nature Communications | Abbreviated Journal | Nat Commun |
| Volume | 12 | Issue | 1 | Pages | 3996 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Filamentous cable bacteria display long-range electron transport, generating electrical currents over centimeter distances through a highly ordered network of fibers embedded in their cell envelope. The conductivity of these periplasmic wires is exceptionally high for a biological material, but their chemical structure and underlying electron transport mechanism remain unresolved. Here, we combine high-resolution microscopy, spectroscopy, and chemical imaging on individual cable bacterium filaments to demonstrate that the periplasmic wires consist of a conductive protein core surrounded by an insulating protein shell layer. The core proteins contain a sulfur-ligated nickel cofactor, and conductivity decreases when nickel is oxidized or selectively removed. The involvement of nickel as the active metal in biological conduction is remarkable, and suggests a hitherto unknown form of electron transport that enables efficient conduction in centimeter-long protein structures. | ||||
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| Language | Wos | 000669944900006 | Publication Date | 2021-06-28 | |
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| ISSN | 2041-1723 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 23 | Open Access | OpenAccess |
| Notes | The authors thank Marlies Neiemeisland for assistance with Raman microscopy, Michiel Kienhuis for assistance with NanoSIMS analysis, Peter Hildebrandt and Diego Millo for helping with the interpretation of the Raman spectra, IONTOF for the Orbitrap Hybrid- SIMS analysis, and Rene Fabregas for helping with finite-element numerical modeling for SDM. H.T.S.B. and F.J.R.M. were financially supported by the Netherlands Organization for Scientific Research (VICI grant 016.VICI.170.072). Research Foundation Flanders supported F.J.R.M., J.V.M., and R.T.E. through FWO grant G031416N, and F.J.R.M. and J.S.G. through FWO grant G038819N. N.M.J.G. is the recipient of a Ph.D. scholarship for teachers from NWO in the Netherlands (grant 023.005.049). The NanoSIMS facility at Utrecht University was financed through a large infrastructure grant by the Netherlands Organization for Scientific Research (NWO, grant no. 175.010.2009.011) and through a Research Infrastructure Fund by the Utrecht University Board. A.G.S. is supported by the Special Research Fund (BOF) of Ghent University (BOF14/IOP/003, BAS094-18, 01IO3618) and FWO (G043219). The ToF-SIMS was funded by FWO Hercules grant (ZW/13/07) to J.V.M. and A.F. H.L., R.M.S., and G.G. were funded by the European Union H2020 Framework Programme (MSCA-ITN-2016) under grant agreement n 721874.EU, the Spanish Agencia Estatal de Investigación and EU FEDER under grant agreements TEC2016-79156-P and TEC2015-72751-EXP, the Generalitat de Catalunya through 2017-SGR1079 grant and CERCA Program. G.G. was recipient of an ICREA Academia Award, and H.L. of a FPI fellowship (BES-2015-074799) from the Agencia Estatal de Investigación/Fondo Social Europeo. L.F. received funding from the European Research Council (grant agreement No. 819417) under the European Union’s Horizon 2020 research and innovation programme. | Approved | Most recent IF: 12.124 | ||
| Call Number | EMAT @ emat @c:irua:179813 | Serial | 6803 | ||
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| Author | Mychinko, M.; Skorikov, A.; Albrecht, W.; Sánchez‐Iglesias, A.; Zhuo, X.; Kumar, V.; Liz‐Marzán, L.M.; Bals, S. | ||||
| Title | The Influence of Size, Shape, and Twin Boundaries on Heat‐Induced Alloying in Individual Au@Ag Core–Shell Nanoparticles | Type | A1 Journal article | ||
| Year | 2021 | Publication | Small | Abbreviated Journal | Small |
| Volume | Issue | Pages | 2102348 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Environmental conditions during real-world application of bimetallic core–shell nanoparticles (NPs) often include the use of elevated temperatures, which are known to cause elemental redistribution, in turn significantly altering the properties of these nanomaterials. Therefore, a thorough understanding of such processes is of great importance. The recently developed combination of fast electron tomography with in situ heating holders is a powerful approach to investigate heat-induced processes at the single NP level, with high spatial resolution in 3D. In combination with 3D finite-difference diffusion simulations, this method can be used to disclose the influence of various NP parameters on the diffusion dynamics in Au@Ag core–shell systems. A detailed study of the influence of heating on atomic diffusion and alloying for Au@Ag NPs with varying core morphology and crystallographic details is carried out. Whereas the core shape and aspect ratio of the NPs play a minor role, twin boundaries are found to have a strong influence on the elemental diffusion. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000673326600001 | Publication Date | 2021-07-14 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1613-6810 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.643 | Times cited | 8 | Open Access | OpenAccess |
| Notes | The funding for this project was provided by European Research Council (ERC Consolidator Grant 815128, REALNANO) and European Commission (grant 731019, EUSMI and grant 26019, ESTEEM). This work was performed under the Maria de Maeztu Units of Excellence Programme-Grant No. MDM-2017-0720, Ministry of Science and Innovation.; sygmaSB | Approved | Most recent IF: 8.643 | ||
| Call Number | EMAT @ emat @c:irua:179856 | Serial | 6804 | ||
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| Author | Albrecht, W.; Arslan Irmak, E.; Altantzis, T.; Pedrazo‐Tardajos, A.; Skorikov, A.; Deng, T.‐S.; van der Hoeven, J.E.S.; van Blaaderen, A.; Van Aert, S.; Bals, S. | ||||
| Title | 3D Atomic‐Scale Dynamics of Laser‐Light‐Induced Restructuring of Nanoparticles Unraveled by Electron Tomography | Type | A1 Journal article | ||
| Year | 2021 | Publication | Advanced Materials | Abbreviated Journal | Adv Mater |
| Volume | Issue | Pages | 2100972 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
| Abstract | Understanding light–matter interactions in nanomaterials is crucial for optoelectronic, photonic, and plasmonic applications. Specifically, metal nanoparticles (NPs) strongly interact with light and can undergo shape transformations, fragmentation and ablation upon (pulsed) laser excitation. Despite being vital for technological applications, experimental insight into the underlying atomistic processes is still lacking due to the complexity of such measurements. Herein, atomic resolution electron tomography is performed on the same mesoporous-silica-coated gold nanorod, before and after femtosecond laser irradiation, to assess the missing information. Combined with molecular dynamics (MD) simulations based on the experimentally determined 3D atomic-scale morphology, the complex atomistic rearrangements, causing shape deformations and defect generation, are unraveled. These rearrangements are simultaneously driven by surface diffusion, facet restructuring, and strain formation, and are influenced by subtleties in the atomic distribution at the surface. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000671662000001 | Publication Date | 2021-07-11 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0935-9648 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 19.791 | Times cited | 8 | Open Access | OpenAccess |
| Notes | W.A. and E.A.I. contributed equally to this work. The authors acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128 – REALNANO and No. 770887 – PICOMETRICS), the European Union’s Seventh Framework Programme (ERC Advanced Grant No. 291667 – HierarSACol), and the European Commission (EUSMI). W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in the Horizon2020 program (Grant 797153, SOPMEN). T.-S.D. acknowledges financial support from the National Science Foundation of China (NSFC, Grant No. 61905056). The authors also acknowledge financial support by the Research Foundation Flanders (FWO Grant G.0267.18N).; sygmaSB | Approved | Most recent IF: 19.791 | ||
| Call Number | EMAT @ emat @c:irua:179781 | Serial | 6805 | ||
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| Author | De wael, A.; De Backer, A.; Lobato, I.; Van Aert, S. | ||||
| Title | Modelling ADF STEM images using elliptical Gaussian peaks and its effects on the quantification of structure parameters in the presence of sample tilt | Type | A1 Journal article | ||
| Year | 2021 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | Issue | Pages | 113391 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A small sample tilt away from a main zone axis orientation results in an elongation of the atomic columns in ADF STEM images. An often posed research question is therefore whether the ADF STEM image intensities of tilted nanomaterials should be quantified using a parametric imaging model consisting of elliptical rather than the currently used symmetrical peaks. To this purpose, simulated ADF STEM images corresponding to different amounts of sample tilt are studied using a parametric imaging model that consists of superimposed 2D elliptical Gaussian peaks on the one hand and symmetrical Gaussian peaks on the other hand. We investigate the quantification of structural parameters such as atomic column positions and scattering cross sections using both parametric imaging models. In this manner, we quantitatively study what can be gained from this elliptical model for quantitative ADF STEM, despite the increased parameter space and computational effort. Although a qualitative improvement can be achieved, no significant quantitative improvement in the estimated structure parameters is achieved by the elliptical model as compared to the symmetrical model. The decrease in scattering cross sections with increasing sample tilt is even identical for both types of parametric imaging models. This impedes direct comparison with zone axis image simulations. Nonetheless, we demonstrate how reliable atom-counting can still be achieved in the presence of small sample tilt. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000704334200001 | Publication Date | 2021-09-24 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.843 | Times cited | Open Access | OpenAccess | |
| Notes | This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 770887 and No. 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through grants to A.D.w. and A.D.B. and projects G.0502.18N, G.0267.18N, and EOS 30489208. S.V.A. acknowledges TOP BOF funding from the University of Antwerp.; esteem3JRA; esteem3reported | Approved | Most recent IF: 2.843 | ||
| Call Number | EMAT @ emat @c:irua:181462 | Serial | 6810 | ||
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| Author | Dingenen, F.; Blommaerts, N.; Van Hal, M.; Borah, R.; Arenas-Esteban, D.; Lenaerts, S.; Bals, S.; Verbruggen, S.W. | ||||
| Title | Layer-by-Layer-Stabilized Plasmonic Gold-Silver Nanoparticles on TiO2: Towards Stable Solar Active Photocatalysts | Type | A1 Journal article | ||
| Year | 2021 | Publication | Nanomaterials | Abbreviated Journal | Nanomaterials-Basel |
| Volume | 11 | Issue | 10 | Pages | 2624 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | To broaden the activity window of TiO2, a broadband plasmonic photocatalyst has been designed and optimized. This plasmonic ‘rainbow’ photocatalyst consists of TiO2 modified with gold–silver composite nanoparticles of various sizes and compositions, thus inducing a broadband interaction with polychromatic solar light. However, these nanoparticles are inherently unstable, especially due to the use of silver. Hence, in this study the application of the layer-by-layer technique is introduced to create a protective polymer shell around the metal cores with a very high degree of control. Various TiO2 species (pure anatase, PC500, and P25) were loaded with different plasmonic metal loadings (0–2 wt %) in order to identify the most solar active composite materials. The prepared plasmonic photocatalysts were tested towards stearic acid degradation under simulated sunlight. From all materials tested, P25 + 2 wt % of plasmonic ‘rainbow’ nanoparticles proved to be the most promising (56% more efficient compared to pristine P25) and was also identified as the most cost-effective. Further, 2 wt % of layer-by-layer-stabilized ‘rainbow’ nanoparticles were loaded on P25. These layer-by-layer-stabilized metals showed superior stability under a heated oxidative atmosphere, as well as in a salt solution. Finally, the activity of the composite was almost completely retained after 1 month of aging, while the nonstabilized equivalent lost 34% of its initial activity. This work shows for the first time the synergetic application of a plasmonic ‘rainbow’ concept and the layer-by-layer stabilization technique, resulting in a promising solar active, and long-term stable photocatalyst. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000712759800001 | Publication Date | 2021-10-06 | |
| Series Editor | Series Title |
Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2079-4991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.553 | Times cited | 7 | Open Access | OpenAccess |
| Notes | Research was funded by Research Foundation—Flanders (FWO), FN 700300001— Aspirant F. Dingenen. | Approved | Most recent IF: 3.553 | ||
| Call Number | EMAT @ emat @c:irua:183281 | Serial | 6812 | ||
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