Home << 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 >> [101–200]
List View
 | 
Citations
 | 
Details
   web
Records
Author Tonkikh, A.A.; Tsebro, V.I.; Obraztsova, E.A.; Rybkovskiy, D.V.; Orekhov, A.S.; Kondrashov, I.I.; Kauppinen, E.I.; Chuvilin, A.L.; Obraztsova, E.D.
Title Films of filled single-wall carbon nanotubes as a new material for high-performance air-sustainable transparent conductive electrodes operating in a wide spectral range Type A1 Journal article
Year 2019 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 11 Issue 14 Pages 6755-6765
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In this paper we show the advantages of transparent high conductive films based on filled single-wall carbon nanotubes. The nanotubes with internal channels filled with acceptor molecules (copper chloride or iodine) form networks demonstrating significantly improved characteristics. Due to the charge transfer between the nanotubes and filler, the doped-nanotube films exhibit a drop in electrical sheet resistance of an order of magnitude together with a noticeable increase of film transparency in the visible and near-infrared spectral range. The thermoelectric power measurements show a significant improvement of air-stability of the nanotube network in the course of the filling procedure. For the nanotube films with an initial transparency of 87% at 514 nm and electrical sheet resistance of 862 Ohm sq(-1) we observed an improvement of transparency up to 91% and a decrease of sheet resistance down to 98 Ohm sq(-1). The combination of the nanotube synthesis technique and molecules for encapsulation has been optimized for applications in optoelectronics.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464454400024 Publication Date 2019-03-05
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 2 Open Access Not_Open_Access: Available from 06.09.2019
Notes ; The work was supported by the RFBR project 18-29-19113-mk, grant no. 311533 of Academy of Finland, Russian Federation President Program for young scientist MK-3140.2018.2. Also, the reported study was funded by RFBR and Moscow city Government according to the research project no. 19-32-70004. TEM measurements were performed with financial support from the Ministry of Science and Higher Education of the Russian Federation within the state assignment for the Federal Scientific Research Centre “Crystallography and Photonics” of the Russian Academy of Sciences. ; Approved Most recent IF: 7.367
Call Number UA @ admin @ c:irua:159339 Serial 5249
Permanent link to this record
 
 
Author Vanrompay, H.; Bladt, E.; Albrecht, W.; Béché, A.; Zakhozheva, M.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Bals, S.
Title 3D characterization of heat-induced morphological changes of Au nanostars by fast in situ electron tomography Type A1 Journal article
Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 10 Issue 10 Pages 22792-22801
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract A thorough understanding of the thermal stability and potential reshaping of anisotropic gold nanostars is required for various potential applications. Combination of a tomographic heating holder with fast tilt series acquisition has been used to monitor temperature-induced morphological changes of Au nanostars. The outcome of our 3D investigations can be used as an input for boundary element method simulations, enabling us to investigate the influence of reshaping on the nanostars’ plasmonic properties. Our work leads to a better understanding of the mechanism behind thermal reshaping. In addition, the approach presented here is generic and can hence be applied to a wide variety of nanoparticles made of different materials and with arbitrary morphology.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000453248100010 Publication Date 2018-11-28
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 55 Open Access OpenAccess
Notes H.V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). E.B. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020. The authors acknowledge funding from European Commission Grant (EUSMI 731019 to S.B., L.M.L.-M. and M.Z. and MUMMERING 765604 to S.B. and M.Z.). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078- COLOURATOMS).; Ecas_sara Approved Most recent IF: 7.367
Call Number EMAT @ emat @c:irua:155718UA @ admin @ c:irua:155718 Serial 5071
Permanent link to this record
 
 
Author Barreca, D.; Gri, F.; Gasparotto, A.; Carraro, G.; Bigiani, L.; Altantzis, T.; Žener, B.; Lavrenčič Štangar, U.; Alessi, B.; Padmanaban, D.B.; Mariotti, D.; Maccato, C.
Title Multi-functional MnO2nanomaterials for photo-activated applications by a plasma-assisted fabrication route Type A1 Journal article
Year 2019 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 11 Issue 1 Pages 98-108
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Supported MnO2-based nanomaterials were fabricated on fluorine-doped tin oxide substrates by plasma enhanced-chemical vapor deposition (PE-CVD) between 100 °C and 400 °C, starting from a fluorinated Mn(II) diamine diketonate precursor. Growth experiments yielded -MnO2 nanosystems with hierarchical morphology tuneable from dendritic structures to quasi-1D nanosystems as a function of growth temperature, whose variation enabled also a concomitant tailoring of the system fluorine content, and of the optical absorption and band gap. Preliminary photocatalytic tests were aimed at the investigation of photoinduced hydrophilic (PH) and solid phase photocatalytic (PC) performances of the present nanomaterials, as well as at the photodegradation of Plasmocorinth B azo-dye aqueous solutions. The obtained findings highlighted an attractive system photoactivity even under visible light, finely tailored by fluorine content, morphological organization and optical properties of the prepared nanostructures. The results indicate that the synthesized MnO2 nanosystems have potential applications as advanced smart materials for anti-fogging/self-cleaning end uses and water purification.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000454327500037 Publication Date 2018-10-10
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 7 Open Access OpenAccess
Notes Padova University DOR 2016–2017, P-DiSC #03BIRD2016-UNIPD projects, HERALD Cost Action MP1402 – 37831 and ACTION post-doc fellowship are acknowledged for financial support. T.A. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO). Thanks are also due to Prof. Sara Bals (EMAT, University of Antwerp, Belgium), Prof. Romana Cerc Korošec and to Dr. Lev Matoh (University of Ljubljana, Slovenia), and to Prof. Elza Bontempi (Brescia University, Italy). The work was also supported by EPSRC (award EP/R008841/1, EP/M024938/1). Approved Most recent IF: 7.367
Call Number EMAT @ emat @UA @ admin @ c:irua:156388 Serial 5148
Permanent link to this record
 
 
Author Kong, X.; Li, L.; Leenaerts, O.; Wang, W.; Liu, X.-J.; Peeters, F.M.
Title Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number Type A1 Journal article
Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 10 Issue 17 Pages 8153-8161
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000432261400033 Publication Date 2018-03-28
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 28 Open Access
Notes ; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (No. 11574008), the Thousand-Young-Talent Program of China, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. W. Wang acknowledges financial support from the National Natural Science Foundation of China (Grant No. 11404214) and the China Scholarship Council (CSC). ; Approved Most recent IF: 7.367
Call Number UA @ lucian @ c:irua:151519UA @ admin @ c:irua:151519 Serial 5040
Permanent link to this record
 
 
Author Kosov, A.D.; Dubrinina, T.V.; Borisova, N.E.; Ivanov, A.V.; Drozdov, K.A.; Trashin, S.A.; De Wael, K.; Kotova, M.S.; Tomilova, L.G.
Title Novel phenyl-substituted pyrazinoporphyrazine complexes of rare-earth elements : optimized synthetic protocols and physicochemical properties Type A1 Journal article
Year 2019 Publication New journal of chemistry Abbreviated Journal New J Chem
Volume 43 Issue 7 Pages 3153-3161
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Novel synthetic protocols based on both template and multi-step methods were developed for phenyl-substituted pyrazinoporphyrazine complexes of rare-earth elements (Y, Eu, Gd, Dy, Er and Lu). p-Hydroquinone was employed as a reaction medium and as a reducing agent in the process of porphyrazine macrocycle formation. Both thermal and microwave irradiation techniques were successfully applied for activation of the template macrocyclization process. An alternative multi-step approach involving the initial stage of free-base ligand formation was realized for the lutetium compound. The target complexes were identified by high-resolution mass spectrometry, infrared spectroscopy and nuclear magnetic resonance (NMR) spectroscopy. Electrochemical behavior in solution and UV-vis absorbance in solutions and films were studied as well. Shifts in the position of the Q band and oxidationreduction potentials in comparison with corresponding phthalocyanine analogues were noticed. Using the IR absorption spectra recorded in the temperature range of 170300 K, the position of the Fermi level of −4.7 ± 0.1 eV and a characteristic energy diagram were obtained for the erbium complex.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000459944500035 Publication Date 2019-01-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1144-0546 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.269 Times cited 1 Open Access
Notes ; We are grateful for main financial support from the Russian Foundation for Basic Research (Grant No. 16-33-60005 and 18-33-00519). Investigation of optical properties was supported by the Russian Science Foundation (Grant 17-13-01197). Electrochemical investigations were supported by ERA.Net RUS Plus Plasmon Electrolight and FWO funding (RFBR No. 18-53-76006 ERA). We also thank the Council under the President of the Russian Federation for State Support of Young Scientists and Leading Scientific Schools (Grants MK-3115.2018.3) and partial support from the framework of the State Assignment of 2019 (Theme 45.5 Creation of compounds with given physicochemical properties). Investigation of electrophysical properties was supported by the RFBR (Grant 16-07-00961). K. A. Drozdov and M. S. Kotova thank Prof. L. I. Ryabova for productive discussion of the electrophysical data. ; Approved Most recent IF: 3.269
Call Number UA @ admin @ c:irua:156555 Serial 5750
Permanent link to this record
 
 
Author Khalilov, U.; Vets, C.; Neyts, E.C.
Title Molecular evidence for feedstock-dependent nucleation mechanisms of CNTs Type A1 Journal article
Year 2019 Publication Nanoscale Horizons Abbreviated Journal Nanoscale Horiz.
Volume 4 Issue 3 Pages 674-682
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atomic scale simulations have been shown to be a powerful tool for elucidating the growth mechanisms of carbon nanotubes. The growth picture is however not entirely clear yet due to the gap between current simulations and real experiments. We here simulate for the first time the nucleation and subsequent growth of single-wall carbon nanotubes (SWNTs) from oxygen-containing hydrocarbon feedstocks using the hybrid Molecular Dynamics/Monte Carlo technique. The underlying nucleation mechanisms of Ni-catalysed SWNT growth are discussed in detail. Specifically, we find that as a function of the feedstock, different carbon fractions may emerge as the main growth species, due to a competition between the feedstock decomposition, its rehydroxylation and its contribution to etching of the growing SWNT. This study provides a further understanding of the feedstock effects in SWNT growth in comparison with available experimental evidence as well as with<italic>ab initio</italic>and other simulation data, thereby reducing the simulation–experiment gap.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000471816500011 Publication Date 2019-01-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2055-6756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access Not_Open_Access: Available from 03.01.2020
Notes Fonds Wetenschappelijk Onderzoek, 12M1318N 1S22516N ; The authors gratefully acknowledge financial support from the Research Foundation Flanders (FWO), Belgium (Grant numbers 12M1318N and 1S22516N). The work was carried out in part using the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by FWO and the Flemish Government (Department EWI). We thank Prof. A. C. T. van Duin for sharing the reax-code and forcefield parameters. Approved Most recent IF: NA
Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:159658 Serial 5169
Permanent link to this record
 
 
Author Hasanli, N.; Gauquelin, N.; Verbeeck, J.; Hadermann, J.; Hayward, M.A.
Title Small-moment paramagnetism and extensive twinning in the topochemically reduced phase Sr2ReLiO5.5 Type A1 Journal article
Year 2018 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T
Volume 47 Issue 44 Pages 15783-15790
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Reaction of the cation-ordered double perovskite Sr2ReLiO6 with dilute hydrogen at 475 degrees C leads to the topochemical deintercalation of oxide ions from the host lattice and the formation of a phase of composition Sr2ReLiO5.5, as confirmed by thermogravimetric and EELS data. A combination of neutron and electron diffraction data reveals the reduction process converts the -Sr2O2-ReLiO4-Sr2O2-ReLiO4- stacking sequence of the parent phase into a -Sr2O2-ReLiO3-Sr2O2-ReLiO4-, partially anion-vacant ordered sequence. Furthermore a combination of electron diffraction and imaging reveals Sr2ReLiO5.5 exhibits extensive twinning – a feature which can be attributed to the large, anisotropic volume expansion of the material on reduction. Magnetisation data reveal a strongly reduced moment of (eff) = 0.505(B) for the d(1) Re6+ centres in the phase, suggesting there remains a large orbital component to the magnetism of the rhenium centres, despite their location in low symmetry coordination environments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000450208000019 Publication Date 2018-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1477-9226 ISBN Additional Links UA library record; WoS full record
Impact Factor 4.029 Times cited Open Access Not_Open_Access
Notes Experiments at the Diamond Light Source were performed as part of the Block Allocation Group award “Oxford Solid State Chemistry BAG to probe composition-structure-property relationships in solids” (EE13284). Experiments at the ISIS pulsed neutron facility were supported by a beam time allocation from the STFC. NH acknowledges funding from the “State Programme on Education of Azerbaijani Youth Abroad in 2007-2015” by the Ministry of Education of Azerbaijan. J. V. and N. G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. Approved Most recent IF: 4.029
Call Number EMAT @ emat @c:irua:155771 Serial 5137
Permanent link to this record
 
 
Author Tarakanov, P.A.; Tarakanova, E.N.; Dorovatovskii, P.V.; Zubavichus, Y.V.; Khrustalev, V.N.; Trashin, S.A.; De Wael, K.; Neganova, M.E.; Mischenko, D.V.; Sessler, J.L.; Stuzhin, P.A.; Pushkarev, V.E.; Tomilova, L.G.
Title Optical readout of controlled monomer-dimer self-assembly Type A1 Journal article
Year 2018 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal
Volume 47 Issue 40 Pages 14169-14173
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract 5,7-Substituted 1,4-diazepinoporphyrazine magnesium(II) complexes were synthesized via Mg(II)-alkoxide templated macrocyclization. A single crystal growth synchrotron diffraction analysis permitted what is to our knowledge the first structural characterization of a 1,4-diazepinoporphyrazine. It exists as a dimer in the solid state. In silico calculations supported by solution phase spectral studies involving a series of representative derivatives, provided insights into the factors governing dimerization of 1,4-diazepinoporphyrazines. The present 1,4-diazepinoporphyrazines serve as useful probes for understanding the determinants that guide dimermonomer equilibria and the self-assembly of phthalocyanine derivatives.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000447708900005 Publication Date 2018-04-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0300-9246; 1477-9226; 1472-7773 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 4 Open Access
Notes ; We thank Dr Alexander V. Chernyak for recording the NMR spectra. Synthetic and optical spectroscopic studies in this work were supported by the RSF (Grant 17-73-10413). NMR studies were supported by the Council under the President of the Russian Federation for State Support of Young Scientists and Leading Scientific Schools (Grant MD-2991.2017.3). SR-XRD studies were supported by the RUDN University Program “5-100”. We also acknowledge support of electrochemical, in vitro and in vivo studies by the State Assignment (Theme 45.5 Creation of compounds with given physicochemical properties) and the facilities provided by the Center of Collective Use of IPAC RAS (Chernogolovka, Russia). Single-crystal X-ray measurements have been performed at the unique scientific facility Kurchatov Synchrotron Radiation Source supported by the Ministry of Education and Science of the Russian Federation (project code RFMEFI61917X0007). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:151294 Serial 5755
Permanent link to this record
 
 
Author Gorbanev, Y.; Van der Paal, J.; Van Boxem, W.; Dewilde, S.; Bogaerts, A.
Title Reaction of chloride anion with atomic oxygen in aqueous solutions: can cold plasma help in chemistry research? Type A1 Journal article
Year 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 21 Issue 8 Pages 4117-4121
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Cold atmospheric plasma in contact with solutions has many applications, but its chemistry contains many unknowns such as the undescribed reactions with solutes. By combining experiments and modelling, we report the first direct demonstration of the reaction of chloride with oxygen atoms in aqueous solutions exposed to cold plasma.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000461722500001 Publication Date 2019-01-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 4 Open Access Not_Open_Access: Available from 31.01.2020
Notes H2020 Marie Skłodowska-Curie Actions, 743151 ; Fonds Wetenschappelijk Onderzoek, 11U5416N ; Approved Most recent IF: 4.123
Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:157688 Serial 5167
Permanent link to this record
 
 
Author Mefford, J.T.; Kurilovich, A.A.; Saunders, J.; Hardin, W.G.; Abakumov, A.M.; Forslund, R.P.; Bonnefont, A.; Dai, S.; Johnston, K.P.; Stevenson, K.J.
Title Decoupling the roles of carbon and metal oxides on the electrocatalytic reduction of oxygen on La1-xSrxCoO3-\delta perovskite composite electrodes Type A1 Journal article
Year 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 21 Issue 6 Pages 3327-3338
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Perovskite oxides are active room-temperature bifunctional oxygen electrocatalysts in alkaline media, capable of performing the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) with lower combined overpotentials relative to their precious metal counterparts. However, their semiconducting nature necessitates the use of activated carbons as conductive supports to generate applicably relevant current densities. In efforts to advance the performance and theory of oxide electrocatalysts, the chemical and physical properties of the oxide material often take precedence over contributions from the conductive additive. In this work, we find that carbon plays an important synergistic role in improving the performance of La1-xSrxCoO3- (0 x 1) electrocatalysts through the activation of O-2 and spillover of radical oxygen intermediates, HO2- and O-2(-), which is further reduced through chemical decomposition of HO2- on the perovskite surface. Through a combination of thin-film rotating disk electrochemical characterization of the hydrogen peroxide intermediate reactions (hydrogen peroxide reduction reaction (HPRR), hydrogen peroxide oxidation reaction (HPOR)) and oxygen reduction reaction (ORR), surface chemical analysis, HR-TEM, and microkinetic modeling on La1-xSrxCoO3- (0 x 1)/carbon (with nitrogen and non-nitrogen doped carbons) composite electrocatalysts, we deconvolute the mechanistic aspects and contributions to reactivity of the oxide and carbon support.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000459584900049 Publication Date 2019-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 5 Open Access OpenAccess
Notes ; Financial support for this work was provided by the R. A. Welch Foundation (grants F-1529 and F-1319). S. D. was supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. ; Approved Most recent IF: 4.123
Call Number UA @ admin @ c:irua:158625 Serial 5244
Permanent link to this record
 
 
Author Serrano-Sevillano, J.; Reynaud, M.; Saracibar, A.; Altantzis, T.; Bals, S.; van Tendeloo, G.; Casas-Cabanas, M.
Title Enhanced electrochemical performance of Li-rich cathode materials through microstructural control Type A1 Journal article
Year 2018 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 20 Issue 20 Pages 23112-23122
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The microstructural complexity of Li-rich cathode materials has so far hampered understanding the critical link between size, morphology and structural defects with both capacity and voltage fadings that this family of materials exhibits. Li2MnO3 is used here as a model material to extract reliable structure–property

relationships that can be further exploited for the development of high-performing and long-lasting Li-rich oxides. A series of samples with microstructural variability have been prepared and thoroughly characterized using the FAULTS software, which allows quantification of planar defects and extraction of

average crystallite sizes. Together with transmission electron microscopy (TEM) and density functional theory (DFT) results, the successful application of FAULTS analysis to Li2MnO3 has allowed rationalizing the synthesis conditions and identifying the individual impact of concurrent microstructural features on

both voltage and capacity fadings, a necessary step for the development of high-capacity Li-ion cathode materials with enhanced cycle life.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000445220500071 Publication Date 2018-08-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 36 Open Access OpenAccess
Notes This work was supported by the Spanish Ministerio de la Economı´a y de la Competitividad through the project IONSTORE (MINECO ref. ENE2016-81020-R). The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative-I3). JSS and AS are grateful for computing time provided by the Spanish i2Basque Centers. MR acknowledges the Spanish State for its financial support through her post-doctoral grant Juan de la Cierva – Formacio´n (MINECO ref. FJCI-2014-19990) and her international mobility grant Jose´ Castillejos (MECD ref. CAS15/00354). S. B. acknowledges funding from the European Research Council (ERC starting grant #335078 Colouratom) and T. A. a postdoctoral grant from the Research Foundation Flanders (FWO). (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); ecas_sara Approved Most recent IF: 4.123
Call Number EMAT @ emat @c:irua:154782UA @ admin @ c:irua:154782 Serial 5062
Permanent link to this record
 
 
Author Iyikanat, F.; Yagmurcukardes, M.; Senger, R.T.; Sahin, H.
Title Tuning electronic and magnetic properties of monolayer \alpha-RuCl3 by in-plane strain Type A1 Journal article
Year 2018 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
Volume 6 Issue 8 Pages 2019-2025
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer -RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antiferromagnetic (ZZ-AFM) spin orders in the material have very close total energies with the latter being the ground state. We found that each Ru atom possesses a magnetic moment of 0.9 (B) and the material exhibits strong magnetic anisotropy. While both phases exhibit indirect gaps, the FM phase is a magnetic semiconductor and the ZZ-AFM phase is a non-magnetic semiconductor. The structural stability of the material was confirmed by phonon calculations. Moreover, dynamical analysis revealed that the magnetic order in the material can be monitored via Raman measurements of the crystal structure. In addition, the magnetic ground state of the material changes from ZZ-AFM to FM upon certain applied strains. Valence and conduction band-edges of the material vary considerably under in-plane strains. Owing to the stable lattice structure and unique and controllable magnetic properties, monolayer -RuCl3 is a promising material in nanoscale device applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000426483800015 Publication Date 2018-01-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.256 Times cited 16 Open Access
Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. acknowledges financial support from TUBITAK under project number 116C073. H. S. also acknowledges support from Bilim Akademisi-The Science Academy, Turkey, under the BAGEP program. ; Approved Most recent IF: 5.256
Call Number UA @ lucian @ c:irua:149900UA @ admin @ c:irua:149900 Serial 4952
Permanent link to this record
 
 
Author Pulinthanathu Sree, S.; Dendooven, J.; Geerts, L.; Ramachandran, R.K.; Javon, E.; Ceyssens, F.; Breynaert, E.; Kirschhock, C.E.A.; Puers, R.; Altantzis, T.; Van Tendeloo, G.; Bals, S.; Detavernier, C.; Martens, J.A.
Title 3D porous nanostructured platinum prepared using atomic layer deposition Type A1 Journal article
Year 2017 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
Volume 5 Issue 5 Pages 19007-19016
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract A robust and easy to handle 3D porous platinum structure was created via replicating the 3D channel system

of an ordered mesoporous silica material using atomic layer deposition (ALD) over micrometer distances.

After ALD of Pt in the silica material, the host template was digested using hydrogen fluoride (HF). A fully

connected ordered Pt nanostructure was obtained with morphology and sizes corresponding to that of

the pores of the host matrix, as revealed with high-resolution scanning transmission electron

microscopy and electron tomography. The Pt nanostructure consisted of hexagonal Pt rods originating

from the straight mesopores (11 nm) of the host structure and linking features resulting from Pt

replication of the interconnecting mesopore segments (2–4 nm) present in the silica host structure.

Electron tomography of partial replicas, made by incomplete infilling of Zeotile-4 material with Pt,

provided insight in the connectivity and formation mechanism of the Pt nanostructure by ALD. The Pt

replica was evaluated for its potential use as electrocatalyst for the hydrogen evolution reaction, one of

the half-reactions of water electrolysis, and as microelectrode for biomedical sensing. The Pt replica

showed high activity for the hydrogen evolution reaction and electrochemical characterization revealed

a large impedance improvement in comparison with reference Pt electrodes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000411232100010 Publication Date 2017-06-28
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 9 Open Access OpenAccess
Notes This work was supported by the Flemish government through long-term structural funding (Methusalem) to JAM and FWO for a research project (G0A5417N). JD, TA and FC acknowledge Flemish FWO for a post-doctoral fellowship. S. B. acknowledges funding from ERC Starting Grant COLOURATOMS (335078). (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 8.867
Call Number EMAT @ emat @ c:irua:144624 c:irua:144624 c:irua:144624UA @ admin @ c:irua:144624 Serial 4634
Permanent link to this record
 
 
Author Aussems, D.U.B.; Bal, K. M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C.
Title Atomistic simulations of graphite etching at realistic time scales Type A1 Journal article
Year 2017 Publication Chemical science Abbreviated Journal Chem Sci
Volume 8 Issue 10 Pages 7160-7168
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Hydrogen–graphite interactions are relevant to a wide variety of applications, ranging from astrophysics to fusion devices and nano-electronics. In order to shed light on these interactions, atomistic simulation using Molecular Dynamics (MD) has been shown to be an invaluable tool. It suffers, however, from severe timescale

limitations. In this work we apply the recently developed Collective Variable-Driven Hyperdynamics (CVHD) method to hydrogen etching of graphite for varying inter-impact times up to a realistic value of 1 ms, which corresponds to a flux of 1020 m2 s1. The results show that the erosion yield, hydrogen surface coverage and species distribution are significantly affected by the time between impacts. This can be explained by the higher probability of C–C bond breaking due to the prolonged exposure to thermal stress and the subsequent transition from ion- to thermal-induced etching. This latter regime of thermal-induced etching – chemical erosion – is here accessed for the first time using atomistic simulations. In conclusion, this study demonstrates that accounting for long time-scales significantly affects ion bombardment simulations and should not be neglected in a wide range of conditions, in contrast to what is typically assumed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000411730500055 Publication Date 2017-08-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-6520 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.668 Times cited 3 Open Access OpenAccess
Notes DIFFER is part of the Netherlands Organisation for Scientic Research (NWO). K. M. B. is funded as a PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientic Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. Approved Most recent IF: 8.668
Call Number PLASMANT @ plasmant @c:irua:145519 Serial 4707
Permanent link to this record
 
 
Author Kumar, N.; Shaw, P.; Razzokov, J.; Yusupov, M.; Attri, P.; Uhm, H.S.; Choi, E.H.; Bogaerts, A.
Title Enhancement of cellular glucose uptake by reactive species: a promising approach for diabetes therapy Type A1 Journal article
Year 2018 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 8 Issue 18 Pages 9887-9894
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract It is generally known that antidiabetic activity is associated with an increased level of glucose uptake in adipocytes and skeletal muscle cells. However, the role of exogenous reactive oxygen and nitrogen species (RONS) in muscle development and more importantly in glucose uptake is largely unknown. We investigate the effect of RONS generated by cold atmospheric plasma (CAP) in glucose uptake. We show that the glucose uptake is significantly enhanced in differentiated L6 skeletal muscle cells after CAP treatment. We also observe a significant increase of the intracellular Ca++ and ROS level, without causing toxicity. One of the possible reasons for an elevated level of glucose uptake as well as intracellular ROS and Ca++ ions is probably the increased oxidative stress leading to glucose transport.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000430451800036 Publication Date 2018-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.108 Times cited 1 Open Access OpenAccess
Notes We gratefully acknowledge nancial support from the Research Foundation – Flanders (FWO), grant numbers 12J5617N, 1200216N and from the European Marie Skłodowska-Curie Individual Fellowship “Anticancer-PAM” within Horizon2020 (grant number 743546). We are also thankful to the Plasma Bioscience Research Center at Kwangwoon University for providing the core facilities for the experimental work as well as nancial support by the Leading Foreign Research Institute Recruitment program (Grant # NRF-2016K1A4A3914113) through the Basic Science Research Program of the National Research Founda Approved Most recent IF: 3.108
Call Number PLASMANT @ plasmant @c:irua:149564 Serial 4909
Permanent link to this record
 
 
Author Ulu Okudur, F.; D'Haen, J.; Vranken, T.; De Sloovere, D.; Verheijen, M.; Karakulina, O.M.; Abakumov, A.M.; Hadermann, J.; Van Bael, M.K.; Hardy, A.
Title Ti surface doping of LiNi0.5Mn1.5O4−δpositive electrodes for lithium ion batteries Type A1 Journal article
Year 2018 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 8 Issue 13 Pages 7287-7300
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The particle surface of LiNi0.5Mn1.5O4−δ (LNMO), a Li-ion battery cathode material, has been modified by Ti cation doping through a hydrolysis–condensation reaction followed by annealing in oxygen. The effect of different annealing temperatures (500–850 °C) on the Ti distribution and electrochemical performance of the surface modified LNMO was investigated. Ti cations diffuse from the preformed amorphous ‘TiOx’ layer into the LNMO surface during annealing at 500 °C. This results in a 2–4 nm thick Ti-rich spinel surface having lower Mn and Ni content compared to the core of the LNMO particles, which was observed with scanning transmission electron microscopy coupled with compositional EDX mapping. An increase in the annealing temperature promotes the formation of a Ti bulk doped LiNi(0.5−w)Mn(1.5+w)−tTitO4 phase and Ti-rich LiNi0.5Mn1.5−yTiyO4 segregates above 750 °C. Fourier-transform infrared spectrometry indicates increasing Ni–Mn ordering with annealing temperature, for both bare and surface modified LNMO. Ti surface modified LNMO annealed at 500 °C shows a superior cyclic stability, coulombic efficiency and rate performance compared to bare LNMO annealed at 500 °C when cycled at 3.4–4.9 V vs. Li/Li+. The improvements are probably due to suppressed Ni and Mn dissolution with Ti surface doping.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000425508900064 Publication Date 2018-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.108 Times cited 9 Open Access OpenAccess
Notes This research is supported by the Research Foundation Flanders (FWO Vlaanderen, grant number G040116N). This project receives the support of the European Union, the European Regional Development Fund ERDF, Flanders Innovation & Entrepreneurship and the Province of Limburg (project 936). Greet Cuyvers and Gilles Bonneux (UHasselt) are acknowledged for the ICP-AES sample preparation and measurements. Vera Meynen and Karen Leyssens (Antwerp University, Belgium) are acknowledged for the BET measurements. Special thanks to Bart Ruttens (UHasselt) for XRD measurements and discussions on the refinements. Approved Most recent IF: 3.108
Call Number EMAT @ emat @c:irua:149513 Serial 4905
Permanent link to this record
 
 
Author Ata, I.; Ben Dkhil, S.; Pfannmoeller, M.; Bals, S.; Duche, D.; Simon, J.-J.; Koganezawa, T.; Yoshimoto, N.; Videlot-Ackermann, C.; Margeat, O.; Ackermann, J.; Baeuerle, P.
Title The influence of branched alkyl side chains in A-D-A oligothiophenes on the photovoltaic performance and morphology of solution-processed bulk-heterojunction solar cells Type A1 Journal article
Year 2017 Publication Organic chemistry frontiers : an international journal of organic chemistry Abbreviated Journal Org Chem Front
Volume 4 Issue 4 Pages 1561-1573
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Besides providing sufficient solubility, branched alkyl chains also affect the film-forming and packing properties of organic semiconductors. In order to avoid steric hindrance as it is present in wide-spread alkyl chains comprising a branching point position at the C2-position, i.e., 2-ethylhexyl, the branching point can be moved away from the pi-conjugated backbone. In this report, we study the influence of the modification of the branching point position from the C2-position in 2-hexyldecylamine (1) to the C4-position in 4-hexyldecylamine (2) connected to the central dithieno[3,2-b: 2', 3'-d] pyrrole (DTP) moiety in a well-studied A-D-A oligothiophene on the optoelectronic properties and photovoltaic performance in solution- processed bulk heterojunction solar cells (BHJSCs) with [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) as the acceptor material. Post-treatment of the photoactive layers is performed via solvent vapor annealing (SVA) in order to improve the film microstructure of the bulk heterojunction. The time evolution of nanoscale morphological changes is followed by combining scanning transmission electron microscopy with low-energy-loss spectroscopic imaging (STEM-SI), solid-state absorption spectroscopy, and two-dimensional grazing incidence X-ray diffraction (2D-GIXRD). Our results show an improvement of the photovoltaic performance that is dependent on the branching point position in the donor oligomer. Optical spacers are utilized to increase light absorption inside the co-oligomer 2-based BHJSCs leading to increased power conversion efficiencies (PCEs) of 8.2% when compared to the corresponding co-oligomer 1-based devices. A STEM-SI analysis of the respective device cross-sections of active layers containing 1 and 2 as donor materials indeed reveals significant differences in their respective active layer morphologies.
Address
Corporate Author Thesis
Publisher RSC Publishing Place of Publication London Editor
Language Wos 000406374800013 Publication Date 2017-05-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2052-4129 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.955 Times cited 24 Open Access OpenAccess
Notes ; We acknowledge financial support by the European Commission under the project “SUNFLOWER” (FP7-ICT-2011-7, grant number: 287594) and S.B. acknowledges the ERC Starting Grant Colouratoms (335078). ; Approved Most recent IF: 4.955
Call Number UA @ lucian @ c:irua:145176UA @ admin @ c:irua:145176 Serial 4727
Permanent link to this record
 
 
Author Claes, N.; Asapu, R.; Blommaerts, N.; Verbruggen, S.W.; Lenaerts, S.; Bals, S.
Title Characterization of silver-polymer core–shell nanoparticles using electron microscopy Type A1 Journal article
Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 10 Issue 10 Pages 9186-9191
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract Silver-polymer core–shell nanoparticles show interesting optical properties, making them widely applicable in the field of plasmonics. The uniformity, thickness and homogeneity of the polymer shell will affect the properties of the system which makes a thorough structural characterization of these core–shell silver-polymer nanoparticles of great importance. However, visualizing the shell and the particle simultaneously is far from straightforward due to the sensitivity of the polymer shell towards the electron beam. In this study, we use different 2D and 3D electron microscopy techniques to investigate different structural aspects of the polymer coating.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000437007700028 Publication Date 2018-04-16
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 N. C. and S. B. acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS) and from the FWO through project funding (G038116N). R. A. and S. L. acknowledge the Research Foundation Flanders (FWO) for financial support. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); ECAS_Sara Approved Most recent IF: 7.367
Call Number EMAT @ emat @c:irua:151290UA @ admin @ c:irua:151290 Serial 4959
Permanent link to this record
 
 
Author Rizzo, F.; Augieri, A.; Kursumovic, A.; Bianchetti, M.; Opherden, L.; Sieger, M.; Huehne, R.; Haenisch, J.; Meledin, A.; Van Tendeloo, G.; MacManus-Driscoll, J.L.; Celentano, G.
Title Pushing the limits of applicability of REBCO coated conductor films through fine chemical tuning and nanoengineering of inclusions Type A1 Journal article
Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 10 Issue 17 Pages 8187-8195
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract An outstanding current carrying performance (namely critical current density, J(c)) over a broad temperature range of 10-77 K for magnetic fields up to 12 T is reported for films of YBa2Cu3O7-x with Ba2Y(Nb,Ta)O-6 inclusion pinning centres (YBCO-BYNTO) and thicknesses in the range of 220-500 nm. J(c) values of 10 MA cm(-2) were measured at 30 K – 5 T and 10 K – 9 T with a corresponding maximum of the pinning force density at 10 K close to 1 TN m(-3). The system is very flexible regarding properties and microstructure tuning, and the growth window for achieving a particular microstructure is wide, which is very important for industrial processing. Hence, the dependence of J(c) on the magnetic field angle was readily controlled by fine tuning the pinning microstructure. Transmission electron microscopy (TEM) analysis highlighted that higher growth rates induce more splayed and denser BYNTO nanocolumns with a matching field as high as 5.2 T. Correspondingly, a strong peak at the B||c-axis is noticed when the density of vortices is lower than the nanocolumn density. YBCO-BYNTO is a very robust and reproducible composite system for high-current coated conductors over an extended range of magnetic fields and temperatures.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000432261400037 Publication Date 2018-03-26
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 9 Open Access OpenAccess
Notes ; This work was partially financially supported by EUROTAPES, a collaborative project funded by the European Commission's Seventh Framework Program (FP7/ 2007-2013) under Grant Agreement No. 280432. This work has been partially carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under grant agreement no. 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. ; Approved Most recent IF: 7.367
Call Number UA @ lucian @ c:irua:151520 Serial 5038
Permanent link to this record
 
 
Author Lombardo, J.; Jelić, Ž.L.; Baumans, X.D.A.; Scheerder, J.E.; Nacenta, J.P.; Moshchalkov, V.V.; Van de Vondel, J.; Kramer, R.B.G.; Milošević, M.V.; Silhanek, A.V.
Title In situ tailoring of superconducting junctions via electro-annealing Type A1 Journal article
Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 10 Issue 4 Pages 1987-1996
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We demonstrate the in situ engineering of superconducting nanocircuitry by targeted modulation of material properties through high applied current densities. We show that the sequential repetition of such customized electro-annealing in a niobium (Nb) nanoconstriction can broadly tune the superconducting critical temperature T-c and the normal-state resistance R-n in the targeted area. Once a sizable R-n is reached, clear magneto-resistance oscillations are detected along with a Fraunhofer-like field dependence of the critical current, indicating the formation of a weak link but with further adjustable characteristics. Advanced Ginzburg-Landau simulations fully corroborate this picture, employing the detailed parametrization from the electrical characterization and high resolution electron microscope images of the region within the constriction where the material has undergone amorphization by electro-annealing.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000423355300049 Publication Date 2017-12-29
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 23 Open Access
Notes ; The authors thank the Fonds de la Recherche Scientifique – FNRS, the ARC grant 13/18-08 for Concerted Research Actions, financed by the French Community of Belgium (Wallonia-Brussels Federation), the Research Foundation – Flanders (FWO-Vlaanderen) and the COST action NanoCoHybri (CA16218). The work is also suppported by Methusalem Funding by the Flemish Government. J. Lombardo acknowledges support from F. R. S.-FNRS (FRIA Research Fellowship). The LANEF framework (ANR-10-LABX-51-01) and the Nanoscience Foundation are acknowledged for their support with mutualized infrastructure. The work of A. V. Silhanek is partially supported by PDR T.0106.16 of the F. R. S.-FNRS. The authors thank the ULg Microscopy facility CAREM for part of the SEM investigations. ; Approved Most recent IF: 7.367
Call Number UA @ lucian @ c:irua:149315UA @ admin @ c:irua:149315 Serial 4937
Permanent link to this record
 
 
Author Pramanik, G.; Humpolickova, J.; Valenta, J.; Kundu, P.; Bals, S.; Bour, P.; Dracinsky, M.; Cigler, P.
Title Gold nanoclusters with bright near-infrared photoluminescence Type A1 Journal article
Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 10 Issue 10 Pages 3792-3798
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The increase in nonradiative pathways with decreasing emission energy reduces the luminescence quantum yield (QY) of near-infrared photoluminescent (NIR PL) metal nanoclusters. Efficient surface ligand chemistry can significantly improve the luminescence QY of NIR PL metal nanoclusters. In contrast to the widely reported but modestly effective thiolate ligand-to-metal core charge transfer, we show that metal-to-ligand charge transfer (MLCT) can be used to greatly enhance the luminescence QY of NIR PL gold nanoclusters (AuNCs). We synthesized water-soluble and colloidally stable NIR PL AuNCs with unprecedentedly high QY (similar to 25%) upon introduction of triphenylphosphonium moieties into the surface capping layer. By using a combination of spectroscopic and theoretical methods, we provide evidence for gold core-to-ligand charge transfer occurring in AuNCs. We envision that this work can stimulate the development of these unusually bright AuNCs for promising optoelectronic, bioimaging, and other applications.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000426148500026 Publication Date 2018-01-08
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 97 Open Access OpenAccess
Notes ; The authors acknowledge support from the GACR project Nr. 18-12533S. J. V. acknowledges funding from the Ministry of Education, Youth and Sports of the Czech Republic via the V4+Japan project No. 8F15001 (cofinanced by the International Visegrad Fund). P. B. acknowledges GACR project No. 16-05935S and Ministry of Education, Youth and Sports of the Czech Republic project No. LTC17012. ; Approved Most recent IF: 7.367
Call Number UA @ lucian @ c:irua:149901UA @ admin @ c:irua:149901 Serial 4935
Permanent link to this record
 
 
Author Zheng, G.; Chen, Z.; Sentosun, K.; Pérez-Juste, I.; Bals, S.; Liz-Marzán, L.M.; Pastoriza-Santos, I.; Pérez-Juste, J.; Hong, M.
Title Shape control in ZIF-8 nanocrystals and metal nanoparticles@ZIF-8 heterostructures Type A1 Journal article
Year 2017 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 9 Issue 9 Pages 16645-16651
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Shape control in metal-organic frameworks still remains a challenge. We propose a strategy based on the capping agent modulator method to control the shape of ZIF-8 nanocrystals. This approach requires the use of a surfactant, cetyltrimethylammonium bromide (CTAB), and a second capping agent, tris(hydroxymethyl)aminomethane (TRIS), to obtain ZIF-8 nanocrystals with morphology control in aqueous media. Semiempirical computational simulations suggest that both shape-inducing agents adsorb onto different surface facets of ZIF-8, thereby slowing down their crystal growth rates. While CTAB molecules preferentially adsorb onto the {100} facets, leading to ZIF-8 particles with cubic morphology, TRIS preferentially stabilizes the {111} facets, inducing the formation of octahedral crystals. Interestingly, the presence of both capping agents leads to nanocrystals with irregular shapes and higher index facets, such as hexapods and burr puzzles. Additionally, the combination of ZIF-8 nanocrystals with other materials is expected to impart additional properties due to the hybrid nature of the resulting nanocomposites. In the present case, the presence of CTAB and TRIS molecules as capping agents facilitates the synthesis of metal nanoparticle@ZIF-8 nanocomposites, due to synergistic effects which could be of use in a number of applications such as catalysis, gas sensing and storage.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000414960900015 Publication Date 2017-07-25
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 109 Open Access OpenAccess
Notes This work was supported by the Ministerio de Economía y Competitividad (MINECO, Spain), under the Grants MAT2013- 45168-R and MAT2016-77809-R. This study was also funded by the Xunta de Galicia/FEDER (ED431C 2016-048). We are grateful to the financial support from National Natural Science Foundation of China (21671010), Guangdong Science and Technology Program (2013A061401002), and Shenzhen Strategic Emerging Industries (KQCX2015032709315529, CXZZ20140419131807788). Approved Most recent IF: 7.367
Call Number EMAT @ emat @c:irua:145827UA @ admin @ c:irua:145827 Serial 4705
Permanent link to this record
 
 
Author Schnepf, M.J.; Mayer, M.; Kuttner, C.; Tebbe, M.; Wolf, D.; Dulle, M.; Altantzis, T.; Formanek, P.; Förster, S.; Bals, S.; König, T.A.F.; Fery, A.
Title Nanorattles with tailored electric field enhancement Type A1 Journal article
Year 2017 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 9 Issue 9 Pages 9376-9385
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Nanorattles are metallic core–shell particles with core and shell separated by a dielectric spacer. These

nanorattles have been identified as a promising class of nanoparticles, due to their extraordinary high

electric-field enhancement inside the cavity. Limiting factors are reproducibility and loss of axial symmetry

owing to the movable metal core; movement of the core results in fluctuation of the nanocavity dimensions

and commensurate variations in enhancement factor. We present a novel synthetic approach for

the robust fixation of the central gold rod within a well-defined box, which results in an axisymmetric

nanorattle. We determine the structure of the resulting axisymmetric nanorattles by advanced transmission

electron microscopy (TEM) and small-angle X-ray scattering (SAXS). Optical absorption and scattering

cross-sections obtained from UV-vis-NIR spectroscopy quantitatively agree with finite-difference

time-domain (FDTD) simulations based on the structural model derived from SAXS. The predictions of

high and homogenous field enhancement are evidenced by scanning TEM electron energy loss spectroscopy

(STEM-EELS) measurement on single-particle level. Thus, comprehensive understanding of

structural and optical properties is achieved for this class of nanoparticles, paving the way for photonic

applications where a defined and robust unit cell is crucial.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000405387100015 Publication Date 2017-06-22
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 69 Open Access OpenAccess
Notes This study was funded by the European Research Council under grant Template-assisted assembly of METAmaterials using MECHanical instabilities (METAMECH) ERC-2012-StG 306686. This work was also supported by the Deutsche Forschungsgemeinschaft (DFG) within the Cluster of Excellence ‘Center for Advancing Electronics Dresden’ (cfaed). M. T. wants to acknowledge funding by the Elite Network of Bavaria, the Bavarian Ministry of State according to the Bavarian elite promotion act (BayEFG), as well as the Alexander von Humboldt Foundation for a Feodor-Lynen Research Fellowship. S. B. acknowledges financial support from the European Research Council (Starting Grant No. COLOURATOM 335078) and T. A. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. We thank Ken Harris from the National Research Council Canada for valuable discussion of the manuscript. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 7.367
Call Number EMAT @ emat @ c:irua:144797UA @ admin @ c:irua:144797 Serial 4631
Permanent link to this record
 
 
Author De Backer, A.; Jones, L.; Lobato, I.; Altantzis, T.; Goris, B.; Nellist, P.D.; Bals, S.; Van Aert, S.
Title Three-dimensional atomic models from a single projection using Z-contrast imaging: verification by electron tomography and opportunities Type A1 Journal article
Year 2017 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 9 Issue 9 Pages 8791-8798
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In order to fully exploit structure–property relations of nanomaterials, three-dimensional (3D) characterization at the atomic scale is often required. In recent years, the resolution of electron tomography has reached the atomic scale. However, such tomography typically requires several projection images demanding substantial electron dose. A newly developed alternative circumvents this by counting the number of atoms across a single projection. These atom counts can be used to create an initial atomic model with which an energy minimization can be applied to obtain a relaxed 3D reconstruction of the nanoparticle. Here, we compare, at the atomic scale, this single projection reconstruction approach with tomography and find an excellent agreement. This new approach allows for the characterization of beam-sensitive materials or where the acquisition of a tilt series is impossible. As an example, the utility is illustrated by the 3D atomic scale characterization of a nanodumbbell on an in situ heating holder of limited tilt range.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000404614700031 Publication Date 2017-06-09
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 33 Open Access OpenAccess
Notes The authors gratefully acknowledge funding from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0374.13N, G.0369.15N, G.0368.15N, and WO.010.16N) and postdoctoral grants to T. Altantzis, A. De Backer, and B. Goris. S. Bals acknowledges financial support from the European Research Council (Starting Grant No. COLOURATOM 335078). Funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiatieve-I3) is acknowledged. The authors would also like to thank Luis Liz-Marzán, Marek Grzelczak, and Ana Sánchez-Iglesias for sample provision. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 7.367
Call Number EMAT @ emat @ c:irua:144436UA @ admin @ c:irua:144436 Serial 4617
Permanent link to this record
 
 
Author Vermeulen, M.; Sanyova, J.; Janssens, K.; Nuyts, G.; De Meyer, S.; De Wael, K.
Title The darkening of copper- or lead-based pigments explained by a structural modification of natural orpiment : a spectroscopic and electrochemical study Type A1 Journal article
Year 2017 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 32 Issue 7 Pages 1331-1341
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract A combined Raman and electrochemical study of natural orpiment (As2S3), an arsenic sulfide pigment, was used to assess the quick formation of oxidized species such as arsenic oxide (As2O3) upon exposing the pigment to 405 nm or 532 nm monochromatic light while simultaneously recording the Raman spectra of the exposed sample. During this process, a distortion of the main band at 355 cm−1, associated with the stretching of the AsS3/2 pyramids of natural orpiment, was observed as well as an increased intensity of the 359 cm−1 band, corresponding to covalent AsAs bonds in natural orpiment. The distortion was accompanied by an overall decrease of the global Raman signal for natural orpiment, which could be explained by a loss in the crystal structure. The same phenomena were recorded in reference natural orpiment model paint samples stored for a long time together with verdigris (Cu(OH)2·(CH3COO)2·5H2O) and minium (Pb3O4) paints, the latter two appearing darkened on their sides closest to the orpiment sample as well as in several historical samples containing natural orpiment mixed with various blue pigments. By SEM-EDX and XRPD analysis, respectively on loose material and cast thin-sections of model paint samples, the darkening was identified as dark sulfide species such as chalcocite (Cu2S) and galena (PbS), suggesting the release of volatile sulfide or related species by the natural orpiment paint. XANES analyses of paint samples presenting AsAs bond increase indicated the presence of sulfur species most likely identified as organosulfur compounds formed upon the AsAs bond formation and explained the darkening of the Cu- and Pb-based pigments. To the best of our knowledge, this article reports for the first time the light-induced formation of AsAs bonds in natural orpiment used as an artists' pigment and objectively demonstrates the incompatibility between orpiment and (arsenic) sulfide-sensitive pigments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000404998500007 Publication Date 2017-05-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.379 Times cited 10 Open Access
Notes ; This research is made possible with the support of the Belgian Science Policy Office (BELSPO, Brussels) through the research program Science for a Sustainable Development – SDD, “Long-term role and fate of metal-sulfides in painted works of art – S2ART” (SD/RI/04A). We gratefully acknowledge Julie Arslanoglu (Conservation and Scientific Research Department at the Metropolitan Museum of Art, New York, USA) for providing us the orpiment, verdigris and minium mock-up samples. We gratefully acknowledge the Paul Scherrer Institut, Villigen, Switzerland and the German Electron Synchrotron (DESY) for provision of synchrotron radiation beamtimes at respectively beamlines of the SLS and Petra III. ; Approved Most recent IF: 3.379
Call Number UA @ admin @ c:irua:144384 Serial 5564
Permanent link to this record
 
 
Author Kertik, A.; Wee, L.H.; Pfannmöller, M.; Bals, S.; Martens, J.A.; Vankelecom, I.F.J.
Title Highly selective gas separation membrane using in situ amorphised metal-organic frameworks Type A1 Journal article
Year 2017 Publication Energy & environmental science Abbreviated Journal Energ Environ Sci
Volume 10 Issue 10 Pages 2342-2351
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Conventional carbon dioxide (CO2) separation in the petrochemical industry via cryogenic distillation is energy intensive and environmentally unfriendly. Alternatively, polymer membrane-based separations are of significant interest owing to low production cost, low-energy consumption and ease of upscaling. However, the implementation of commercial polymeric membranes is limited by their permeability and selectivity trade-off and the insufficient thermal and chemical stability. Herein, a novel type of amorphous mixed matrix membrane (MMM) able to separate CO2/CH4 mixtures with the highest selectivities ever reported for MOF based MMMs is presented. The MMM consists of an amorphised metal-organic framework (MOF) dispersed in an oxidatively cross-linked matrix achieved by fine tuning of the thermal treatment temperature in air up to 350 degrees C which drastically boosts the separation properties of the MMM. Thanks to the protection of the surrounding polymer, full oxidation of this MOF (i.e. ZIF-8) is prevented, and amorphisation of the MOF is realized instead, thus in situ creating a molecular sieve network. In addition, the treatment also improves the filler-polymer adhesion and induces an oxidative cross-linking of the polyimide matrix, resulting in MMMs with increased stability or plasticization resistance at high pressure up to 40 bar, marking a new milestone as new molecular sieve MOF MMMs for challenging natural gas purification applications. A new field for the use of amorphised MOFs and a variety of separation opportunities for such MMMs are thus opened.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000414774500007 Publication Date 2017-08-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1754-5692; 1754-5706 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 29.518 Times cited 122 Open Access OpenAccess
Notes ; A.K. acknowledges financial support from the Erasmus-Mundus Doctorate in Membrane Engineering (EUDIME) Programme. L.H.W. thanks the FWO-Vlaanderen for a postdoctoral research fellowship (12M1415N). M. P. acknowledges financial support by the FP7 European project SUNFLOWER (FP7 #287594). S. B. acknowledges financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS). J. A. M. gratefully acknowledges financial supports from the Flemish Government for long-term Methusalem funding. J. A. M. and I. F. J. V. acknowledge the Belgian Government for IAP-PAI networking. A. K. would also like to thank Frank Mathijs for the mechanical tests, Roy Bernstein for the XPS analysis and Lien Telen and Bart Goderis for the DSC measurements. We thank Verder Scientific Benelux for providing the service of ZIF-8 ball milling. ; ecas_sara Approved Most recent IF: 29.518
Call Number UA @ lucian @ c:irua:147399UA @ admin @ c:irua:147399 Serial 4879
Permanent link to this record
 
 
Author Bal, K.M.; Neyts, E.C.
Title Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches Type A1 Journal article
Year 2018 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 20 Issue 13 Pages 8456-8459
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000428779700007 Publication Date 2018-03-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 8 Open Access OpenAccess
Notes K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation – Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI. Approved Most recent IF: 4.123
Call Number PLASMANT @ plasmant @c:irua:150357 Serial 4916
Permanent link to this record
 
 
Author Gorbanev, Y.; Verlackt, C.C.W.; Tinck, S.; Tuenter, E.; Foubert, K.; Cos, P.; Bogaerts, A.
Title Combining experimental and modelling approaches to study the sources of reactive species induced in water by the COST RF plasma jet Type A1 Journal article
Year 2018 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 20 Issue 4 Pages 2797-2808
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The vast biomedical potential of cold atmospheric pressure plasmas (CAPs) is governed by the formation of reactive species. These biologically active species are formed upon the interaction of CAPs with the surroundings. In biological milieu, water plays an essential role. The development of biomedical CAPs thus requires understanding of the sources of the reactive species in aqueous media exposed to the plasma. This is especially important in case of the COST RF plasma jet, which is developed as a reference microplasma system. In this work, we investigated the formation of the OH radicals, H atoms and H2O2 in aqueous solutions exposed to the COST plasma jet. This was done by combining experimental and modelling approaches. The liquid phase species were analysed using UV-Vis spectroscopy and spin trapping with hydrogen isotopes and electron paramagnetic resonance (EPR) spectroscopy. The discrimination between the species formed from the liquid phase and the gas phase molecules was performed by EPR and 1H-NMR analyses of the liquid samples. The concentrations of the reactive species in the gas phase plasma were obtained using a zero-dimensional (0D) chemical kinetics computational model. A three-dimensional (3D) fluid dynamics model was developed to provide information on the induced humidity in the plasma effluent. The comparison of the experimentally obtained trends for the formation of the species as a function of the feed gas and effluent humidity with the modelling results suggest that all reactive species detected in our system are mostly formed in the gas phase plasma inside the COST jet, with minor amounts arising from the plasma effluent humidity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000423505500066 Publication Date 2018-01-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 23 Open Access OpenAccess
Notes We are grateful to Volker Schulz-von der Gathen (Experimental Physics II: Application Oriented Plasma Physics, Ruhr-Universita¨t Bochum, Germany) for providing the COST RF plasma jet. We thank our colleagues at the University of Antwerp: Gilles Van Loon (Mechanical Workshop), Karen Leyssens (Research group PLASMANT), and Sylvia Dewilde (Department of Biomedical Sciences) for their help with the equipment. This work was funded by the European Marie Sklodowska-Curie Individual Fellowship ‘LTPAM’ within Horizon2020 (grant no. 657304). Stefan Tinck thanks the Fund for Scientific Research – Flanders (FWO) for supporting his work (grant no. 0880.212.840). Approved Most recent IF: 4.123
Call Number PLASMANT @ plasmant @c:irua:148365 Serial 4808
Permanent link to this record
 
 
Author Verlackt, C.C.W.; Van Boxem, W.; Bogaerts, A.
Title Transport and accumulation of plasma generated species in aqueous solution Type A1 Journal article
Year 2018 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 20 Issue 10 Pages 6845-6859
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The interaction between cold atmospheric pressure plasma and liquids is receiving increasing attention for various applications. In particular, the use of plasma-treated liquids (PTL) for biomedical applications is of growing importance, in particular for sterilization and cancer treatment. However, insight into the

underlying mechanisms of plasma–liquid interactions is still scarce. Here, we present a 2D fluid dynamics model for the interaction between a plasma jet and liquid water. Our results indicate that the formed reactive species originate from either the gas phase (with further solvation) or are formed at the liquid interface. A clear increase in the aqueous density of H2O2, HNO2/NO2- and NO3-

is observed as a function of time, while the densities of O3, HO2/O2- and ONOOH/ONOO- are found to quickly reach a maximum due to chemical reactions in solution. The trends observed in our model correlate well with experimental observations from the literature.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000429286100009 Publication Date 2018-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 35 Open Access OpenAccess
Notes The authors thank Petr Luke`s (Institute of Plasma Physics AS CR, Czech Republic) and Yury Gorbanev (UAntwerp, group PLASMANT) for the fruitful discussions regarding the chemistry in the model and the plasma–liquid interactions. Approved Most recent IF: 4.123
Call Number PLASMANT @ plasmant @c:irua:149557 Serial 4908
Permanent link to this record
 
 
Author Sanchez-Barriga, J.; Ogorodnikov, I.I.; Kuznetsov, M.V.; Volykhov, A.A.; Matsui, F.; Callaert, C.; Hadermann, J.; Verbitskiy, N.I.; Koch, R.J.; Varykhalov, A.; Rader, O.; Yashina, L.V.
Title Observation of hidden atomic order at the interface between Fe and topological insulator Bi2Te3 Type A1 Journal article
Year 2017 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 19 Issue 45 Pages 30520-30532
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract <script type='text/javascript'>document.write(unpmarked('To realize spintronic devices based on topological insulators (TIs), well-defined interfaces between magnetic metals and TIs are required. Here, we characterize atomically precisely the interface between the 3d transition metal Fe and the TI Bi2Te3 at different stages of its formation. Using photoelectron diffraction and holography, we show that after deposition of up to 3 monolayers Fe on Bi2Te3 at room temperature, the Fe atoms are ordered at the interface despite the surface disorder revealed by our scanning-tunneling microscopy images. We find that Fe occupies two different sites: a hollow adatom deeply relaxed into the Bi2Te3 quintuple layers and an interstitial atom between the third (Te) and fourth (Bi) atomic layers. For both sites, our core-level photoemission spectra and density-functional theory calculations demonstrate simultaneous chemical bonding of Fe to both Te and Bi atoms. We further show that upon deposition of Fe up to a thickness of 20 nm, the Fe atoms penetrate deeper into the bulk forming a 2-5 nm interface layer containing FeTe. In addition, excessive Bi is pushed down into the bulk of Bi2Te3 leading to the formation of septuple layers of Bi3Te4 within a distance of similar to 25 nm from the interface. Controlling the magnetic properties of the complex interface structures revealed by our work will be of critical importance when optimizing the efficiency of spin injection in TI-based devices.'));
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000416054400023 Publication Date 2017-10-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 4 Open Access OpenAccess
Notes ; The authors acknowledge financial support within the bilateral program “Russian-German Laboratory at BESSY II” and thank Helmholtz Zentrum Berlin for granting access to the beamlines RGBL, UE112-PGM2a and U49-PGM1. The Supercomputing Center of Lomonosov Moscow State University is gratefully acknowledged for granting access to the “Lomonosov” supercomputer. The work was partially supported by DFG priority program SPP 1666, Impuls- und Vernetzungsfonds der Helmholtz-Gemeinschaft (Grant No. HRJRG-408) and Russian Foundation for Basic Research (Grants No. 13-02-91327 and No. 16-29-06410). C. C. acknowledges support from the University of Antwerp through the BOF grant 31445. The authors thank Dr Vera Neudachina, Daria Tsukanova, Dr Elmar Kataev and Dr Maria Batuk for their support during the XPS and TEM experiments. ; Approved Most recent IF: 4.123
Call Number UA @ lucian @ c:irua:147659 Serial 4888
Permanent link to this record