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Author Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. pdf  url
doi  openurl
  Title Structural and electronic properties of defects at grain boundaries in CuInSe2 Type A1 Journal article
  Year 2017 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 19 Issue 19 Pages 14770-14780  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We report on a first-principles study of the structural and electronic properties of a Sigma3 (112) grain boundary model in CuInSe2. The study focuses on a coherent, stoichiometry preserving, cation–Se terminated grain boundary, addressing the properties of the grain boundary as such, as well as the effect

of well known defects in CuInSe2. We show that in spite of its apparent simplicity, such a grain boundary exhibits a very rich phenomenology, providing an explanation for several of the experimentally observed properties of grain boundaries in CuInSe2 thin films. In particular, we show that the combined effect of Cu vacancies and cation antisites can result in the observed Cu depletion with no In enrichment at the grain boundaries. Furthermore, Cu vacancies are unlikely to produce a hole barrier at the grain boundaries, but Na may indeed have such an effect. We find that Na-on-Cu defects will tend to form abundantly at

the grain boundaries, and can provide a mechanism for the carrier depletion and/or type inversion experimentally reported.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000403327200059 Publication Date 2017-05-12  
  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 12 Open Access OpenAccess  
  Notes We thank B. Schoeters for his assistance running the GBstudio software. We acknowledge the financial support of FWO-Vlaanderen through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI. Approved Most recent IF: 4.123  
  Call Number EMAT @ emat @ c:irua:143869 Serial 4577  
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Author Zhong, Z.; Goris, B.; Schoenmakers, R.; Bals, S.; Batenburg, K.J. pdf  url
doi  openurl
  Title A bimodal tomographic reconstruction technique combining EDS-STEM and HAADF-STEM Type A1 Journal article
  Year 2017 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 174 Issue 174 Pages 35-45  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A three-dimensional (3D) chemical characterization of nanomaterials can be obtained using tomography based on high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) or energy dispersive X-ray spectroscopy (EDS) STEM. These two complementary techniques have both advantages and disadvantages. The Z-contrast images have good image quality but lack robustness in the compositional analysis, while the elemental maps give more element-specific information, but at a low signal-to-noise ratio and a longer exposure time. Our aim is to combine these two types of complementary information in one single tomographic reconstruction process. Therefore, an imaging model is proposed combining both HAADF-STEM

and EDS-STEM. Based on this model, the elemental distributions can be reconstructed using both types of information simultaneously during the reconstruction process. The performance of the new technique is evaluated using simulated data and real experimental data. The results demonstrate that combining two imaging modalities leads to tomographic reconstructions with suppressed noise and enhanced contrast.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000403342200005 Publication Date 2016-12-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 26 Open Access OpenAccess  
  Notes This research is supported by the Dutch Technology Foundation STW (http://www.stw.nl/), which is part of the Netherlands Organization for Scientific Research (NWO), and which is partly funded by the Ministry of Economic Affairs, Agriculture and Innovation under project number 13314. It is also supported by the Flemish research foundation (FWO Vlaanderen) by project funding (G038116N) and a postdoctoral research grant to B.G. Funding from the European Research Council (Starting Grant No. COLOURATOMS 335078) is acknowledged by S.B. The authors would like to thank Dr. Bernd Rieger and Dr. Richard Aveyard for useful discussions, and Prof. Dr. Luis M. Liz-Marzan for providing the investigated samples. We also acknowledge COST Action MP1207 for networking support. (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 2.843  
  Call Number EMAT @ emat @ c:irua:141719UA @ admin @ c:irua:141719 Serial 4484  
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Author Gonnissen, J.; De Backer, A.; den Dekker, A.J.; Sijbers, J.; Van Aert, S. url  doi
openurl 
  Title Atom-counting in High Resolution Electron Microscopy: TEM or STEM – that's the question Type A1 Journal article
  Year 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 174 Issue 174 Pages 112-120  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract In this work, a recently developed quantitative approach based on the principles of detection theory is used in order to determine the possibilities and limitations of High Resolution Scanning Transmission Electron Microscopy (HR STEM) and HR TEM for atom-counting. So far, HR STEM has been shown to be an appropriate imaging mode to count the number of atoms in a projected atomic column. Recently, it has been demonstrated that HR TEM, when using negative spherical aberration imaging, is suitable for atom-counting as well. The capabilities of both imaging techniques are investigated and compared using the probability of error as a criterion. It is shown that for the same incoming electron dose, HR STEM outperforms HR TEM under common practice standards, i.e. when the decision is based on the probability function of the peak intensities in HR TEM and of the scattering cross-sections in HR STEM. If the atom-counting decision is based on the joint probability function of the image pixel values, the dependence of all image pixel intensities as a function of thickness should be known accurately. Under this assumption, the probability of error may decrease significantly for atom-counting in HR TEM and may, in theory, become lower as compared to HR STEM under the predicted optimal experimental settings. However, the commonly used standard for atom-counting in HR STEM leads to a high performance and has been shown to work in practice.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000403342200013 Publication Date 2016-10-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 2 Open Access  
  Notes The authors gratefully acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0368.15N, G.0369.15N, G.0374.13N, and WO.010.16N) and a postdoctoral grant to A. De Backer. The research leading to these results has received funding from the European Union Seventh Framework Programme [FP7/2007-2013] under Grant agreement no. 312483 (ESTEEM2). Approved Most recent IF: 2.843  
  Call Number EMAT @ emat @ c:irua:137102 Serial 4315  
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Author Zhuge, X.; Jinnai, H.; Dunin-Borkowski, R.E.; Migunov, V.; Bals, S.; Cool, P.; Bons, A.-J.; Batenburg, K.J. pdf  url
doi  openurl
  Title Automated discrete electron tomography – Towards routine high-fidelity reconstruction of nanomaterials Type A1 Journal article
  Year 2017 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 175 Issue 175 Pages 87-96  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)  
  Abstract Electron tomography is an essential imaging technique for the investigation of morphology and 3D structure of nanomaterials. This method, however, suffers from well-known missing wedge artifacts due to a restricted tilt range, which limits the objectiveness, repeatability and efficiency of quantitative structural analysis. Discrete tomography represents one of the promising reconstruction techniques for materials science, potentially capable of delivering higher fidelity reconstructions by exploiting the prior knowledge of the limited number of material compositions in a specimen. However, the application of discrete tomography to practical datasets remains a difficult task due to the underlying challenging mathematical problem. In practice, it is often hard to obtain consistent reconstructions from experimental datasets. In addition, numerous parameters need to be tuned manually, which can lead to bias and non-repeatability. In this paper, we present the application of a new

iterative reconstruction technique, named TVR-DART, for discrete electron tomography. The technique is capable of consistently delivering reconstructions with significantly reduced missing wedge artifacts for a variety of challenging data and imaging conditions, and can automatically estimate its key parameters. We describe the principles of the technique and apply it to datasets from three different types of samples acquired under diverse imaging modes. By further reducing the available tilt range and number of projections, we show that the

proposed technique can still produce consistent reconstructions with minimized missing wedge artifacts. This new development promises to provide the electron microscopy community with an easy-to-use and robust tool for high-fidelity 3D characterization of nanomaterials.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000403342500008 Publication Date 2017-01-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 22 Open Access OpenAccess  
  Notes This work has been supported in part by the Stichting voor de Technische Wetenschappen (STW) through a personal grant (Veni,13610), and was in part by ExxonMobil Chemical Europe Inc. The authors further acknowledge financial support from the University of Antwerp through BOF GOA funding. S.B. acknowledges financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). R.D.B. is grateful for funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/2007–2013)/ ERC grant agreement number 320832. Thomas Altantzis is gratefully acknowledged for acquiring the Anatase nanosheets dataset. (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 2.843  
  Call Number EMAT @ emat @ c:irua:141218UA @ admin @ c:irua:141218 Serial 4485  
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Author García Sánchez, C.; Van Tendeloo, G.; Gorle, C. pdf  url
doi  openurl
  Title Quantifying inflow uncertainties in RANS simulations of urban pollutant dispersion Type A1 Journal article
  Year 2017 Publication Atmospheric environment : an international journal Abbreviated Journal Atmos Environ  
  Volume 161 Issue Pages 263-273  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Numerical simulations of flow and pollutant dispersion in urban environments have the potential to support design and policy decisions that could reduce the population's exposure to air pollution. Reynolds-averaged Navier-Stokes simulations are a common modeling technique for urban flow and dispersion, but several sources of uncertainty in the simulations can affect the accuracy of the results. The present study proposes a method to quantify the uncertainty related to variability in the inflow boundary conditions. The method is applied to predict flow and pollutant dispersion in downtown Oklahoma City and the results are compared to field measurements available from the Joint Urban 2003 measurement campaign. Three uncertain parameters that define the inflow profiles for velocity, turbulence kinetic energy and turbulence dissipation are defined: the velocity magnitude and direction, and the terrain roughness length. The uncertain parameter space is defined based on the available measurement data, and a non-intrusive propagation approach that employs 729 simulations is used to quantify the uncertainty in the simulation output. A variance based sensitivity analysis is performed to identify the most influential uncertain parameters, and it is shown that the predicted tracer concentrations are influenced by all three uncertain variables. Subsequently, we specify different probability distributions for the uncertain inflow variables based on the available measurement data and calculate the corresponding means and 95% confidence intervals for comparison with the field measurements at 35 locations in downtown Oklahoma City. (C) 2017 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos (up) 000403515900025 Publication Date 2017-04-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1352-2310 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.629 Times cited 17 Open Access OpenAccess  
  Notes ; The first author's contribution to this work was supported by the doctoral (PhD) grant number 131423 for strategic basic research from the Agency for Innovation by Science and Technology in Flanders (IWT). This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number CTS160009 (Towns et al., 2014). ; Approved Most recent IF: 3.629  
  Call Number UA @ lucian @ c:irua:145761 Serial 4749  
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Author Wang, L.; Hu, Z.-Y.; Yang, X.-Y.; Zhang, B.-B.; Geng, W.; Van Tendeloo, G.; Su, B.-L. url  doi
openurl 
  Title Polydopamine nanocoated whole-cell asymmetric biocatalysts Type A1 Journal article
  Year 2017 Publication Chemical communications Abbreviated Journal Chem Commun  
  Volume 53 Issue 49 Pages 6617-6620  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Our whole-cell biocatalyst with a polydopamine nanocoating shows high catalytic activity (5 times better productivity than the native cell) and reusability (84% of the initial yield after 5 batches, 8 times higher than the native cell) in asymmetric reduction. It also integrates with titania, silica, and magnetic nanoparticles for multi-functionalization.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos (up) 000403572100018 Publication Date 2017-05-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-7345; 1364-548x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.319 Times cited 15 Open Access OpenAccess  
  Notes ; This work was supported by PCSIRT (IRT_15R52), NSFC (U1663225, U1662134, 51472190, 51611530672, 51503166), ISTCP (2015DFE52870), HPNSF (2016CFA033), CNPC (PPC2016007) and the China Scholarship Council (CSC). We thank Prof. Damien Hermand (URPhyM in UNamur) for help with cell culture, Ms Noelle Ninane (Narilis in UNamur) for help with CLSM characterization and Ms Siming Wu (WHUT) for help with magnetic property characterization. ; Approved Most recent IF: 6.319  
  Call Number UA @ lucian @ c:irua:144185 Serial 4681  
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Author Béché, A.; Juchtmans, R.; Verbeeck, J. pdf  url
doi  openurl
  Title Efficient creation of electron vortex beams for high resolution STEM imaging Type A1 Journal article
  Year 2017 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 178 Issue 178 Pages 12-19  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The recent discovery of electron vortex beams carrying quantised angular momentum in the TEM has led to an active field of research, exploring a variety of potential applications including the possibility of mapping magnetic states at the atomic scale. A prerequisite for this is the availability of atomic sized electron vortex beams at high beam current and mode purity. In this paper we present recent progress showing that by making use of the Aharonov-Bohm effect near the tip of a long single domain ferromagnetic Nickel needle, a very efficient aperture for the production of electron vortex beams can be realised. The aperture transmits more than 99% of all electrons and provides a vortex mode purity of up to 92%. Placing this aperture in the condenser plane of a state of the art Cs corrected microscope allows us to demonstrate atomic resolution HAADF STEM images with spatial resolution better than 1 Angstrom, in agreement with theoretical expectations and only slightly inferior to the performance of a non-vortex probe on the same instrument.  
  Address EMAT, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos (up) 000403862900003 Publication Date 2016-05-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 30 Open Access OpenAccess  
  Notes A.B. and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX. J.V. acknowledges funding from FWO project G.0044.13N ('Charge ordering').; ECASJO_; Approved Most recent IF: 2.843  
  Call Number c:irua:134085 c:irua:134085UA @ admin @ c:irua:134085 Serial 4094  
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Author Muller-Caspary, K.; Krause, F.F.; Grieb, T.; Loffler, S.; Schowalter, M.; Béché, A.; Galioit, V.; Marquardt, D.; Zweck, J.; Schattschneider, P.; Verbeeck, J.; Rosenauer, A. pdf  url
doi  openurl
  Title Measurement of atomic electric fields and charge densities from average momentum transfers using scanning transmission electron microscopy Type A1 Journal article
  Year 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 178 Issue 178 Pages 62-80  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract This study sheds light on the prerequisites, possibilities, limitations and interpretation of high-resolution differential phase contrast (DPC) imaging in scanning transmission electron microscopy (STEM). We draw particular attention to the well-established DPC technique based on segmented annular detectors and its relation to recent developments based on pixelated detectors. These employ the expectation value of the momentum transfer as a reliable measure of the angular deflection of the STEM beam induced by an electric field in the specimen. The influence of scattering and propagation of electrons within the specimen is initially discussed separately and then treated in terms of a two-state channeling theory. A detailed simulation study of GaN is presented as a function of specimen thickness and bonding. It is found that bonding effects are rather detectable implicitly, e.g., by characteristics of the momentum flux in areas between the atoms than by directly mapping electric fields and charge densities. For strontium titanate, experimental charge densities are compared with simulations and discussed with respect to experimental artifacts such as scan noise. Finally, we consider practical issues such as figures of merit for spatial and momentum resolution, minimum electron dose, and the mapping of larger-scale, built-in electric fields by virtue of data averaged over a crystal unit cell. We find that the latter is possible for crystals with an inversion center. Concerning the optimal detector design, this study indicates that a sampling of 5mrad per pixel is sufficient in typical applications, corresponding to approximately 10x10 available pixels.  
  Address Institut fur Festkr perphysik, Universitat Bremen, Otto-Hahn-Allee 1, 28359 Bremen, Germany  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos (up) 000403862900009 Publication Date 2016-05-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 93 Open Access  
  Notes K.M.-C. acknowledges support from the Deutsche Forschungsgemeinschaft (DFG) under contract MU3660/1-1. This work was further supported by the DFG under contract RO2057/4-2 and O2057/11-1. J.V. and A.B. acknowledge funding from the European Research Council (ERC) under the 7th Framework Program (FP7), and ERC Starting Grant No. 278510-VORTEX. Experimental results are obtained on the Qu-Ant-EM microscope partly funded by the Hercules fund from the Flemish government. J.V. also acknowledges funding through a GOA project “Solarpaint” of the University of Antwerp. SL and PS acknowledge financial support by the Austrian Science Fund (FWF) under grants No. I543-N20 and J3732-N27. ECASJO_; Approved Most recent IF: 2.843  
  Call Number c:irua:134125UA @ admin @ c:irua:134125 Serial 4098  
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Author Zhang, F.; Chevalier, J.; Olagnon, C.; Batuk, M.; Hadermann, J.; Van Meerbeek, B.; Vleugels, J. pdf  doi
openurl 
  Title Grain-boundary engineering for aging and slow-crack-growth resistant zirconia Type A1 Journal article
  Year 2017 Publication Journal of dental research Abbreviated Journal J Dent Res  
  Volume 96 Issue 7 Pages 774-779  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Ceramic materials are prone to slow crack growth, resulting in strength degradation over time. Although yttria-stabilized zirconia (Y-TZP) ceramics have higher crack resistance than other dental ceramics, their aging susceptibility threatens their long-term performance in aqueous environments such as the oral cavity. Unfortunately, increasing the aging resistance of Y-TZP ceramics normally reduces their crack resistance. Our recently conducted systematic study of doping 3Y-TZP with various trivalent cations revealed that lanthanum oxide (La2O3) and aluminum oxide (Al2O3) have the most potent effect to retard the aging kinetics of 3Y-TZP. In this study, the crack-propagation behavior of La2O3 and Al2O3 co-doped 3Y-TZP ceramics was investigated by double-torsion methods. The grain boundaries were examined using scanning transmission electron microscopy and energy-dispersive spectroscopy (STEM-EDS). Correlating these analytic data with hydrothermal aging studies using different doping systems, a strategy to strongly bind the segregated dopant cations with the oxygen vacancies at the zirconia-grain boundary was found to improve effectively the aging resistance of Y-TZP ceramics without affecting the resistance to crack propagation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication St. Louis, Mo. Editor  
  Language Wos (up) 000403934500010 Publication Date 2017-03-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-0345 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.755 Times cited 3 Open Access Not_Open_Access  
  Notes ; This research was supported by the Research Fund of KU Leuven under project 0T/ 10/052 and the Research Foundation-Flanders (FWO-Vlaanderen) under grant G.0431.10N. We thank J.W. Seo for TEM and sample preparations. F. Zhang thanks the Research Fund of KU Leuven for her postdoctoral fellowship (PDM/15/153) and the JECS-Trust for the travel grant (No. 201599) to perform double-torsion testing in the MATEIS lab of INSA, Lyon, France. Jerome Chevalier would like to dedicate this paper to Maria Cattani Lorente, who recently passed away under tragic conditions. She was deeply involved in the study of dental zirconia and we will miss her. The authors declare no potential conflicts of interest with respect to the authorship and/or publication of this article. ; Approved Most recent IF: 4.755  
  Call Number UA @ lucian @ c:irua:144161 Serial 4660  
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Author Schryvers, D.; Salje, E.K.H.; Nishida, M.; De Backer, A.; Idrissi, H.; Van Aert, S. pdf  url
doi  openurl
  Title Quantification by aberration corrected (S)TEM of boundaries formed by symmetry breaking phase transformations Type A1 Journal article
  Year 2017 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 176 Issue Pages 194-199  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The present contribution gives a review of recent quantification work of atom displacements, atom site occupations and level of crystallinity in various systems and based on aberration corrected HR(S)TEM images. Depending on the case studied, picometer range precisions for individual distances can be obtained, boundary widths at the unit cell level determined or statistical evolutions of fractions of the ordered areas calculated. In all of these cases, these quantitative measures imply new routes for the applications of the respective materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000403992200026 Publication Date 2017-01-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 1 Open Access OpenAccess  
  Notes The authors acknowledge financial support from the Fund for Scientific Research-Flanders (G.0064.10N, G.0393.11N, G.0374.13N, G.0368.15N, G.0369.15N) and the Flemish Hercules 3 program for large infrastructure as well as financial support from the European Union Seventh Framework Programme (FP7/2007 – 2013) under Grant agreement no. 312483 (ESTEEM2). EKHS thanks EPSRC (EP/ K009702/1) and the Leverhulme trust (EM-2016-004) for support. DS and MN acknowledge financial support from the Japan Society for the Promotion of Science (JSPS, Japan) through the Grant-in-Aid for Scientific Research (A: No. 26249090) and the Strategic Young Researcher Overseas Visits Program for Accelerating Brain Circulation (R2408). Approved Most recent IF: 2.843  
  Call Number EMAT @ emat @c:irua:149654 Serial 4914  
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Author Pullini, D.; Sgroi, M.; Mahmoud, A.; Gauquelin, N.; Maschio, L.; Lorenzo-Ferrari, A.M.; Groenen, R.; Damen, C.; Rijnders, G.; van den Bos, K.H.W.; Van Aert, S.; Verbeeck, J. pdf  url
doi  openurl
  Title One step toward a new generation of C-MOS compatible oxide p-n junctions: Structure of the LSMO/ZnO interface elucidated by an experimental and theoretical synergic work Type A1 Journal article
  Year 2017 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 9 Issue 9 Pages 20974-20980  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Heterostructures formed by La0.7Sr0.3MnO3/ZnO (LSMO/ZnO) interfaces exhibit extremely interesting electronic properties making them promising candidates for novel oxide p–n junctions, with multifunctional features. In this work, the structure of the interface is studied through a combined experimental/theoretical approach. Heterostructures were grown epitaxially and homogeneously on 4″ silicon wafers, characterized by advanced electron microscopy imaging and spectroscopy and simulated by ab initio density functional theory calculations. The simulation results suggest that the most stable interface configuration is composed of the (001) face of LSMO, with the LaO planes exposed, in contact with the (112̅0) face of ZnO. The ab initio predictions agree well with experimental high-angle annular dark field scanning transmission electron microscopy images and confirm the validity of the suggested structural model. Electron energy loss spectroscopy confirms the atomic sharpness of the interface. From statistical parameter estimation theory, it has been found that the distances between the interfacial planes are displaced from the respective ones of the bulk material. This can be ascribed to the strain induced by the mismatch between the lattices of the two materials employed  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000404090000079 Publication Date 2017-05-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.504 Times cited 4 Open Access OpenAccess  
  Notes Financial support is acknowledged from the European Commission – DG research and innovation to the collaborative research project named Interfacing oxides (IFOX, Contract No. NMP3-LA-2010-246102). N.G. and J.V. acknowledge the European Union (EU) Council under the 7th Framework Program (FP7) ERC Starting Grant 278510 VORTEX for support. S.V.A. and K.H.W.B. acknowledge financial support from the Research Foundation Flanders through project fundings (G.0374.13N , G.0368.15N, and G.0369.15N) and a Ph.D. research grant to K.H.W.B. The microscope was partly funded by the Hercules Fund from the Flemish Government. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. CINECA is acknowledged for computational facilities (Iscra project HP10CMO1UP). Approved Most recent IF: 7.504  
  Call Number EMAT @ emat @ c:irua:144431UA @ admin @ c:irua:144431 Serial 4621  
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Author Ranjbar, S.; Hadipour, A.; Vermang, B.; Batuk, M.; Hadermann, J.; Garud, S.; Sahayaraj, S.; Meuris, M.; Brammertz, G.; da Cunha, A.F.; Poortmans, J. pdf  url
doi  openurl
  Title P-N Junction Passivation in Kesterite Solar Cells by Use of Solution-Processed TiO2 Layer Type A1 Journal article
  Year 2017 Publication IEEE journal of photovoltaics Abbreviated Journal Ieee J Photovolt  
  Volume 7 Issue 7 Pages 1130-1135  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In this work, we used a solution-processed TiO2 layer between Cu2ZnSnSe4 and CdS buffer layer to reduce the recombination at the p–n junction. Introducing the TiO2 layer showed a positive impact on VOC but fill factor and efficiency decreased. Using a KCN treatment, we could create openings in the TiO2 layer, as confirmed by transmission electron microscopy measurements. Formation of these openings in the TiO2 layer led to the improvement of the short-circuit current, fill factor, and the efficiency of the modified solar cells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000404258900026 Publication Date 2017-04-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2156-3381 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.712 Times cited 2 Open Access OpenAccess  
  Notes This work was supported in part by the European Union’s Horizon 2020 research and innovation program under Grant 640868, in part by the Flemish government, Department Economy, Science and Innovation, in part by the FEDER funds through the COMPETE 2020 Programme, and in part by the National Funds through FCT – Portuguese Foundation for Science and Technology under the project UID/CTM/50025/2013. The work of S. Ranjbar was supported by the Portuguese Science and Technology Foundation through Ph.D. grant SFRH/BD/78409/2011. The work of B. Vermang was supported by the Flemish Research Foundation FWO (mandate 12O4215N). Approved Most recent IF: 3.712  
  Call Number EMAT @ emat @ c:irua:143986 Serial 4583  
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Author Jacquet, Q.; Perez, A.; Batuk, D.; Van Tendeloo, G.; Rousse, G.; Tarascon, J.-M. url  doi
openurl 
  Title The Li3RuyNb1-yO4 (0 ≤y≤ 1) System: Structural Diversity and Li Insertion and Extraction Capabilities Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 29 Issue 12 Pages 5331-5343  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Searching for novel high-capacity electrode materials combining cationic and anionic redox processes is an ever-growing activity within the field of Li-ion batteries. In this respect, we report on the exploration of the Li3RuyNb1-yO4 (O <= y <= 1) system with an O/M ratio of 4 to maximize the number of oxygen lone pairs, responsible for the anionic redox. We show that this system presents a very rich crystal chemistry with the existence of four structural types, which derive from the rocksalt structure but differ in their cationic arrangement, creating either zigzag, helical, jagged chains or clusters. From an electrochemical standpoint, these compounds are active on reduction via a classical cationic insertion process. The oxidation process is more complex, because of the instability of the delithiated phase. Our results promote the use of the rich Li3MO4 family as a viable platform for a better understanding of the relationships between structure and anionic redox activity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000404493100036 Publication Date 2017-06-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 17 Open Access Not_Open_Access  
  Notes The authors thank Paul Pearce, Alexis Grimaud, Matthieu Saubanere, and Marie-Liesse Doublet for fruitful discussions, Vivian Nassif for her help in neutron diffraction experiment at the D1B diffractometer at ILL, and Dominique Foix for XPS analysis. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Q.J. thanks the ANR “Deli-Redox” for Ph.D. funding. J.-M.T. and D.B. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC Grant -Project 670116-ARPEMA. Approved Most recent IF: 9.466  
  Call Number EMAT @ emat @c:irua:147506 Serial 4776  
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Author De Backer, A.; Jones, L.; Lobato, I.; Altantzis, T.; Goris, B.; Nellist, P.D.; Bals, S.; Van Aert, S. url  doi
openurl 
  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 (up) 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  
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Author Ramaneti, R.; Sankaran, K.J.; Korneychuk, S.; Yeh, C.J.; Degutis, G.; Leou, K.C.; Verbeeck, J.; Van Bael, M.K.; Lin, I.N.; Haenen, K. url  doi
openurl 
  Title Vertically aligned diamond-graphite hybrid nanorod arrays with superior field electron emission properties Type A1 Journal article
  Year 2017 Publication APL materials Abbreviated Journal Apl Mater  
  Volume 5 Issue 6 Pages 066102  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract A “patterned-seeding technique” in combination with a “nanodiamond masked reactive ion etching process” is demonstrated for fabricating vertically aligned diamond-graphite hybrid (DGH) nanorod arrays. The DGH nanorod arrays possess superior field electron emission (FEE) behavior with a low turn-on field, long lifetime stability, and large field enhancement factor. Such an enhanced FEE is attributed to the nanocomposite nature of theDGHnanorods, which contain sp(2)-graphitic phases in the boundaries of nano-sized diamond grains. The simplicity in the nanorod fabrication process renders the DGH nanorods of greater potential for the applications as cathodes in field emission displays and microplasma display devices. (C) 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000404623000002 Publication Date 2017-06-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2166-532x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.335 Times cited 16 Open Access  
  Notes The authors would like to thank the Methusalem “NANO” network for financial support and Mr. B. Ruttens and Professor Jan D'Haen for technical and experimental assistance. K.J. Sankaran is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO). Approved Most recent IF: 4.335  
  Call Number UA @ admin @ c:irua:152633 Serial 5369  
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Author Singh, V.; Mehta, B.R.; Sengar, S.K.; Karakulina, O.M.; Hadermann, J.; Kaushal, A. pdf  doi
openurl 
  Title Achieving independent control of core diameter and carbon shell thickness in Pd-C core–shell nanoparticles by gas phase synthesis Type A1 Journal article
  Year 2017 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 28 Issue 29 Pages 295603  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Pd-C core–shell nanoparticles with independently controllable core size and shell thickness are grown by gas phase synthesis. First, the core size is selected by electrical mobility values of charged particles, and second, the shell thickness is controlled by the concentration of carbon precursor gas. The carbon shell grows by adsorption of carbon precursor gas molecules on the surface of nanoparticles, followed by sintering. The presence of a carbon shell on Pd nanoparticles is potentially important in hydrogen-related applications operating at high temperatures or in catalytic reactions in acidic/aqueous environments.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000404633200002 Publication Date 2017-06-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 1 Open Access Not_Open_Access  
  Notes VS is thankful to the All India Council for Technical Education, India, for providing assistantship under its Quality Improvement Programme. BRM gratefully acknowledges the support of the Nanomission Programme of the Department of Science and Technology (DST), India and Schlumberger Chair Professorship. BRM would also like to acknowledge the support from the project funded by BRNS, DAE, India. Approved Most recent IF: 3.44  
  Call Number EMAT @ emat @c:irua:144831 Serial 4712  
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Author Zhang, L.; Lin, B.-C.; Wu, Y.-F.; Wu, H.; Huang, T.-W.; Chang, C.-R.; Ke, X.; Kurttepeli, M.; Tendeloo, G.V.; Xu, J.; Yu, D.; Liao, Z.-M. url  doi
openurl 
  Title Electronic Coupling between Graphene and Topological Insulator Induced Anomalous Magnetotransport Properties Type A1 Journal article
  Year 2017 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 11 Issue 11 Pages 6277-6285  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract It has been theoretically proposed that the spin textures of surface states in a topological insulator can be directly transferred to graphene by means of the proximity effect, which is very important for realizing the two-dimensional topological insulator based on graphene. Here we report the anomalous magnetotransport properties of graphene-topological insulator Bi2Se3 heterojunctions, which are sensitive to the electronic coupling between graphene and the topological surface state. The coupling between the p_z orbitals of graphene and the p orbitals of the surface states on the Bi2Se3 bottom surface can be enhanced by applying a perpendicular negative magnetic field, resulting in a giant negative magnetoresistance at the Dirac point up to about -91%. Obvious resistances dip in the transfer curve at the Dirac point is also observed in the hybrid devices, which is consistent with theoretical predictions of the distorted Dirac bands with nontrivial spin textures inherited from the Bi2Se3 surface states.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000404808000110 Publication Date 2017-05-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 12 Open Access OpenAccess  
  Notes ; This work was supported by National Key Research and Development Program of China (Nos. 2016YFA0300802, 2013CB934600) and NSFC (No. 11234001). ; Approved Most recent IF: 13.942  
  Call Number EMAT @ emat @ c:irua:143192 Serial 4569  
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Author Bartolome, E.; Cayado, P.; Solano, E.; Mocuta, C.; Ricart, S.; Mundet, B.; Coll, M.; Gazquez, J.; Meledin, A.; Van Tendeloo, G.; Valvidares, S.M.; Herrero-Martin, J.; Gargiani, P.; Pellegrin, E.; Magen, C.; Puig, T.; Obradors, X. pdf  doi
openurl 
  Title Hybrid YBa2Cu3O7 superconducting-ferromagnetic nanocomposite thin films prepared from colloidal chemical solutions Type A1 Journal article
  Year 2017 Publication Advanced Electronic Materials Abbreviated Journal Adv Electron Mater  
  Volume 3 Issue 7 Pages 1700037  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract High T-c superconductor-ferromagnetic heterostructures constitute an appealing playground to study the interplay between flux vortices and magnetic moments. Here, the capability of a solution-derived route to grow hybrid YBa2Cu3O7-ferromagnetic nanocomposite epitaxial thin films from preformed spinel ferrite (MFe2O4, M = Mn, Co) nanoparticles (NPs) is explored. The characterization, performed using a combination of structural and magnetic techniques, reveals the complexity of the resulting nanocomposites. Results show that during the YBCO growth process, most of the NPs evolve to ferromagnetic double-perovskite (DP) phases (YBaCu2-x-yFexCoyO5/YBaCoFeO5), while a residual fraction of preformed ferrite NPs may remain in the YBCO matrix. Magnetometry cycles reflect the presence of ferromagnetic structures associated to the DPs embedded in the superconducting films. In addition, a superparamagnetic signal that may be associated with a diluted system of ferromagnetic clusters around complex defects has been detected, as previously observed in standard YBCO films and nanocomposites. The hybrid nanocomposites described in this work will allow studying several fundamental issues like the nucleation of superconductivity and the mechanisms of magnetic vortex pinning in superconducting/ferromagnetic heterostructures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000405205300010 Publication Date 2017-05-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2199-160x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.193 Times cited 7 Open Access Not_Open_Access  
  Notes ; The authors acknowledge financial support from Spanish Ministry of Economy and Competitiveness through the “Severo Ochoa” Programme for Centres of Excellence in R& D (SEV-2015-0496), CONSOLIDER Excellence Network (MAT2015-68994-REDC), COACHSUPENERGY project (MAT2014-51778-C21-R, cofinanced by the European Regional Development Fund), and from the Catalan Government with 2014-SGR753 and Xarmae. Some of the electron microscopy work has also been conducted in the Laboratorio de Microscopias Avanzadas (LMA) at Instituto de Nanociencia de Aragcn (INA) at the University of Zaragoza. Part of the electron microscopy work in EMAT group ( University of Antwerp) was performed within the framework of the EUROTAPES project (FP7-NMP. 2011.2.2-1 Grant No. 280432), funded by the European Union. Work at INA-LMA was supported by NanoAraCat. Research at UCM (J.S.) was supported by the ERC starting Investigator Award, Grant No. 239739 STEMOX and Juan de la Cierva Program JCI2011-09428 (MICINN-Spain). The XMCD experiments were performed at the BOREAS beamline of the ALBA Synchrotron Light Facility with the collaboration of ALBA staff. The authors would like to thank SOLEIL synchrotron for allocating beamtime and the DiffAbs beamline staff for help during the experiments. ; Approved Most recent IF: 4.193  
  Call Number UA @ lucian @ c:irua:144852 Serial 4719  
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Author Vladimirova, S.A.; Rumyantseva, M.N.; Filatova, D.G.; Chizhov, A.S.; Khmelevsky, N.O.; Konstantinova, E.A.; Kozlovsky, V.F.; Marchevsky, A.V.; Karakulina, O.M.; Hadermann, J.; Gaskov, A.M. pdf  url
doi  openurl
  Title Cobalt location in p -CoO x / n -SnO 2 nanocomposites: Correlation with gas sensor performances Type A1 Journal Article
  Year 2017 Publication Journal Of Alloys And Compounds Abbreviated Journal J Alloy Compd  
  Volume 721 Issue Pages 249-260  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract Nanocomposites CoOx/SnO2 based on tin oxide powders with different crystallinity have been prepared by wet chemical synthesis and characterized in detail by ICP-MS, XPS, EPR, XRD, HAADF-STEM imaging and EDX-STEM mapping. It was shown that cobalt is distributed differently between the bulk and surface of SnO2 nanocrystals, which depends on the crystallinity of the SnO2 matrix. The measurements of gas sensor properties have been carried out during exposure to CO (10 ppm), and H2S (2 ppm) in dry air. The decrease of sensor signal toward CO was attributed to high catalytic activity of Co3O4 leading to oxidation of carbon monoxide entirely on the surface of catalyst particles. The formation of a p-CoOx/n-SnO2 heterojunction results in high sensitivity of nanocomposites in H2S detection. The conductance significantly changed in the presence of H2S, which was attributed to the formation of metallic cobalt sulfide and removal of the p – n junction.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000405252400030 Publication Date 2017-06-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-8388 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.133 Times cited Open Access Not_Open_Access  
  Notes This work was supported by ERA-Net.Plus grant N 096 FONSENS. EPR experiments were performed using the facilities of the Collective Use Center at the Moscow State University. Approved Most recent IF: 3.133  
  Call Number EMAT @ emat @ Serial 4711  
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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. pdf  url
doi  openurl
  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.
 
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  Language Wos (up) 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  
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Author Longo, R.; Ferrarotti, M.; Garcia Sánchez, C.; Derudi, M.; Parente, A. pdf  doi
openurl 
  Title Advanced turbulence models and boundary conditions for flows around different configurations of ground-mounted buildings Type A1 Journal article
  Year 2017 Publication Journal of wind engineering and industrial aerodynamics Abbreviated Journal J Wind Eng Ind Aerod  
  Volume 167 Issue Pages 160-182  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract When dealing with Atmospheric Boundary Layer (ABL) simulations, commercial computational fluid dynamics (CFD) acquires a strategic resonance. Thanks to its good compromise between accuracy of results and calculation time, RANS still represents a valid alternative to more resource-demanding methods. However, focusing on the models' performances in urban studies, LES generally outmatches RANS results, even if the former is at least one order of magnitude more expensive. Consequently, the present work aims to propose a variety of approaches meant to solve some of the major problems linked to RANS simulations and to further improve its accuracy in typical urban contexts. All of these models are capable of switching from an undisturbed flux formulation to a disturbed one through a local deviation or a marker function. For undisturbed flows, a comprehensive approach is adopted, solving the issue of the erroneous stream-wise gradients affecting the turbulent profiles. Around obstacles, Non-Linear Eddy-Viscosity closures are adopted, due to their prominent capability in capturing the anisotropy of turbulence. The purpose of this work is then to propose a new Building Influence Area concept and to offer more affordable alternatives to LES simulations without sacrificing a good grade of accuracy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos (up) 000405766600013 Publication Date 2017-05-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-6105 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.049 Times cited 9 Open Access Not_Open_Access  
  Notes ; ; Approved Most recent IF: 2.049  
  Call Number UA @ lucian @ c:irua:145191 Serial 4713  
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Author Smolin, S.Y.; Choquette, A.K.; Wilks, R.G.; Gauquelin, N.; Félix, R.; Gerlach, D.; Ueda, S.; Krick, A.L.; Verbeeck, J.; Bär, M.; Baxter, J.B.; May, S.J. pdf  doi
openurl 
  Title Energy Level Alignment and Cation Charge States at the LaFeO3/LaMnO3(001) Heterointerface Type A1 Journal article
  Year 2017 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces  
  Volume 4 Issue 4 Pages 1700183  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The electronic properties of LaFeO 3 /LaMnO 3 epitaxial heterojunctions are investigated to determine the valence and conduction band offsets and the nominal Mn and Fe valence states at the interface. Studying a systematic series of (LaFeO 3 ) n /(LaMnO 3 ) m bilayers (m ≈ 50) epitaxially grown in the (001) orientation using molecular beam epitaxy, layer-resolved electron energy loss spectroscopy reveals a lack of significant interfacial charge transfer, with a nominal 3+ valence state observed for both Mn and Fe across the interface. Through a combination of variable angle spectroscopic ellipsometry and hard X-ray photoelectron spectroscopy, type I energy level alignments are obtained at the LaFeO 3 /LaMnO 3 interface with positive valence and conduction band offsets of (1.20 ± 0.07) eV and (0.5–0.7 ± 0.3) eV, respectively, with minimal band bending. Variable temperature resistivity measurements reveal that the bilayers remain insulating and that the presence of the heterojunction does not result in a conducting interface.  
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  Language Wos (up) 000406068400011 Publication Date 2017-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2196-7350 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.279 Times cited 14 Open Access Not_Open_Access  
  Notes The authors thank Dmytro Nykypanchuk for assistance with the near- infrared ellipsometry measurement of the LaMnO 3 film. S.Y.S., A.K.C., J.B.B, and S.J.M. acknowledge funding from the National Science Foundation under grant number ECCS-1201957. S.Y.S. acknowledges additional funding from the German Academic Exchange Service (DAAD) through the Research Internships in Science and Engineering (RISE) professional program 2015 ID 5708457. A.L.K. was funded by the National Science Foundation under grant number DMR-1151649. J.V. and N.G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp and from the FWO project G.0044.13N (Charge ordering). The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. Ellipsometry measurements of the LaMnO 3 film were carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-ACO2-98CH10886. S.U. would like to thank the staff of HiSOR, Hiroshima University, and JAEA/Spring-8 for the development of HAXPES at BL15XU of SPring-8. The HAXPES measurements were performed with approval of NIMS Synchrotron X-ray Station (Proposal No. 2015B4601), and were partly supported by the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan. The authors also thank HZB for the allocation of synchrotron radiation beamtime for HAXPES/XANES measurements. R.G.W., R.F, and M.B. are grateful to the Impuls- und Vernetzungsfonds of the Helmholtz Association (VH-NG-423).; National Science Foundation, ECCS-1201957 DMR-1151649 ; Deutscher Akademischer Austauschdienst, 2015 ID 5708457 ; GOA project; Fonds Wetenschappelijk Onderzoek, G.0044.13N ; Flemish Government; U.S. Department of Energy, DE-ACO2-98CH10886 ; Vernetzungsfonds of the Helmholtz Association, VH-NG-423 ; Approved Most recent IF: 4.279  
  Call Number EMAT @ emat @ c:irua:142346UA @ admin @ c:irua:142346 Serial 4553  
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Author Bliokh, K.Y.; Ivanov, I.P.; Guzzinati, G.; Clark, L.; Van Boxem, R.; Béché, A.; Juchtmans, R.; Alonso, M.A.; Schattschneider, P.; Nori, F.; Verbeeck, J. url  doi
openurl 
  Title Theory and applications of free-electron vortex states Type A1 Journal article
  Year 2017 Publication Physics reports Abbreviated Journal Phys Rep  
  Volume 690 Issue 690 Pages 1-70  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Both classical and quantum waves can form vortices: with helical phase fronts and azimuthal current densities. These features determine the intrinsic orbital angular momentum carried by localized vortex states. In the past 25 years, optical vortex beams have become an inherent part of modern optics, with many remarkable achievements and applications. In the past decade, it has been realized and demonstrated that such vortex beams or wavepackets can also appear in free electron waves, in particular, in electron microscopy. Interest in free-electron vortex states quickly spread over different areas of physics: from basic aspects of quantum mechanics, via applications for fine probing of matter (including individual atoms), to high-energy particle collision and radiation processes. Here we provide a comprehensive review of theoretical and experimental studies in this emerging field of research. We describe the main properties of electron vortex states, experimental achievements and possible applications within transmission electron microscopy, as well as the possible role of vortex electrons in relativistic and high-energy processes. We aim to provide a balanced description including a pedagogical introduction, solid theoretical basis, and a wide range of practical details. Special attention is paid to translate theoretical insights into suggestions for future experiments, in electron microscopy and beyond, in any situation where free electrons occur.  
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  Language Wos (up) 000406169900001 Publication Date 2017-05-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0370-1573 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 17.425 Times cited 210 Open Access OpenAccess  
  Notes AFOSR, FA9550-14-1-0040 ; CREST, JPMJCR1676 ; Portuguese Fundação para a Ciência e a Tecnologia (FCT), IF/00989/2014/CP1214/CT0004 ; Austrian Science Fund, I543-N20 ; ERC, 278510 VORTEX ; We acknowledge discussions with Mark R. Dennis and Andrei Afanasev. This work was supported by the RIKEN Interdisciplinary Theoretical Science Research Group (iTHES) Project, the Multi-University Research Initiative (MURI) Center for Dynamic Magneto-Optics via the Air Force Office of Scientific Research (AFOSR) (Grant No. FA9550-14-1-0040), Grant-in-Aid for Scientific Research (A), Core Research for Evolutionary Science and Technology (CREST), the John Templeton Foundation, the Australian Research Council, the Portuguese Funda¸c˜ao para a Ciˆencia e a Tecnologia (FCT) (contract IF/00989/2014/CP1214/CT0004 under the IF2014 Program), contracts UID/FIS/00777/2013 and CERN/FIS-NUC/0010/2015 (partially funded through POCTI, COMPETE, QREN, and the European Union), Austrian Science Fund Grant No. I543-N20, the European Research Council under the 7th Framework Program (FP7) (ERC Starting Grant No. 278510 VORTEX), and FWO PhD Fellowship grants (Aspirant Fonds Wetenschappelijk OnderzoekVlaanderen). Approved Most recent IF: 17.425  
  Call Number EMAT @ emat @ c:irua:143262 Serial 4574  
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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. url  doi
openurl 
  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 (up) 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  
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Author Tang, Y.; Sena, R.P.; Aydeev, M.; Battle, P.D.; Cadogan, J.M.; Hadermann, J.; Hunter, E.C. url  doi
openurl 
  Title Magnetic properties of the 6H perovskite Ba3Fe2TeO9 Type A1 Journal article
  Year 2017 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 253 Issue Pages 347-354  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A polycrystalline sample of Ba3Fe2TeO9 having the 6H perovskite structure has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. Partial ordering of Fe3+ and Te6+ cations occurs over the six-coordinate sites; the corner-sharing octahedra are predominantly occupied by the former and the face-sharing octahedra by a 1:1 mixture of the two. On cooling through the temperature range 18 < T/K < 295 an increasing number of spins join an antiferromagnetic backbone running through the structure while the remainder show complex relaxation effects. At 3 K an antiferromagnetic phase and a spin glass coexist.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos (up) 000406572600047 Publication Date 2017-06-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.299 Times cited 6 Open Access OpenAccess  
  Notes ; We thank EPSRC for financial support through grant EP/M018954/1. ; Approved Most recent IF: 2.299  
  Call Number UA @ lucian @ c:irua:145692 Serial 4743  
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Author Sathiya, M.; Thomas, J.; Batuk, D.; Pimenta, V.; Gopalan, R.; Tarascon, J.-M. pdf  doi
openurl 
  Title Dual stabilization and sacrificial effect of Na2CO3 for increasing capacities of Na-Ion cells based on P2-NaxMO2 electrodes Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 29 Issue 14 Pages 5948-5956  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Sodium ion battery technology is gradually advancing and can be viewed as a viable alternative to lithium ion batteries in niche applications. One of the promising positive electrode candidates is P2 type layered sodium transition metal oxide, which offers attractive sodium ion conductivity. However, the reversible capacity of P2 phases is limited by the inability to directly synthesize stoichiometric compounds with a sodium to transition metal ratio equal to 1. To alleviate this issue, we report herein the in situ synthesis of P2-NaxO2 (x <= 0.7, M = transition metal ions)-Na2CO3 composites. We find that sodium carbonate acts as a sacrificial salt, providing Na+ ion to increase the reversible capacity of the P2 phase in sodium ion full cells, and also as a useful additive that stabilizes the formation of P2 over competing P3 phases. We offer a new phase diagram for tuning the synthesis of the P2 phase under various experimental conditions and demonstrate, by in situ XRD analysis, the role of Na2CO3 as a sodium reservoir in full sodium ion cells. These results provide insights into the practical use of P2 layered materials and can be extended to a variety of other layered phases.  
  Address  
  Corporate Author Thesis  
  Publisher American Chemical Society Place of Publication Washington, D.C Editor  
  Language Wos (up) 000406573200026 Publication Date 2017-07-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 26 Open Access Not_Open_Access  
  Notes ; M.S., J.T., and R.G. acknowledge the financial support received from the Department of Science and Technology (DST-SERC), Government of India under the funding from the TRC Grant Agreement No. AI/1/65/ARCI/2014. The authors are thankful to Dr. Sundararajan, Chairman, TRC and Dr. G. Padmanabham, Director, ARCI for helpful discussions. Initial microscopy analysis by Dr. M. B. Sahana, Dr. Prabu, and Mr. Ravi Gautham of ARCI are greatly acknowledged. The elemental analysis by Dr. Domitille Giaume, IRCP – ENSCP, Chimie Paris Tech, Paris is greatly acknowledged. ; Approved Most recent IF: 9.466  
  Call Number UA @ lucian @ c:irua:145759 Serial 4740  
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Author Zhou, Y.; Ramaneti, R.; Anaya, J.; Korneychuk, S.; Derluyn, J.; Sun, H.; Pomeroy, J.; Verbeeck, J.; Haenen, K.; Kuball, M. doi  openurl
  Title Thermal characterization of polycrystalline diamond thin film heat spreaders grown on GaN HEMTs Type A1 Journal article
  Year 2017 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 111 Issue 4 Pages 041901  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Polycrystalline diamond (PCD) was grown onto high-k dielectric passivated AlGaN/GaN-on-Si high electron mobility transistor (HEMT) structures, with film thicknesses ranging from 155 to 1000 nm. Transient thermoreflectance results were combined with device thermal simulations to investigate the heat spreading benefit of the diamond layer. The observed thermal conductivity (k(Dia)) of PCD films is one-to-two orders of magnitude lower than that of bulk PCD and exhibits a strong layer thickness dependence, which is attributed to the grain size evolution. The films exhibit a weak temperature dependence of k(Dia) in the measured 25-225 degrees C range. Device simulation using the experimental jDia and thermal boundary resistance values predicts at best a 15% reduction in peak temperature when the source-drain opening of a passivated AlGaN/GaN-on-Si HEMT is overgrown with PCD. Published by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos (up) 000406779700008 Publication Date 2017-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 78 Open Access Not_Open_Access  
  Notes ; The authors are grateful to Professor Michael Uren and Dr. Roland B. Simon (University of Bristol) for helpful discussions and to Dr. Sien Drijkoningen (Hasselt University) for taking the SEM micrographs. This work was in part supported by DARPA under Contract No. FA8650-15-C-7517, monitored by Dr. Avram Bar Cohen and Dr. John Blevins, and supported by Dr. Joseph Maurer and Dr. Abirami Sivananthan. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of DARPA. Y.Z. acknowledges China Scholarship Council for the financial support. S.K. and J.V. acknowledge the FWO-Vlaanderen for financial support under contract G.0044.13N “Charge ordering.” ; Approved Most recent IF: 3.411  
  Call Number UA @ lucian @ c:irua:145203 Serial 4728  
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Author Drijkoningen, S.; Pobedinskas, P.; Korneychuk, S.; Momot, A.; Balasubramaniam, Y.; Van Bael, M.K.; Turner, S.; Verbeeck, J.; Nesladekt, M.; Haenen, K. doi  openurl
  Title On the Origin of Diamond Plates Deposited at Low Temperature Type A1 Journal article
  Year 2017 Publication Crystal growth & design Abbreviated Journal Cryst Growth Des  
  Volume 17 Issue 8 Pages 4306-4314  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The crucial requirement for diamond growth at low temperatures, enabling a wide range of new applications, is a high plasma density at a low gas pressure, which leads to a low thermal load onto sensitive substrate materials. While these conditions are not within reach for resonance cavity plasma systems, linear antenna microwave delivery systems allow the deposition of high quality diamond films at temperatures around 400 degrees C and at pressures below 1 mbar. In this work the codeposition of high quality plates and octahedral diamond grains in nanocrystalline films is reported. In contrast to previous reports claiming the need for high temperatures (T >= 850 degrees C), low temperatures (320 degrees C <= T <= 410 degrees C) were sufficient to deposit diamond plate structures. Cross-sectional high resolution transmission electron microscopy studies show that these plates are faulty cubic diamond terminated by large {111} surface facets with very little sp(2) bonded carbon in the grain boundaries. Raman and electron energy loss spectroscopy studies confirm a high diamond quality, above 93% sp(3) carbon content. Three potential mechanisms, that can account for the initial development of the observed plates rich with stacking faults, and are based on the presence of impurities, are proposed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000407089600031 Publication Date 2017-06-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1528-7483 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.055 Times cited 23 Open Access Not_Open_Access  
  Notes ; The Research Foundation – Flanders (FWO) is gratefully acknowledged for financial support in the form of the Postdoctoral Fellowships of P.P. and S.T., contract G.0044.13N “Charge ordering” (S.K., J.V.), the Methusalem “Nano” network, and the Hercules-linear antenna and Raman equipment. ; Approved Most recent IF: 4.055  
  Call Number UA @ lucian @ c:irua:145735UA @ admin @ c:irua:145735 Serial 4746  
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Author Esquivel, D.; Ouwehand, J.; Meledina, M.; Turner, S.; Tendeloo, G.V.; Romero-Salguero, F.J.; Clercq, J.D.; Voort, P.V.D. pdf  url
doi  openurl
  Title Thiol-ethylene bridged PMO: A high capacity regenerable mercury adsorbent via intrapore mercury thiolate crystal formation Type A1 Journal article
  Year 2017 Publication Journal of hazardous materials Abbreviated Journal J Hazard Mater  
  Volume 339 Issue 339 Pages 368-377  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Highly ordered thiol-ethylene bridged Periodic Mesoporous Organosilicas were synthesized directly from a homemade thiol-functionalized bis-silane precursor. These high surface area materials contain up to 4.3 mmol/g sulfur functions in the walls and can adsorb up to 1183 mg/g mercury ions. Raman spectroscopy reveals the existence of thiol and disulfide moieties. These groups have been evaluated by a combination of Raman spectroscopy, Ellman’s reagent and elemental analysis. The adsorption of mercury ions was evidenced by different techniques, including Raman, XPS and porosimetry, which indicate that thiol groups are highly accessible to mercury. Scanning transmission electron microscopy combined with EDX showed an even homogenous distribution of the sulfur atoms throughout the structure, and have revealed for the first time that a fraction of the adsorbed mercury is forming thiolate nanocrystals in the pores. The adsorbent is highly selective for mercury and can be regenerated and reused multiple times, maintaining its structure and functionalities and showing only a marginal loss of adsorption capacity after several runs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000407188200040 Publication Date 2017-06-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3894 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.065 Times cited 12 Open Access OpenAccess  
  Notes D.E. thanks the F.W.O. Flanders (Fund Scientific Research) for a postdoctoral grant (3E10813W). J.O. acknowledges also F.W.O. Flanders, research project G006813N, and the research Board of Ghent University, UGent GOA (Concerted Research Actions) (grant 01G00710) for financial support. F. J. R.-S. acknowledges funding of this research by the Spanish Ministry of Economy and Competitiveness (Project MAT2013-44463-R), Andalusian Regional Government (FQM-346 group), and Feder Funds. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. Approved Most recent IF: 6.065  
  Call Number EMAT @ emat @ c:irua:144433 Serial 4624  
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Author Yang, C.; Laberty-Robert, C.; Batuk, D.; Cibin, G.; Chadwick, A.V.; Pimenta, V.; Yin, W.; Zhang, L.; Tarascon, J.-M.; Grimaud, A. url  doi
openurl 
  Title Phosphate ion functionalization of perovskite surfaces for enhanced oxygen evolution reaction Type A1 Journal article
  Year 2017 Publication The journal of physical chemistry letters Abbreviated Journal J Phys Chem Lett  
  Volume 8 Issue 15 Pages 3466-3472  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Recent findings revealed that surface oxygen can participate in the oxygen evolution reaction (OER) for the most active catalysts, which eventually triggers a new mechanism for which the deprotonation of surface intermediates limits the OER activity. We propose in this work a “dual strategy” in which tuning the electronic properties of the oxide, such as La1-xSrxCoO3-delta, can be dissociated from the use of surface functionalization with phosphate ion groups (P-i) that enhances the interfacial proton transfer. Results show that the P-i functionalized La0.5Sr0.5CoO3-delta gives rise to a significant enhancement of the OER activity when compared to La0.5Sr0.5Co3-delta and LaCoO3. We further demonstrate that the P-i surface functionalization selectivity enhances the activity when the OER kinetics is limited by the proton transfer. Finally, this work suggests that tuning the catalytic activity by such a “dual approach” may be a new and largely unexplored avenue for the design of novel high-performance catalysts.  
  Address  
  Corporate Author Thesis  
  Publisher American Chemical Society Place of Publication Washington, D.C Editor  
  Language Wos (up) 000407191300003 Publication Date 2017-07-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.353 Times cited 31 Open Access OpenAccess  
  Notes ; C.Y., J.-M.T., D.B., and A.G. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. We acknowledge Diamond Light Source for time awarded to the Energy Materials BAG on Beamline B18, under Proposal sp12559. ; Approved Most recent IF: 9.353  
  Call Number UA @ lucian @ c:irua:145730 Serial 4747  
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