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Author Yusupov, M.; Lackmann, J.-W.; Razzokov, J.; Kumar, S.; Stapelmann, K.; Bogaerts, A.
  Title Impact of plasma oxidation on structural features of human epidermal growth factor Type A1 Journal article
  Year 2018 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 15 Issue 8 Pages 1800022
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We perform computer simulations supported by experiments to investigate the oxidation of an important signaling protein, that is, human epidermal growth factor (hEGF), caused by cold atmospheric plasma (CAP) treatment. Specifically, we study the conformational changes of hEGF with different degrees of oxidation, to mimic short and long CAP treatment times. Our results indicate that the oxidized structures become more flexible, due to their conformational changes and breakage of the disulfide bonds, especially at higher oxidation degrees. MM/GBSA calculations reveal that an increasing oxidation level leads to a lower binding free energy of hEGF with its receptor. These results help to understand the fundamentals of the use of CAP for wound healing versus cancer treatment at short and longer treatment times.
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  Publisher Place of Publication Editor
  Language Wos 000441895700004 Publication Date 2018-05-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.846 Times cited 7 Open Access Not_Open_Access
  Notes Fonds Wetenschappelijk Onderzoek, 1200216N ; Bundesministerium für Bildung und Forschung, 03Z22DN12 ; Approved Most recent IF: 2.846
  Call Number PLASMANT @ plasmant @c:irua:152815 Serial 5008
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Author Brandenburg, R.; Bogaerts, A.; Bongers, W.; Fridman, A.; Fridman, G.; Locke, B.R.; Miller, V.; Reuter, S.; Schiorlin, M.; Verreycken, T.; Ostrikov, K.K.
  Title White paper on the future of plasma science in environment, for gas conversion and agriculture Type A1 Journal article
  Year 2019 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 16 Issue 1 Pages 1700238
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Climate change, environmental pollution control, and resource utilization efficiency, as well as food security, sustainable agriculture, and water supply are among the main challenges facing society today. Expertise across different academic fields, technologies,anddisciplinesisneededtogeneratenewideastomeetthesechallenges. This “white paper” aims to provide a written summary by describing the main aspects and possibilities of the technology. It shows that plasma science and technology can make significant contributions to address the mentioned issues. The paper also addresses to people in the scientific community (inside and outside plasma science) to give inspiration for further work in these fields.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000455413600004 Publication Date 2018-07-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.846 Times cited 19 Open Access Not_Open_Access
  Notes This paper is a result of the PlasmaShape project, supported by funding from the European Union Seventh Framework Programme (FP7/2007-2013) under grant agreement no. 316216. During this project, young scientists and renowned and outstanding scientists collaborated in the development of a political-scientific consensus paper as well as six scientific, strategic white papers. In an unique format core themes such as energy, optics and glass, medicine and hygiene, aerospace and automotive, plastics and textiles, environment and agriculture and their future development were discussed regarding scientific relevance and economic impact. We would like to thank our colleagues from 18 nations from all over the world (Australia, Belgium, Czech Republic, PR China, France, Germany, Great Britain, Italy, Japan, The Netherlands, Poland, Romania, Russia, Slovakia, Slovenia, Sweden, Switzerland, USA) who have participated both workshops of Future in Plasma Science I and II in Greifswald in 2015/2016. The valuable contribution of all participants during the workshops, the intensive cooperation between the project partners, and the comprehensive input of all working groups of Future in Plasma Science was the base for the present paper. Kindly acknowledged is the support of graphical work by C. Desjardins and K. Drescher. Approved Most recent IF: 2.846
  Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:156389 Serial 5146
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Author Duan, J.; Ma, M.; Yusupov, M.; Cordeiro, R.M.; Lu, X.; Bogaerts, A.
  Title The penetration of reactive oxygen and nitrogen species across the stratum corneum Type A1 Journal article
  Year 2020 Publication Plasma Processes And Polymers Abbreviated Journal Plasma Process Polym
  Volume Issue Pages
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The penetration of reactive oxygen and nitrogen species (RONS) across the stratum corneum (SC) is a necessary and crucial process in many skin‐related plasma medical applications. To gain more insights into this penetration behavior, we combined experimental measurements of the permeability of dry and moist SC layers with computer simulations of model lipid membranes. We measured the permeation of relatively stable molecules, which are typically generated by plasma, namely H2O2, NO3−, and NO2−. Furthermore, we calculated the permeation free energy profiles of the major plasma‐generated RONS and their derivatives (i.e., H2O2, OH, HO2, O2, O3, NO, NO2, N2O4, HNO2, HNO3, NO2−, and NO3−) across native and oxidized SC lipid bilayers, to understand the mechanisms of RONS permeation across the SC. Our results indicate that hydrophobic RONS (i.e., NO, NO2, O2, O3, and N2O4) can translocate more easily across the SC lipid bilayer than hydrophilic RONS (i.e., H2O2, OH, HO2, HNO2, and HNO3) and ions (i.e., NO2− and NO3−) that experience much higher permeation barriers. The permeability of RONS through the SC skin lipids is enhanced when the skin is moist and the lipids are oxidized. These findings may help to understand the underlying mechanisms of plasma interaction with a biomaterial and to optimize the environmental parameters in practice in plasma medical applications.
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  Language Wos 000536892900001 Publication Date 2020-06-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.5 Times cited Open Access
  Notes National Natural Science Foundation of China, 51625701 51977096 ; Fonds Wetenschappelijk Onderzoek, 1200219N ; China Scholarship Council, 201806160128 ; M. Y. acknowledges the Research Foundation Flanders (FWO) for financial support (Grant No. 1200219N). This study was partially supported by the National Natural Science Foundation of China (Grant No: 51625701 and 51977096) and the China Scholarship Council (Grant No: 201806160128). All computational work was performed using the Turing HPC infrastructure at the CalcUA Core Facility of the University of Antwerp (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA. Approved Most recent IF: 3.5; 2020 IF: 2.846
  Call Number PLASMANT @ plasmant @c:irua:169709 Serial 6372
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Author Yusupov, M.; Dewaele, D.; Attri, P.; Khalilov, U.; Sobott, F.; Bogaerts, A.
  Title Molecular understanding of the possible mechanisms of oligosaccharide oxidation by cold plasma Type A1 Journal article
  Year 2022 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume Issue Pages
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Cold atmospheric plasma (CAP) is a promising technology for several medical applications, including the removal of biofilms from surfaces. However, the molecular mechanisms of CAP treatment are still poorly understood. Here we unravel the possible mechanisms of CAP‐induced oxidation of oligosaccharides, employing reactive molecular dynamics simulations based on the density functional‐tight binding potential. Specifically, we find that the interaction of oxygen atoms (used as CAP‐generated reactive species) with cellotriose (a model system for the oligosaccharides) can break structurally important glycosidic bonds, which subsequently leads to the disruption of the oligosaccharide molecule. The overall results help to shed light on our experimental evidence for cellotriose CAP. This oxidation by study provides atomic‐level insight into the onset of plasma‐induced removal of biofilms, as oligosaccharides are one of the main components of biofilm.
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  Language Wos 000865844800001 Publication Date 2022-10-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.5 Times cited Open Access OpenAccess
  Notes Fonds Wetenschappelijk Onderzoek, 1200219N ; They also acknowledge the Turing HPC infrastructure at the CalcUA core facility of the University of Antwerp (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA, where all computational work was performed. This study was financially supported by the Research Foundation–Flanders (FWO) (grant number 1200219N). Approved Most recent IF: 3.5
  Call Number PLASMANT @ plasmant @c:irua:191404 Serial 7113
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Author Chai, Z.-N.; Wang, X.-C.; Yusupov, M.; Zhang, Y.-T.
  Title Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning Type A1 Journal article
  Year 2024 Publication Plasma processes and polymers Abbreviated Journal
  Volume Issue Pages 1-26
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma medicine has attracted tremendous interest in a variety of medical conditions, ranging from wound healing to antimicrobial applications, even in cancer treatment, through the interactions of cold atmospheric plasma (CAP) and various biological tissues directly or indirectly. The underlying mechanisms of CAP treatment are still poorly understood although the oxidative effects of CAP with amino acids, peptides, and proteins have been explored experimentally. In this study, machine learning (ML) technology is introduced to efficiently unveil the interaction mechanisms of amino acids and reactive oxygen species (ROS) in seconds based on the data obtained from the reactive molecular dynamics (MD) simulations, which are performed to probe the interaction of five types of amino acids with various ROS on the timescale of hundreds of picoseconds but with the huge computational load of several days. The oxidative reactions typically start with H-abstraction, and the details of the breaking and formation of chemical bonds are revealed; the modification types, such as nitrosylation, hydroxylation, and carbonylation, can be observed. The dose effects of ROS are also investigated by varying the number of ROS in the simulation box, indicating agreement with the experimental observation. To overcome the limits of timescales and the size of molecular systems in reactive MD simulations, a deep neural network (DNN) with five hidden layers is constructed according to the reaction data and employed to predict the type of oxidative modification and the probability of occurrence only in seconds as the dose of ROS varies. The well-trained DNN can effectively and accurately predict the oxidative processes and productions, which greatly improves the computational efficiency by almost ten orders of magnitude compared with the reactive MD simulation. This study shows the great potential of ML technology to efficiently unveil the underpinning mechanisms in plasma medicine based on the data from reactive MD simulations or experimental measurements. In this study, since reactive molecular dynamics simulation can currently only describe interactions between a few hundred atoms in a few hundred picoseconds, deep neural networks (DNN) are introduced to enhance the simulation results by predicting more data efficiently. image
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  Publisher Place of Publication Editor
  Language Wos 001202061200001 Publication Date 2024-04-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.5 Times cited Open Access
  Notes Approved Most recent IF: 3.5; 2024 IF: 2.846
  Call Number UA @ admin @ c:irua:205512 Serial 9181
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Author Ramakers, M.; Michielsen, I.; Aerts, R.; Meynen, V.; Bogaerts, A.
  Title Effect of argon or helium on the CO2 conversion in a dielectric barrier discharge Type A1 Journal article
  Year 2015 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 12 Issue 12 Pages 755-763
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract This paper demonstrates that the CO2 conversion in a dielectric barrier discharge rises drastically upon addition of Ar or He, and the effect is more pronounced for Ar than for He. The effective CO2 conversion, on the other hand, drops upon addition of Ar or He, which is logical due to the lower CO2 content in the gas mixture, and the same is true for the energy efficiency, because a considerable fraction of the energy is then consumed into ionization/excitation of Ar or He atoms. The higher absolute CO2 conversion upon addition of Ar or He can be explained by studying in detail the Lissajous plots and the current profiles. The breakdown voltage is lower in the CO2/Ar and CO2/He mixtures, and the discharge gap is more filled with plasma, which enhances the possibility for CO2 conversion. The rates of electron impact excitationdissociation of CO2, estimated from the electron densities and mean electron energies, are indeed higher in the CO2/Ar and (to a lower extent) in the CO2/He mixtures, compared to the pure CO2 plasma. Moreover, charge transfer between Ar+ or Ar2+ ions and CO2, followed by electron-ion dissociative recombination of the CO2+ ions, might also contribute to, or even be dominant for the CO2 dissociation. All these effects can explain the higher CO2 conversion, especially upon addition of Ar, but also upon addition of He.
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  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000359672400007 Publication Date 2015-02-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.846 Times cited 63 Open Access
  Notes Approved Most recent IF: 2.846; 2015 IF: 2.453
  Call Number c:irua:126822 Serial 799
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Author Yusupov, M.; Neyts, E.C.; Verlackt, C.C.; Khalilov, U.; van Duin, A.C.T.; Bogaerts, A.
  Title Inactivation of the endotoxic biomolecule lipid A by oxygen plasma species : a reactive molecular dynamics study Type A1 Journal article
  Year 2015 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 12 Issue 12 Pages 162-171
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Reactive molecular dynamics simulations are performed to study the interaction of reactive oxygen species, such as OH, HO2 and H2O2, with the endotoxic biomolecule lipid A of the gram-negative bacterium Escherichia coli. It is found that the aforementioned plasma species can destroy the lipid A, which consequently results in reducing its toxic activity. All bond dissociation events are initiated by hydrogen-abstraction reactions. However, the mechanisms behind these dissociations are dependent on the impinging plasma species, i.e. a clear difference is observed in the mechanisms upon impact of HO2 radicals and H2O2 molecules on one hand and OH radicals on the other hand. Our simulation results are in good agreement with experimental observations.
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  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000350275400005 Publication Date 2014-09-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.846 Times cited 18 Open Access
  Notes Approved Most recent IF: 2.846; 2015 IF: 2.453
  Call Number c:irua:123540 Serial 1589
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Author Somers, W.; Dubreuil, M.F.; Neyts, E.C.; Vangeneugden, D.; Bogaerts, A.
  Title Incorporation of fluorescent dyes in atmospheric pressure plasma coatings for in-line monitoring of coating homogeneity Type A1 Journal article
  Year 2014 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 11 Issue 7 Pages 678-684
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract This paper reports on the incorporation of three commercial fluorescent dyes, i.e., rhodamine 6G, fluorescein, and fluorescent brightener 184, in plasma coatings, by utilizing a dielectric barrier discharge (DBD) reactor, and the subsequent monitoring of the coatings homogeneity based on the emitted fluorescent light. The plasma coatings are qualitatively characterized with fluorescence microscopy, UVvis spectroscopy and profilometry for the determination of the coating thickness. The emitted fluorescent light of the coating correlates to the amount of dye per area, and deviations of these factors can hence be observed by monitoring the intensity of this light. This allows monitoring the homogeneity of the plasma coatings in a fast and simple way, without making major adjustments to the process.
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  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000340416300007 Publication Date 2014-05-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.846 Times cited 3 Open Access
  Notes Approved Most recent IF: 2.846; 2014 IF: 2.453
  Call Number UA @ lucian @ c:irua:118063 Serial 1598
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Author Saraiva, M.; Chen, H.; Leroy, W.P.; Mahieu, S.; Jehanathan, N.; Lebedev, O.; Georgieva, V.; Persoons, R.; Depla, D.
  Title Influence of Al content on the properties of MgO grown by reactive magnetron sputtering Type A1 Journal article
  Year 2009 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 6 Issue S:1 Pages S751-S754
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In the present work, reactive magnetron sputtering in DC mode was used to grow complex oxide thin films, starting from two separate pure metal targets. A series of coatings was produced with a stoichiometry of the film ranging from MgO, over MgxAlyOz to Al2O3. The surface energy, crystallinity, hardness, refractive index, and surface roughness were investigated. A relationship between all properties studied and the Mg content of the samples was found. A critical compositional region for the Mg-Al-O system where all properties exhibit a change was noticed.
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  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000272302900144 Publication Date 2009-09-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.846 Times cited 13 Open Access
  Notes Iwt Approved Most recent IF: 2.846; 2009 IF: 4.037
  Call Number UA @ lucian @ c:irua:79363 Serial 1613
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Author Bogaerts, A.; Yusupov, M.; Van der Paal, J.; Verlackt, C.C.W.; Neyts, E.C.
  Title Reactive molecular dynamics simulations for a better insight in plasma medicine Type A1 Journal article
  Year 2014 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 11 Issue 12 Pages 1156-1168
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this review paper, we present several examples of reactive molecular dynamics simulations, which contribute to a better understanding of the underlying mechanisms in plasma medicine on the atomic scale. This includes the interaction of important reactive oxygen plasma species with the outer cell wall of both gram-positive and gram-negative bacteria, and with lipids present in human skin. Moreover, as most biomolecules are surrounded by a liquid biofilm, the behavior of these plasma species in a liquid (water) layer is presented as well. Finally, a perspective for future atomic scale modeling studies is given, in the field of plasma medicine in general, and for cancer treatment in particular.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000346034700007 Publication Date 2014-09-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.846 Times cited 22 Open Access
  Notes Approved Most recent IF: 2.846; 2014 IF: 2.453
  Call Number UA @ lucian @ c:irua:121269 Serial 2822
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Author Bogaerts, A.; Bultinck, E.; Eckert, M.; Georgieva, V.; Mao, M.; Neyts, E.; Schwaederlé, L.
  Title Computer modeling of plasmas and plasma-surface interactions Type A1 Journal article
  Year 2009 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 6 Issue 5 Pages 295-307
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this paper, an overview is given of different modeling approaches used for describing gas discharge plasmas, as well as plasma-surface interactions. A fluid model is illustrated for describing the detailed plasma chemistry in capacitively coupled rf discharges. The strengths and limitations of Monte Carlo simulations and of a particle-in-cell-Monte Carlo collisions model are explained for a magnetron discharge, whereas the capabilities of a hybrid Monte Carlo-fluid approach are illustrated for a direct current glow discharge used for spectrochemical analysis of materials. Finally, some examples of molecular dynamics simulations, for the purpose of plasma-deposition, are given.
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  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000266471800003 Publication Date 2009-04-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850;1612-8869; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.846 Times cited 18 Open Access
  Notes Approved Most recent IF: 2.846; 2009 IF: 4.037
  Call Number UA @ lucian @ c:irua:76833 Serial 461
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Author Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Kolev, I.; Madani, M.; Neyts, E.
  Title Computer simulations for processing plasmas Type A1 Journal article
  Year 2006 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 3 Issue 2 Pages 110-119
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
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  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000235628300003 Publication Date 2006-02-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1612-8850;1612-8869; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.846 Times cited 8 Open Access
  Notes Approved Most recent IF: 2.846; 2006 IF: 2.298
  Call Number UA @ lucian @ c:irua:56076 Serial 465
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Author Zheng, G.; de Marchi, S.; Lopez-Puente, V.; Sentosun, K.; Polavarapu, L.; Perez-Juste, I.; Hill, E.H.; Bals, S.; Liz-Marzan, L.M.; Pastoriza-Santos, I.; Perez-Juste, J.
  Title Encapsulation of Single Plasmonic Nanoparticles within ZIF-8 and SERS Analysis of the MOF Flexibility Type A1 Journal article
  Year 2016 Publication Small Abbreviated Journal Small
  Volume 12 Issue 12 Pages 3935-3943
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Hybrid nanostructures composed of metal nanoparticles and metal-organic frameworks (MOFs) have recently received increasing attention toward various applications due to the combination of optical and catalytic properties of nanometals with the large internal surface area, tunable crystal porosity and unique chemical properties of MOFs. Encapsulation of metal nanoparticles of well-defined shapes into porous MOFs in a core-shell type configuration can thus lead to enhanced stability and selectivity in applications such as sensing or catalysis. In this study, the encapsulation of single noble metal nanoparticles with arbitrary shapes within zeolitic imidazolate-based metal organic frameworks (ZIF-8) is demonstrated. The synthetic strategy is based on the enhanced interaction between ZIF-8 nanocrystals and metal nanoparticle surfaces covered by quaternary ammonium surfactants. High resolution electron microscopy and tomography confirm a complete core-shell morphology. Such a well-defined morphology allowed us to study the transport of guest molecules through the ZIF-8 porous shell by means of surface-enhanced Raman scattering by the metal cores. The results demonstrate that even molecules larger than the ZIF-8 aperture and pore size may be able to diffuse through the framework and reach the metal core.
  Address Departamento de Quiimica Fisica, Universidade de Vigo, 36310, Vigo, Spain
  Corporate Author Thesis
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  Language English Wos 000383375500006 Publication Date 2016-06-06
  Series Editor Series Title Abbreviated Series Title
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  ISSN (up) 1613-6810 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.643 Times cited 140 Open Access OpenAccess
  Notes This work was supported by the Spanish Ministerio de Economía y Competitividad (MAT2013-45168-R) and the Xunta de Galicia/FEDER (Grant No. GPC2013-006; INBIOMED-FEDER “Unha maneira de facer Europa”). L.M.L.-M. acknowledges funding from the European Union’s Seventh Framework Programme (FP7/2007-2013 under grant agreement No. 312184, SACS). S.B. acknowledges financial support from European Research Council (ERC) (ERC Starting Grant No. 335078-COLOURATOM). The authors thank Prof. Paolo Fornasiero for the nitrogen adsorption measurements. E.H.H. acknowledges the Spanish MINECO for a Juan de la Cierva fellowship. S.D.M. acknowledges the support from CsF/CNPq-Brazil fellowship.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 8.643
  Call Number c:irua:133953 Serial 4083
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Author Nord, M.; Semisalova, A.; Kákay, A.; Hlawacek, G.; MacLaren, I.; Liersch, V.; Volkov, O.M.; Makarov, D.; Paterson, G.W.; Potzger, K.; Lindner, J.; Fassbender, J.; McGrouther, D.; Bali, R.
  Title Strain Anisotropy and Magnetic Domains in Embedded Nanomagnets Type A1 Journal article
  Year 2019 Publication Small Abbreviated Journal Small
  Volume Issue Pages 1904738
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Nanoscale modifications of strain and magnetic anisotropy can open pathways to engineering magnetic domains for device applications. A periodic magnetic domain structure can be stabilized in sub‐200 nm wide linear as well as curved magnets, embedded within a flat non‐ferromagnetic thin film. The nanomagnets are produced within a non‐ferromagnetic B2‐ordered Fe60Al40 thin film, where local irradiation by a focused ion beam causes the formation of disordered and strongly ferromagnetic regions of A2 Fe60Al40. An anisotropic lattice relaxation is observed, such that the in‐plane lattice parameter is larger when measured parallel to the magnet short‐axis as compared to its length. This in‐plane structural anisotropy manifests a magnetic anisotropy contribution, generating an easy‐axis parallel to the short axis. The competing effect of the strain and shape anisotropies stabilizes a periodic domain pattern in linear as well as spiral nanomagnets, providing a versatile and geometrically controllable path to engineering the strain and thereby the magnetic anisotropy at the nanoscale.
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  Language Wos 000495563400001 Publication Date 2019-11-11
  Series Editor Series Title Abbreviated Series Title
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  ISSN (up) 1613-6810 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.643 Times cited 2 Open Access
  Notes Deutsche Forschungsgemeinschaft, BA5656/1‐1 ; Engineering and Physical Sciences Research Council, EP/M009963/1 ; Approved Most recent IF: 8.643
  Call Number EMAT @ emat @c:irua:164059 Serial 5376
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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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  Publisher Place of Publication Editor
  Language Wos 000673326600001 Publication Date 2021-07-14
  Series Editor Series Title Abbreviated Series Title
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  ISSN (up) 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 Marchetti, A.; Gori, A.; Ferretti, A.M.; Esteban, D.A.; Bals, S.; Pigliacelli, C.; Metrangolo, P.
  Title Templated Out‐of‐Equilibrium Self‐Assembly of Branched Au Nanoshells Type A1 Journal article
  Year 2023 Publication Small Abbreviated Journal
  Volume Issue Pages 2206712
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Out-of-equilibrium self-assembly of metal nanoparticles (NPs) has been devised using different types of strategies and fuels, but the achievement of finite 3D structures with a controlled morphology through this assembly mode is still rare. Here we used a spherical peptide-gold superstructure (PAuSS) as a template to control the out-of-equilibrium self-assembly of Au NPs, obtaining a transient 3D branched Au-nanoshell (BAuNS) stabilized by sodium dodecyl sulphate (SDS). The BAuNS dismantled upon concentration gradient equilibration over time in the solution, leading to NPs disassembly. Notably, BAuNS assembly and disassembly favoured temporary interparticle plasmonic coupling, leading to a remarkable oscillation of their optical properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000914725800001 Publication Date 2023-01-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1613-6810 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.3 Times cited 1 Open Access OpenAccess
  Notes European Research Council, ERC‐2017‐PoC MINIRES 789815 ERC‐2012‐StG_20111012 FOLDHALO 307108 815128 ; Approved Most recent IF: 13.3; 2023 IF: 8.643
  Call Number EMAT @ emat @c:irua:194299 Serial 7247
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Author Marchetti, A.; Gori, A.; Ferretti, A.M.; Esteban, D.A.; Bals, S.; Pigliacelli, C.; Metrangolo, P.
  Title Templated Out‐of‐Equilibrium Self‐Assembly of Branched Au Nanoshells (Small 12/2023) Type A1 Journal Article
  Year 2023 Publication Small Abbreviated Journal Small
  Volume 19 Issue 12 Pages
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract Out-of-equilibrium self-assembly of metal nanoparticles (NPs) has been devised using different

types of strategies and fuels, but the achievement of finite 3D structures with a controlled

morphology through this assembly mode is still rare. Here we used a spherical peptide-gold

superstructure (PAuSS) as a template to control the out-of-equilibrium self-assembly of Au NPs,

obtaining a transient 3D branched Au-nanoshell (BAuNS) stabilized by sodium dodecyl sulphate

(SDS). The BAuNS dismantled upon concentration gradient equilibration over time in the solution,

leading to NPs disassembly. Notably, BAuNS assembly and disassembly favoured temporary

interparticle plasmonic coupling, leading to a remarkable oscillation of their optical properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2023-03-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1613-6810 ISBN Additional Links UA library record
  Impact Factor 13.3 Times cited Open Access Not_Open_Access
  Notes P.M. is grateful to the European Research Council (ERC) for the Starting Grant ERC-2012- StG_20111012 FOLDHALO (Grant Agreement no. 307108) and the Proof-of-Concept Grant ERC-2017-PoC MINIRES (Grant Agreement no.789815). A. M. and P. M. are thankful to the project Hydrogex funded by Cariplo Foundation (grant no. 2018-1720). D.A.E. and S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO and Grant Agreement No. 731019 (EUSMI). Approved Most recent IF: 13.3; 2023 IF: 8.643
  Call Number EMAT @ emat @c:irua:200859 Serial 8960
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Author Ke, X.; Turner, S.; Quintana, M.; Hadad, C.; Montellano-López, A.; Carraro, M.; Sartorel, A.; Bonchio, M.; Prato, M.; Bittencourt, C.; Van Tendeloo, G.;
  Title Dynamic motion of Ru-polyoxometalate ions (POMs) on functionalized few-layer graphene Type A1 Journal article
  Year 2013 Publication Small Abbreviated Journal Small
  Volume 9 Issue 23 Pages 3922-3927
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The interaction and stability of Ru4POM on few layer graphene via functional groups is investigated by time-dependent imaging using aberration-corrected transmission electron microscopy. The Ru4POM demonstrates dynamic motion on the graphene surface with its frequency and amplitude of rotation related to the nature of the functional group used. The stability of the Ru4POMgraphene hybrid corroborates its long-term robustness when applied to multielectronic catalytic processes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000331282400003 Publication Date 2013-07-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1613-6810; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.643 Times cited 16 Open Access
  Notes IAP-7; Countatoms; Approved Most recent IF: 8.643; 2013 IF: 7.514
  Call Number UA @ lucian @ c:irua:115768 Serial 763
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Author Rehor, I.; Slegerova, J.; Kucka, J.; Proks, V.; Petrakova, V.; Adam, M.P.; Treussart, F.; Turner, S.; Bals, S.; Sacha, P.; Ledvina, M.; Wen, A.M.; Steinmetz, N.F.; Cigler, P.;
  Title Fluorescent nanodiamonds embedded in biocompatible translucent shells Type A1 Journal article
  Year 2014 Publication Small Abbreviated Journal Small
  Volume 10 Issue 6 Pages 1106-1115
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract High pressure high temperature (HPHT) nanodiamonds (NDs) represent extremely promising materials for construction of fluorescent nanoprobes and nanosensors. However, some properties of bare NDs limit their direct use in these applications: they precipitate in biological solutions, only a limited set of bio-orthogonal conjugation techniques is available and the accessible material is greatly polydisperse in shape. In this work, we encapsulate bright 30-nm fluorescent nanodiamonds (FNDs) in 1020-nm thick translucent (i.e., not altering FND fluorescence) silica shells, yielding monodisperse near-spherical particles of mean diameter 66 nm. High yield modification of the shells with PEG chains stabilizes the particles in ionic solutions, making them applicable in biological environments. We further modify the opposite ends of PEG chains with fluorescent dyes or vectoring peptide using click chemistry. High conversion of this bio-orthogonal coupling yielded circa 2000 dye or peptide molecules on a single FND. We demonstrate the superior properties of these particles by in vitro interaction with human prostate cancer cells: while bare nanodiamonds strongly aggregate in the buffer and adsorb onto the cell membrane, the shell encapsulated NDs do not adsorb nonspecifically and they penetrate inside the cells.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000333538000012 Publication Date 2014-02-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1613-6810; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.643 Times cited 79 Open Access Not_Open_Access
  Notes 262348 ESMI; Hercules; FWO Approved Most recent IF: 8.643; 2014 IF: 8.368
  Call Number UA @ lucian @ c:irua:115566 Serial 1234
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Author Gengler, R.Y.N.; Toma, L.M.; Pardo, E.; Lloret, F.; Ke, X.; Van Tendeloo, G.; Gournis, D.; Rudolf, P.
  Title Prussian blue analogues of reduced dimensionality Type A1 Journal article
  Year 2012 Publication Small Abbreviated Journal Small
  Volume 8 Issue 16 Pages 2532-2540
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Mixed-valence polycyanides (Prussian Blue analogues) possess a rich palette of properties spanning from room-temperature ferromagnetism to zero thermal expansion, which can be tuned by chemical modifications or the application of external stimuli (temperature, pressure, light irradiation). While molecule-based materials can combine physical and chemical properties associated with molecular-scale building blocks, their successful integration into real devices depends primarily on higher-order properties such as crystal size, shape, morphology, and organization. Herein a study of a new reduced-dimensionality system based on Prussian Blue analogues (PBAs) is presented. The system is built up by means of a modified Langmuir-Blodgett technique, where the PBA is synthesized from precursors in a self-limited reaction on a clay mineral surface. The focus of this work is understanding the magnetic properties of the PBAs in different periodic, low-dimensional arrangements, and the influence of the “on surface” synthesis on the final properties and dimensionality of the system.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000307390300012 Publication Date 2012-07-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1613-6810; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.643 Times cited 17 Open Access
  Notes Approved Most recent IF: 8.643; 2012 IF: 7.823
  Call Number UA @ lucian @ c:irua:101104 Serial 2736
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Author Wang, Y.; Belén Serrano, A.; Sentosun, K.; Bals, S.; Liz-Marzán, L.M.
  Title Stabilization and encapsulation of gold nanostars mediated by dithiols Type A1 Journal article
  Year 2015 Publication Small Abbreviated Journal Small
  Volume 11 Issue 11 Pages 4314-4320
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Surface chemistry plays a pivotal role in regulating the morphology of nanoparticles, maintaining colloidal stability, and mediating the interaction with target analytes toward practical applications such as surface-enhanced Raman scattering (SERS)-based sensing and imaging. The use of a binary ligand mixture composed of 1,4-benzenedithiol (BDT) and hexadecyltrimethylammonium chloride (CTAC) to provide gold nanostars with long-term stability is reported. This is despite BDT being a bifunctional ligand, which usually leads to bridging and loss of colloidal stability. It is found however that neither BDT nor CTAC alone are able to provide sufficient colloidal and chemical stability. BDT-coated Au nanostars are additionally used as seeds to direct the encapsulation with a gold outer shell, leading to the formation of unusual nanostructures including semishell-coated gold nanostars, which are characterized by high-resolution electron microscopy and electron tomography. Finally, BDT is exploited as a probe to reveal the enhanced local electric fields in the different nanostructures, showing that the semishell configuration provides significantly high SERS signals as compared to other coreshell configurations obtained during seeded growth, including full shells.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000360852900009 Publication Date 2015-06-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1613-6810; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.643 Times cited 36 Open Access OpenAccess
  Notes 267867 Plasmaquo; 335078 Colouratom; 262348 Esmi; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 8.643; 2015 IF: 8.368
  Call Number c:irua:127571 Serial 3136
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Author Goris, B.; van Huis, M.A.; Bals, S.; Zandbergen, H.W.; Manna, L.; Van Tendeloo, G.
  Title Thermally induced structural and morphological changes of CdSe/CdS octapods Type A1 Journal article
  Year 2012 Publication Small Abbreviated Journal Small
  Volume 8 Issue 6 Pages 937-942
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Branched nanostructures are of great interest because of their promising optical and electronic properties. For successful and reliable integration in applications such as photovoltaic devices, the thermal stability of the nanostructures is of major importance. Here the different domains (CdSe cores, CdS pods) of the heterogeneous octapods are shown to have different thermal stabilities, and heating is shown to induce specific shape changes. The octapods are heated from room temperature to 700 °C, and investigated using (analytical and tomographic) transmission electron microscopy (TEM). At low annealing temperatures, pure Cd segregates in droplets at the outside of the octapods, indicating non-stochiometric composition of the octapods. Furthermore, the tips of the pods lose their faceting and become rounded. Further heating to temperatures just below the sublimation temperature induces growth of the zinc blende core at the expense of the wurtzite pods. At higher temperatures, (500700 °C), sublimation of the octapods is observed in real time in the TEM. Three-dimensional tomographic reconstructions reveal that the four pods pointing into the vacuum have a lower thermal stability than the four pods that are in contact with the support.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000301718800021 Publication Date 2012-01-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1613-6810; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.643 Times cited 20 Open Access
  Notes Fwo; Esteem 026019 Approved Most recent IF: 8.643; 2012 IF: 7.823
  Call Number UA @ lucian @ c:irua:95040 Serial 3633
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Author Grodzińska, D.; Evers, W.H.; Dorland, R.; van Rijssel, J.; van Huis, M.A.; Meijerink, A.; de Mello Donegá, C.; Vanmaekelbergh, D.
  Title Two-fold emission from the S-shell of PbSe/CdSe core/shell quantum dots Type A1 Journal article
  Year 2011 Publication Small Abbreviated Journal Small
  Volume 7 Issue 24 Pages 3493-3501
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The optical properties of PbSe/CdSe core/shell quantum dots with core sizes smaller than 4 nm in the 5300 K range are reported. The photoluminescence spectra show two peaks, which become increasingly separated in energy as the core diameter is reduced below 4 nm. It is shown that these peaks are due to intrinsic exciton transitions in each quantum dot, rather than emission from different quantum dot sub-ensembles. Most likely, the energy separation between the peaks is due to inter-valley coupling between the L-points of PbSe. The temperature dependence of the relative intensities of the peaks implies that the two emitting states are not in thermal equilibrium and that dark exciton states must play an important role.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000298298300012 Publication Date 2011-10-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1613-6810; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.643 Times cited 23 Open Access
  Notes Approved Most recent IF: 8.643; 2011 IF: 8.349
  Call Number UA @ lucian @ c:irua:94371 Serial 3781
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Author Vlasov, I.I.; Shenderova, O.; Turner, S.; Lebedev, O.I.; Basov, A.A.; Sildos, I.; Rähn, M.; Shiryaev, A.A.; Van Tendeloo, G.
  Title Nitrogen and luminescent nitrogen-vacancy defects in detonation nanodiamond Type A1 Journal article
  Year 2010 Publication Small Abbreviated Journal Small
  Volume 6 Issue 5 Pages 687-694
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract An efficient method to investigate the microstructure and spatial distribution of nitrogen and nitrogen-vacancy (N-V) defects in detonation nanodiamond (DND) with primary particle sizes ranging from approximately 3 to 50 nm is presented. Detailed analysis reveals atomic nitrogen concentrations as high as 3 at% in 50% of diamond primary particles with sizes smaller than 6 nm. A non-uniform distribution of nitrogen within larger primary DND particles is also presented, indicating a preference for location within the defective central part or at twin boundaries. A photoluminescence (PL) spectrum with well-pronounced zero-phonon lines related to the N-V centers is demonstrated for the first time for electron-irradiated and annealed DND particles at continuous laser excitation. Combined Raman and PL analysis of DND crystallites dispersed on a Si substrate leads to the conclusion that the observed N-V luminescence originates from primary particles with sizes exceeding 30 nm. These findings demonstrate that by manipulation of the size/nitrogen content in DND there are prospects for mass production of nanodiamond photoemitters based on bright and stable luminescence from nitrogen-related defects.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000275972400013 Publication Date 2010-01-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1613-6810;1613-6829; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.643 Times cited 84 Open Access
  Notes Esteem 026019 Approved Most recent IF: 8.643; 2010 IF: 7.336
  Call Number UA @ lucian @ c:irua:82364 Serial 2341
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Author Ben Dkhil, S.; Pfannmöller, M.; Bals, S.; Koganezawa, T.; Yoshimoto, N.; Hannani, D.; Gaceur, M.; Videlot-Ackermann, C.; Margeat, O.; Ackermann, J.
  Title Square-centimeter-sized high-efficiency polymer solar cells : how the processing atmosphere and film quality influence performance at large scale Type A1 Journal article
  Year 2016 Publication Laser physics review Abbreviated Journal Adv Energy Mater
  Volume 6 Issue 6 Pages 1600290
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Organic solar cells based on two benzodithiophene-based polymers (PTB7 and PTB7-Th) processed at square centimeter-size under inert atmosphere and ambient air, respectively, are investigated. It is demonstrated that the performance of solar cells processed under inert atmosphere is not limited by the upscaling of photoactive layer and the interfacial layers. Thorough morphological and electrical characterizations of optimized layers and corresponding devices reveal that performance losses due to area enlargement are only caused by the sheet resistance of the transparent electrode reducing the effi ciency from 9.3% of 7.8% for PTB7-Th in the condition that both photoactive layer and the interfacial layers are of high layer quality. Air processing of photoactive layer and the interfacial layers into centimeter-sized solar cells lead to additional, but only slight, losses (< 10%) in all photovoltaic parameters, which can be addressed to changes in the electronic properties of both active layer and ZnO layers rather than changes in layer morphology. The demonstrated compatibility of polymer solar cells using solution-processed photoactive layer and interfacial layers with large area indicates that the introduction of a standard active area of 1 cm(2) for measuring effi ciency of organic record solar cells is feasible. However electric standards for indium tin oxides (ITO) or alternative transparent electrodes need to be developed so that performance of new photovoltaic materials can be compared at square centimeter-size.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Place of publication unknown Editor
  Language Wos 000379314700010 Publication Date 2016-05-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1614-6832 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 16.721 Times cited 6 Open Access Not_Open_Access
  Notes ; The authors acknowledge financial support by the French Fond Unique Intermisteriel (FUI) under the project “SFUMATO” (Grant number: F1110019V/ 201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7-contract no. 287594). Generalitat Valenciana (ISIC/2012/008 Institute of Nanotechnologies for Clean Energies) is also acknowledged for providing financial support. The synchrotron radiation experiments were performed at BL46XU and BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (Proposal Nos. 2014B1916 and 2015A1984). The authors further acknowledge financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). ; Approved Most recent IF: 16.721
  Call Number UA @ lucian @ c:irua:134951 Serial 4249
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Author Guerrero, A.; Heidari, H.; Ripolles, T.S.; Kovalenko, A.; Pfannmöller, M.; Bals, S.; Kauffmann, L.-D.; Bisquert, J.; Garcia-Belmonte, G.
  Title Shelf life degradation of bulk heterojunction solar cells : intrinsic evolution of charge transfer complex Type A1 Journal article
  Year 2015 Publication Laser physics review Abbreviated Journal Adv Energy Mater
  Volume 5 Issue 5 Pages 1401997
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Achievement of long-term stability of organic photovoltaics is currently one of the major topics for this technology to reach maturity. Most of the techniques used to reveal degradation pathways are destructive and/or do not allow for real-time measurements in operating devices. Here, three different, nondestructive techniques able to provide real-time information, namely, film absorbance, capacitance-voltage (C-V), and impedance spectroscopy (IS), are combined over a period of 1 year using non-accelerated intrinsic degradation conditions. It is discerned between chemical modifications in the active layer, physical processes taking place in the bulk of the blend from those at the active layer/contact interfaces. In particular, it is observed that during the ageing experiment, the main source for device performance degradation is the formation of donor-acceptor charge-transfer complex (P3HT(center dot+)-PCBM center dot-) that acts as an exciton quencher. Generation of these radical species diminishes photocurrent and reduces open-circuit voltage by the creation of electronic defect states. Conclusions extracted from absorption, C-V, and IS measurements will be further supported by a range of other techniques such as atomic force microscopy, X-ray diffraction, and dark-field imaging of scanning transmission electron microscopy on ultrathin cross-sections.
  Address
  Corporate Author Thesis
  Publisher Place of Publication S.l. Editor
  Language Wos 000352708600013 Publication Date 2014-12-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1614-6832; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 16.721 Times cited 30 Open Access OpenAccess
  Notes 287594 Sunflower; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 16.721; 2015 IF: 16.146
  Call Number c:irua:126000 Serial 2994
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Author Ben Dkhil, S.; Pfannmöller, M.; Saba, M.I.; Gaceur, M.; Heidari, H.; Videlot-Ackermann, C.; Margeat, O.; Guerrero, A.; Bisquert, J.; Garcia-Belmonte, G.; Mattoni, A.; Bals, S.; Ackermann, J.
  Title Toward high-temperature stability of PTB7-based bulk heterojunction solar cells : impact of fullerene size and solvent additive Type A1 Journal article
  Year 2017 Publication Laser physics review Abbreviated Journal Adv Energy Mater
  Volume 7 Issue 7 Pages 1601486
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The use of fullerene as acceptor limits the thermal stability of organic solar cells at high temperatures as their diffusion inside the donor leads to phase separation via Ostwald ripening. Here it is reported that fullerene diffusion is fully suppressed at temperatures up to 140 degrees C in bulk heterojunctions based on the benzodithiophene-based polymer (the poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b: 4,5-b']dithiophene-2,6-diyl][3-fluoro-2-[(2-ethylhexyl) carbonyl]thieno[3,4-b]thiophenediyl]], (PTB7) in combination with the fullerene derivative [6,6]-phenyl-C71-butyric acid methyl ester (PC70BM). The blend stability is found independently of the presence of diiodooctane (DIO) used to optimize nanostructuration and in contrast to PTB7 blends using the smaller fullerene derivative PC70BM. The unprecedented thermal stability of PTB7: PC70BM layers is addressed to local minima in the mixing enthalpy of the blend forming stable phases that inhibit fullerene diffusion. Importantly, although the nanoscale morphology of DIO processed blends is thermally stable, corresponding devices show strong performance losses under thermal stress. Only by the use of a high temperature annealing step removing residual DIO from the device, remarkably stable high efficiency solar cells with performance losses less than 10% after a continuous annealing at 140 degrees C over 3 days are obtained. These results pave the way toward high temperature stable polymer solar cells using fullerene acceptors.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Place of publication unknown Editor
  Language Wos 000396328500009 Publication Date 2016-11-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1614-6832; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 16.721 Times cited 27 Open Access Not_Open_Access
  Notes ; The authors acknowledge financial support by the French Fond Unique Interministeriel (FUI) under the project “SFUMATO” (grant number: F1110019V/ 201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7, grant number: 287594). Generalitat Valenciana (ISIC/2012/008 Institute of Nanotechnologies for Clean Energies) is also acknowledged for providing financial support. The authors further acknowledge financial support via ERC Starting Grant Colouratoms (335078). ; Approved Most recent IF: 16.721
  Call Number UA @ lucian @ c:irua:141991UA @ admin @ c:irua:141991 Serial 4697
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Author Lutz, L.; Corte, D.A.D.; Chen, Y.; Batuk, D.; Johnson, L.R.; Abakumov, A.; Yate, L.; Azaceta, E.; Bruce, P.G.; Tarascon, J.-M.; Grimaud, A.
  Title The role of the electrode surface in Na-Air batteries : insights in electrochemical product formation and chemical growth of NaO2 Type A1 Journal article
  Year 2018 Publication Advanced energy materials Abbreviated Journal Adv Energy Mater
  Volume 8 Issue 4 Pages 1701581
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The Na-air battery, because of its high energy density and low charging overpotential, is a promising candidate for low-cost energy storage, hence leading to intensive research. However, to achieve such a battery, the role of the positive electrode material in the discharge process must be understood. This issue is herein addressed by exploring the electrochemical reduction of oxygen, as well as the chemical formation and precipitation of NaO2 using different electrodes. Whereas a minor influence of the electrode surface is demonstrated on the electrochemical formation of NaO2, a strong dependence of the subsequent chemical precipitation of NaO2 is identified. In the origin, this effect stems from the surface energy and O-2/O-2(-) affinity of the electrode. The strong interaction of Au with O-2/O-2(-) increases the nucleation rate and leads to an altered growth process when compared to C surfaces. Consequently, thin (3 mu m) flakes of NaO2 are found on Au, whereas on C large cubes (10 mu m) of NaO2 are formed. This has significant impact on the cell performance and leads to four times higher capacity when C electrodes with low surface energy and O-2/O-2(-) affinity are used. It is hoped that these findings will enable the design of new positive electrode materials with optimized surfaces.
  Address
  Corporate Author Thesis
  Publisher WILEY-VCH Verlag GmbH & Co. Place of Publication Weinheim Editor
  Language Wos 000424152200009 Publication Date 2017-09-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1614-6832; 1614-6840 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 16.721 Times cited 13 Open Access Not_Open_Access
  Notes ; L.L. thanks ALISTORE-ERI for his PhD grant. P.G.B. is indebted to the EPSRC for financial support, including the Supergen Energy Storage grant. ; Approved Most recent IF: 16.721
  Call Number UA @ lucian @ c:irua:149269 Serial 4951
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Author Dimitrievska, M.; Shea, P.; Kweon, K.E.; Bercx, M.; Varley, J.B.; Tang, W.S.; Skripov, A.V.; Stavila, V.; Udovic, T.J.; Wood, B.C.
  Title Carbon Incorporation and Anion Dynamics as Synergistic Drivers for Ultrafast Diffusion in Superionic LiCB11H12 and NaCB11H12 Type A1 Journal article
  Year 2018 Publication Advanced energy materials Abbreviated Journal Adv Energy Mater
  Volume 8 Issue 15 Pages 1703422
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The disordered phases of LiCB11H12 and NaCB11H12 possess superb superionic conductivities that make them suitable as solid electrolytes. In these materials, cation diffusion correlates with high orientational mobilities of the CB11H12- anions; however, the precise relationship has yet to be demonstrated. In this work, ab initio molecular dynamics and quasielastic neutron scattering are combined to probe anion reorientations and their mechanistic connection to cation mobility over a range of timescales and temperatures. It is found that anions do not rotate freely, but rather transition rapidly between orientations defined by the cation sublattice symmetry. The symmetry-breaking carbon atom in CB11H12- also plays a critical role by perturbing the energy landscape along the instantaneous orientation of the anion dipole, which couples fluctuations in the cation probability density directly to the anion motion. Anion reorientation rates exceed 3 x 10(10) s(-1), suggesting the underlying energy landscape fluctuates dynamically on diffusion-relevant timescales. Furthermore, carbon is found to modify the orientational preferences of the anions and aid rotational mobility, creating additional symmetry incompatibilities that inhibit ordering. The results suggest that synergy between the anion reorientational dynamics and the carbon-modified cation-anion interaction accounts for the higher ionic conductivity in CB11H12- salts compared with B12H122-.
  Address
  Corporate Author Thesis
  Publisher WILEY-VCH Verlag GmbH & Co. Place of Publication Weinheim Editor
  Language Wos 000434031400026 Publication Date 2018-02-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1614-6832; 1614-6840 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 16.721 Times cited 20 Open Access OpenAccess
  Notes ; This work was performed in part under the auspices of the U.S. Department of Energy at Lawrence Livermore National Laboratory (LLNL) under Contract No. DE-AC52-07NA27344 and funded by Laboratory Directed Research and Development Grant 15-ERD-022. Computing support came from the LLNL Institutional Computing Grand Challenge program. This work was also performed in part within the assignment of the Russian Federal Agency of Scientific Organizations (program “Spin” No. 01201463330). The authors gratefully acknowledge support from the Russian Foundation for Basic Research under Grant No. 15-03-01114 and the Ural Branch of the Russian Academy of Sciences under Grant No. 15-9-2-9. A.V.S. gratefully acknowledges travel support from CRDF Global in conjunction with this work under Grant No. FSCX-15-61826-0. M.D. gratefully acknowledges research support from the Hydrogen Materials-Advanced Research Consortium (HyMARC), established as part of the Energy Materials Network under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, under Contract No. DE-AC36-08GO28308. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. This work utilized facilities supported in part by the National Science Foundation under Agreement No. DMR-1508249. The views, opinions, findings, and conclusions stated herein are those of the authors and do not necessarily reflect those of CRDF Global, or the United States Government or any agency thereof. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. ; Approved Most recent IF: 16.721
  Call Number UA @ lucian @ c:irua:152045 Serial 5015
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Author Arisnabarreta, N.; Hao, Y.; Jin, E.; Salame, A.; Muellen, K.; Robert, M.; Lazzaroni, R.; Van Aert, S.; Mali, K.S.; De Feyter, S.
  Title Single-layered imine-linked porphyrin-based two-dimensional covalent organic frameworks targeting CO₂ reduction Type A1 Journal article
  Year 2024 Publication Advanced energy materials Abbreviated Journal
  Volume Issue Pages
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The reduction of carbon dioxide (CO2) using porphyrin-containing 2D covalent organic frameworks (2D-COFs) catalysts is widely explored nowadays. While these framework materials are normally fabricated as powders followed by their uncontrolled surface heterogenization or directly grown as thin films (thickness >200 nm), very little is known about the performance of substrate-supported single-layered (approximate to 0.5 nm thickness) 2D-COFs films (s2D-COFs) due to its highly challenging synthesis and characterization protocols. In this work, a fast and straightforward fabrication method of porphyrin-containing s2D-COFs is demonstrated, which allows their extensive high-resolution visualization via scanning tunneling microscopy (STM) in liquid conditions with the support of STM simulations. The as-prepared single-layered film is then employed as a cathode for the electrochemical reduction of CO2. Fe porphyrin-containing s2D-COF@graphite used as a single-layered heterogeneous catalyst provided moderate-to-high carbon monoxide selectivity (82%) and partial CO current density (5.1 mA cm(-2)). This work establishes the value of using single-layered films as heterogene ous catalysts and demonstrates the possibility of achieving high performance in CO2 reduction even with extremely low catalyst loadings.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001177577200001 Publication Date 2024-02-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (up) 1614-6832; 1614-6840 ISBN Additional Links UA library record; WoS full record
  Impact Factor 27.8 Times cited Open Access
  Notes N.A. acknowledges a postdoctoral fellowship from the Research Foundation- Flanders (FWO) via grant 12ZS623N. S.D.F. acknowledges support from FWO (G0A4120N, G0H2122N, G0A5U24N), KU Leuven Internal Funds (grants C14/18/06, C14/19/079, C14/23/090), European Union under the Horizon Europe grant 101046231 (FantastiCOF), and M-ERA.NET via FWO (G0K9822N). S.D.F., K.M., Y.H., R.L., and S.V.A. were thankful to the FWO and FNRS for the financial support through the EOS program (grant 30489208, 40007495). Research in Mons was also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif- CÉCI, and by the Walloon Region (ZENOBE and LUCIA Tier-1 supercomputers). E.J. appreciated the support from the Alexander von Humboldt Foundation, the Max Planck Society, the FLAG-ERA Grant OPERA by DFG 437130745, the National Natural Science Foundation of China (22288101), and the 111 Project (B17020). Partial financial support to M.R. from the Institut Universitaire de France (IUF) was warmly thanked. Approved Most recent IF: 27.8; 2024 IF: 16.721
  Call Number UA @ admin @ c:irua:204856 Serial 9172
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