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Author Erni, R.; Abakumov, A.M.; Rossell, M.D.; Batuk, D.; Tsirlin, A.A.; Nénert, G.; Van Tendeloo, G. pdf  doi
openurl 
  Title (up) Nanoscale phase separation in perovskites revisited Type L1 Letter to the editor
  Year 2014 Publication Nature materials Abbreviated Journal Nat Mater  
  Volume 13 Issue 3 Pages 216-217  
  Keywords L1 Letter to the editor; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000331945200002 Publication Date 2014-02-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1476-1122;1476-4660; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 39.737 Times cited 5 Open Access  
  Notes Approved Most recent IF: 39.737; 2014 IF: 36.503  
  Call Number UA @ lucian @ c:irua:114579 Serial 2270  
Permanent link to this record
 

 
Author Frolov, A.S.; Callaert, C.; Batuk, M.; Hadermann, J.; Volykhov, A.A.; Sirotina, A.P.; Amati, M.; Gregoratti, L.; Yashina, L.V. doi  openurl
  Title (up) Nanoscale phase separation in the oxide layer at GeTe (111) surfaces Type A1 Journal article
  Year 2022 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 14 Issue 35 Pages 12918-12927  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract As a semiconductor ferroelectric, GeTe has become a focus of renewed attention due to the recent discovery of giant Rashba splitting. It already has a wide range of applications, from thermoelectricity to data storage. Its stability in ambient air, as well as the structure and properties of an oxide layer, define the processing media for device production and operation. Here, we studied a reaction between the GeTe (111) surface and molecular oxygen for crystals having solely inversion domains. We evaluated the reaction kinetics both ex situ and in situ using NAP XPS. The structure of the oxide layer is extensively discussed, where, according to HAADF-STEM and STEM-EDX, nanoscale phase separation of GeO2 and Te is observed, which is unusual for semiconductors. We believe that such behaviour is closely related to the ferroelectric properties and the domain structure of GeTe.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000847743300001 Publication Date 2022-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6.7 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.7  
  Call Number UA @ admin @ c:irua:190665 Serial 7181  
Permanent link to this record
 

 
Author Vishwakarma, M.; Varandani, D.; Hendrickx, M.; Hadermann, J.; Mehta, B.R. url  doi
openurl 
  Title (up) Nanoscale photovoltage mapping in CZTSe/CuxSe heterostructure by using kelvin probe force microscopy Type A1 Journal article
  Year 2020 Publication Materials Research Express Abbreviated Journal  
  Volume 7 Issue 1 Pages 016418  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In the present work, kelvin probe force microscopy (KPFM) technique has been used to study the CZTSe/CuxSe bilayer interface prepared by multi-step deposition and selenization process of metal precursors. Transmission electron microscopy (TEM) confirmed the bilayer configuration of the CZTSe/CuxSe sample. Two configuration modes (surface mode and junction mode) in KPFM have been employed in order to measure the junction voltage under illumination conditions. The results show that CZTSe/CuxSe has small junction voltage of similar to 21 mV and the presence of CuxSe secondary phase in the CZTSe grain boundaries changes the workfunction of the local grain boundaries region. The negligible photovoltage difference between grain and grain boundaries in photovoltage image indicates that CuxSe phase deteriorates the higher photovoltage at grain boundaries normally observed in CZTSe based device. These results can be important for understanding the role of secondary phases in CZTSe based junction devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000520120900001 Publication Date 2019-12-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes ; Authors acknowledges support provided DST in the forms of InSOL and Indo-Swiss projects. We also acknowledge Joke Hadermann EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Belgium for helping in TEM measurements. M V Manoj Vishwakarma acknowledges IIT Delhi for MHRD fellowship. Prof B R Mehta acknowledges the support of the Schlumberger chair professorship. M V also acknowledges the support of DST-FIST Raman facility. ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:167843 Serial 6567  
Permanent link to this record
 

 
Author Guttmann, P.; Bittencourt, C.; Rehbein, S.; Umek, P.; Ke, X.; Van Tendeloo, G.; Ewels, C.P.; Schneider, G. pdf  doi
openurl 
  Title (up) Nanoscale spectroscopy with polarized X-rays by NEXAFS-TXM Type A1 Journal article
  Year 2012 Publication Nature photonics Abbreviated Journal Nat Photonics  
  Volume 6 Issue 1 Pages 25-29  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Near-edge X-ray absorption spectroscopy (NEXAFS)1 is an essential analytical tool in material science. Combining NEXAFS with scanning transmission X-ray microscopy (STXM) adds spatial resolution and the possibility to study individual nanostructures2, 3. Here, we describe a full-field transmission X-ray microscope (TXM) that generates high-resolution, large-area NEXAFS data with a collection rate two orders of magnitude faster than is possible with STXM. The TXM optical design combines a spectral resolution of E/ΔE = 1 × 104 with a spatial resolution of 25 nm in a field of view of 1520 µm and a data acquisition time of ~1 s. As an example, we present image stacks and polarization-dependent NEXAFS spectra from individual anisotropic sodium and protonated titanate nanoribbons. Our NEXAFS-TXM technique has the advantage that one image stack visualizes a large number of nanostructures and therefore already contains statistical information. This new high-resolution NEXAFS-TXM technique opens the way to advanced nanoscale science studies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000298416200011 Publication Date 2011-11-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1749-4885;1749-4893; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.852 Times cited 76 Open Access  
  Notes Approved Most recent IF: 37.852; 2012 IF: 27.254  
  Call Number UA @ lucian @ c:irua:94198 Serial 2272  
Permanent link to this record
 

 
Author Cautaerts, N. openurl 
  Title (up) Nanoscale study of ageing and irradiation induced precipitates in the DIN 1.4970 alloy Type Doctoral thesis
  Year 2019 Publication Abbreviated Journal  
  Volume Issue Pages 306 p.  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:161997 Serial 5392  
Permanent link to this record
 

 
Author Shanenko, A.A.; Croitoru, M.D.; Peeters, F.M. doi  openurl
  Title (up) Nanoscale superconductivity: nanowires and nanofilms Type A1 Journal article
  Year 2008 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 468 Issue 7/10 Pages 593-598  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000257355300021 Publication Date 2008-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 6 Open Access  
  Notes Approved Most recent IF: 1.404; 2008 IF: 0.740  
  Call Number UA @ lucian @ c:irua:69623 Serial 2273  
Permanent link to this record
 

 
Author Neyts, E.C.; Ostrikov, K.(K.) pdf  url
doi  openurl
  Title (up) Nanoscale thermodynamic aspects of plasma catalysis Type A1 Journal article
  Year 2015 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 256 Issue 256 Pages 23-28  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma catalysis continues to gain increasing scientific interest, both in established fields like toxic waste abatement and emerging fields like greenhouse gas conversion into value-added chemicals. Attention is typically focused on the obtained conversion process selectivity, rates and energy efficiency. Much less attention is usually paid to the underlying mechanistic aspects of the processes that occur. In this contribution, we critically examine a number of fundamentally important nanoscale thermodynamic aspects of plasma catalysis, which are very relevant to these processes but so far have been overlooked or insufficiently covered in the plasma catalysis literature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000360085300004 Publication Date 2015-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 14 Open Access  
  Notes Approved Most recent IF: 4.636; 2015 IF: 3.893  
  Call Number c:irua:127409 Serial 2274  
Permanent link to this record
 

 
Author Bogaerts, A.; Chen, Z. doi  openurl
  Title (up) Nanosecond laser ablation of Cu: modeling of the expansion in He background gas, and comparison with expansion in vacuum Type A1 Journal article
  Year 2004 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 19 Issue Pages 1169-1176  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000223738000015 Publication Date 2004-09-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 39 Open Access  
  Notes Approved Most recent IF: 3.379; 2004 IF: 3.926  
  Call Number UA @ lucian @ c:irua:47649 Serial 2275  
Permanent link to this record
 

 
Author Heijkers, S.; Martini, L.M.; Dilecce, G.; Tosi, P.; Bogaerts, A. pdf  url
doi  openurl
  Title (up) Nanosecond Pulsed Discharge for CO2Conversion: Kinetic Modeling To Elucidate the Chemistry and Improve the Performance Type A1 Journal article
  Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 123 Issue 19 Pages 12104-12116  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We study the mechanisms of CO2 conversion in a nanosecond repetitively pulsed (NRP) discharge, by means of a chemical kinetics model. The calculated conversions and energy efficiencies are in reasonable agreement with experimental results over a wide range of specific energy input values, and the same applies to the evolution of gas temperature and CO2 conversion as a function of time in the afterglow, indicating that our model provides a realistic picture of the underlying mechanisms in the NRP discharge and can be used to identify its limitations and thus to suggest further improvements. Our model predicts that vibrational excitation is very important in the NRP discharge, explaining why this type of plasma yields energy-efficient CO2 conversion. A significant part of the CO2 dissociation occurs by electronic excitation from the lower vibrational levels toward repulsive electronic states, thus resulting in dissociation. However, vibration−translation (VT) relaxation (depopulating the higher vibrational levels) and CO + O recombination (CO + O + M → CO2 + M), as well as mixing of the converted gas with fresh gas entering the plasma in between the pulses, are limiting factors for the conversion and energy efficiency. Our model predicts that extra cooling, slowing down the rate of VT relaxation and of the above recombination reaction, thus enhancing the contribution of the highest vibrational levels to the overall CO2 dissociation, can further improve the performance of the NRP discharge for energy-efficient CO2 conversion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000468368800009 Publication Date 2019-05-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 4 Open Access Not_Open_Access: Available from 26.04.2020  
  Notes Fonds Wetenschappelijk Onderzoek, G.0383.16N ; The authors acknowledge financial support from the Fund for Scientific Research, Flanders (FWO; Grant no. G.0383.16N). Approved Most recent IF: 4.536  
  Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:159976 Serial 5174  
Permanent link to this record
 

 
Author Lin, A.; Truong, B.; Patel, S.; Kaushik, N.; Choi, E.H.; Fridman, G.; Fridman, A.; Miller, V. url  doi
openurl 
  Title (up) Nanosecond-pulsed DBD plasma-generated reactive oxygen species trigger immunogenic cell death in A549 lung carcinoma cells through intracellular oxidative stress Type A1 Journal article
  Year 2017 Publication International journal of molecular sciences Abbreviated Journal  
  Volume 18 Issue 5 Pages 966  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A novel application for non-thermal plasma is the induction of immunogenic cancer cell death for cancer immunotherapy. Cells undergoing immunogenic death emit danger signals which facilitate anti-tumor immune responses. Although pathways leading to immunogenic cell death are not fully understood; oxidative stress is considered to be part of the underlying mechanism. Here; we studied the interaction between dielectric barrier discharge plasma and cancer cells for oxidative stress-mediated immunogenic cell death. We assessed changes to the intracellular oxidative environment after plasma treatment and correlated it to emission of two danger signals: surface-exposed calreticulin and secreted adenosine triphosphate. Plasma-generated reactive oxygen and charged species were recognized as the major effectors of immunogenic cell death. Chemical attenuators of intracellular reactive oxygen species successfully abrogated oxidative stress following plasma treatment and modulated the emission of surface-exposed calreticulin. Secreted danger signals from cells undergoing immunogenic death enhanced the anti-tumor activity of macrophages. This study demonstrated that plasma triggers immunogenic cell death through oxidative stress pathways and highlights its potential development for cancer immunotherapy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000404113900073 Publication Date 2017-05-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1422-0067; 1661-6596 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:155654 Serial 8292  
Permanent link to this record
 

 
Author Ranieri, P.; Shrivastav, R.; Wang, M.; Lin, A.; Fridman, G.; Fridman, A.A.; Han, L.-H.; Miller, V. pdf  doi
openurl 
  Title (up) Nanosecond-pulsed dielectric barrier dischargeinduced antitumor effects propagate through depth of tissue via intracellular signaling Type A1 Journal article
  Year 2017 Publication Plasma medicine Abbreviated Journal  
  Volume 7 Issue 3 Pages 283-297  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Studies using xenograft mouse models have shown that plasma applied to the skin overlying tumors results in tumor shrinkage. Plasma is considered a nonpenetrating treatment; however, these studies demonstrate plasma effects that occur beyond the postulated depth of physical penetration of plasma components. The present study examines the propagation of plasma effects through a tissue model using three-dimensional, cell-laden extracellular matrices (ECMs). These ECMs are used as barriers against direct plasma penetration. By placing them onto a monolayer of target cancer cells to create an in-vitro analog to in-vivo studies, we distinguished between cellular effects from direct plasma exposure and cellular effects due to cell-to-cell signaling stimulated by plasma. We show that nanosecond-pulsed dielectric barrier discharge plasma treatment applied atop an acellular barrier impedes the externalization of calreticulin (CRT) in the target cells. In contrast, when a barrier is populated with cells, CRT externalization is restored. Thus, we demonstrate that plasma components stimulate signaling among cells embedded in the barrier to transfer plasma effects to the target cells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2017-09-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:155658 Serial 8293  
Permanent link to this record
 

 
Author Meledin, A. openurl 
  Title (up) Nanostructure of superconducting tapes : a study by electron microscopy Type Doctoral thesis
  Year 2017 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerp Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:141625 Serial 4505  
Permanent link to this record
 

 
Author Callini, E.; Aguey-Zinsou, K.F.; Ahuja, R.; Ares, J.R.; Bals, S.; Biliškov, N.; Chakraborty, S.; Charalambopoulou, G.; Chaudhary, A.L.; Cuevas, F.; Dam, B.; de Jongh, P.; Dornheim, M.; Filinchuk, Y.; Grbović Novaković, J.; Hirscher, M.; Jensen, T.R.; Jensen, P.B.; Novaković, N.; Lai, Q.; Leardini, F.; Gattia, D.M.; Pasquini, L.; Steriotis, T.; Turner, S.; Vegge, T.; Züttel, A.; Montone, A. doi  openurl
  Title (up) Nanostructured materials for solid-state hydrogen storage : a review of the achievement of COST Action MP1103 Type A1 Journal article
  Year 2016 Publication International journal of hydrogen energy T2 – E-MRS Fall Meeting / Symposium C on Hydrogen Storage in Solids -, Materials, Systems and Aplication Trends, SEP 15-18, 2015, Warsaw, POLAND Abbreviated Journal Int J Hydrogen Energ  
  Volume 41 Issue 41 Pages 14404-14428  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated network capable to define new and unexplored ways for Solid State Hydrogen Storage by innovative and interdisciplinary research within the European Research Area. An important number of new compounds have been synthesized: metal hydrides, complex hydrides, metal halide ammines and amidoboranes. Tuning the structure from bulk to thin film, nanoparticles and nanoconfined composites improved the hydrogen sorption properties and opened the perspective to new technological applications. Direct imaging of the hydrogenation reactions and in situ measurements under operando conditions have been carried out in these studies. Computational screening methods allowed the prediction of suitable compounds for hydrogen storage and the modeling of the hydrogen sorption reactions on mono-, bi-, and three-dimensional systems. This manuscript presents a review of the main achievements of this Action. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Pergamon-elsevier science ltd Place of Publication Oxford Editor  
  Language Wos 000381950800051 Publication Date 2016-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0360-3199 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.582 Times cited 89 Open Access Not_Open_Access  
  Notes All the authors greatly thank the COST Action MP1103 for financial support. Approved Most recent IF: 3.582  
  Call Number UA @ lucian @ c:irua:135723 Serial 4307  
Permanent link to this record
 

 
Author Deshmukh, S.; Sankaran, K.J.; Korneychuk, S.; Verbeeck, J.; Mclaughlin, J.; Haenen, K.; Roy, S.S. doi  openurl
  Title (up) Nanostructured nitrogen doped diamond for the detection of toxic metal ions Type A1 Journal article
  Year 2018 Publication Electrochimica acta Abbreviated Journal Electrochim Acta  
  Volume 283 Issue 283 Pages 1871-1878  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract This work demonstrates the applicability of one-dimensional nitrogen-doped diamond nanorods (N-DNRs) for the simultaneous electrochemical (EC) detection of Pb2+ and Cd2+ ions in an electrolyte solution. Well separated voltammetric peaks are observed for Pb2+ and Cd2+ ions using N-DNRs as a working electrode in square wave anodic stripping voltammetry measurements. Moreover, the cyclic voltammetry response of N-DNR electrodes towards the Fe(CN)(6)(/4-)/Fe(CN)(6)(/3-) redox reaction is better as compared to undoped DNR electrodes. This enhancement of EC performance in N-DNR electrodes is accounted by the increased amount of sp(2) bonded nanographitic phases, enhancing the electrical conductivity at the grain boundary (GB) regions. These findings are supported by transmission electron microscopy and electron energy loss spectroscopy studies. Consequently, the GB defect induced N-DNRs exhibit better adsorption of metal ions, which makes such samples promising candidates for next generation EC sensing devices. (C) 2018 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000441077900203 Publication Date 2018-07-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.798 Times cited 22 Open Access  
  Notes Sujit Deshmukh indebted to Shiv Nadar University for providing Ph. D. scholarship. The FEI Quanta SEM and Qu-Ant-EM microscope used for the TEM experiments was partly funded by the Hercules fund from the Flemish Government. S. K. and J. V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. Kamatchi Jothiramalingam Sankaran is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO). Prof. Ken Haenen acknowledges the Methusalem “NANO” network for financial support. Approved Most recent IF: 4.798  
  Call Number UA @ admin @ c:irua:153072 Serial 5366  
Permanent link to this record
 

 
Author Hervieu, M.; Damay, F.; Poienar, M.; Elkaim, E.; Rouquette, J.; Abakumov, A.M.; Van Tendeloo, G.; Maignan, A.; Martin, C. doi  openurl
  Title (up) Nanostructures in LuFe2O4+\delta Type A1 Journal article
  Year 2013 Publication Solid state sciences Abbreviated Journal Solid State Sci  
  Volume 23 Issue Pages 26-34  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A LuFe2O4+delta sample, previously characterized by X-ray synchrotron and neutron diffraction, has been studied by electron microscopy techniques, in order to get a precise description of its micro- and nanostructures at room temperature. The X-ray synchrotron data vs. temperature show that the monoclinic distortion is associated with the charge ordering; this distortion results in elongated twinning domains, which enhance the complexity of the microstructural state at room temperature. The structural modulation associated with oxygen excess is observed in large domains inside a non modulated matrix, in contrast with the modulations associated with the charge ordering of the Fe2+ and Fe3+ species, which are mostly short-range. The investigation of the nature and density of defects in the sample shows that they are nano-scaled, preserving the regularity of the layer stacking mode, and limited to the formation of one- or two-units large stacking faults, associated with gliding mechanisms. Based on these observations, an original description of the LuFe2O4 ferrite structure, through puckered [LuO4](infinity) sandwiching [Fe-2](infinity) layers, is proposed. (C) 2013 Elsevier Masson SAS. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000324156200005 Publication Date 2013-06-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1293-2558; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.811 Times cited 7 Open Access  
  Notes Approved Most recent IF: 1.811; 2013 IF: 1.679  
  Call Number UA @ lucian @ c:irua:111196 Serial 2276  
Permanent link to this record
 

 
Author Goorden, L.; Van Tendeloo, G.; Lenaerts, S.; Deblonde, M.; van Oudheusden, M.; et al. pdf  openurl
  Title (up) Nanotechnologie op de agenda Type Minutes and reports
  Year 2009 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Minutes and reports; Engineering sciences. Technology; Engineering Management (ENM); Society and Environment; Sustainable Energy, Air and Water Technology (DuEL); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher NanoSoc Place of Publication Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:82903 Serial 2278  
Permanent link to this record
 

 
Author Goorden, L.; Van Tendeloo, G.; Lenaerts, S.; Deblonde, M.; et al. pdf  openurl
  Title (up) Nanotechnologie: gewikt en gewogen Type Minutes and reports
  Year 2009 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Minutes and reports; Engineering sciences. Technology; Engineering Management (ENM); Sustainable Energy, Air and Water Technology (DuEL); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher NanoSoc Place of Publication Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:82905 Serial 2277  
Permanent link to this record
 

 
Author Michel, K.H.; Verberck, B.; Nikolaev, A.V. doi  openurl
  Title (up) Nanotube field and one-dimensional fluctuations of C60 molecules in carbon nanotubes Type A1 Journal article
  Year 2005 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B  
  Volume 48 Issue 1 Pages 113-124  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000233998600016 Publication Date 2005-12-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1434-6028;1434-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.461 Times cited 25 Open Access  
  Notes Approved Most recent IF: 1.461; 2005 IF: 1.720  
  Call Number UA @ lucian @ c:irua:56408 Serial 2279  
Permanent link to this record
 

 
Author Verberck, B.; Michel, K.H. url  doi
openurl 
  Title (up) Nanotube field and orientational properties of C70 molecules in carbon nanotubes Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 75 Issue 4 Pages 045419,1-14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The orientation of a C(70) fullerene molecule encapsulated in a single-walled carbon nanotube (SWCNT) depends on the tube radius. First we confirm that chirality effects do not affect the orientation as well by comparing discrete atomistic calculations with the results of a continuous tube approximation for a variety of SWCNTs. The molecular and the tube symmetry are exploited by using symmetry-adapted rotator functions. We accurately determine the optimal molecular orientation as a function of the tube radius; for low (less than or similar to 7 A) and high (greater than or similar to 7.2 A) tube radii, lying and standing molecular orientations are recovered, respectively. In between, we observe a transition regime. In addition, we consider off-axis positions. We perform a one-dimensional liquid description of a chain of on-axis C(70) molecules inside a SWCNT. All results agree well with recent x-ray diffraction experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000243895600128 Publication Date 2007-01-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 23 Open Access  
  Notes Approved Most recent IF: 3.836; 2007 IF: 3.172  
  Call Number UA @ lucian @ c:irua:63752 Serial 2280  
Permanent link to this record
 

 
Author Verberck, B.; Michel, K.H. doi  openurl
  Title (up) Nanotube field of C60 and C70 molecules in carbon nanotubes Type A1 Journal article
  Year 2007 Publication International journal of quantum chemistry Abbreviated Journal Int J Quantum Chem  
  Volume 107 Issue 13 Pages 2294-2319  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000249459800002 Publication Date 2007-02-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.92 Times cited 6 Open Access  
  Notes Approved Most recent IF: 2.92; 2007 IF: 1.368  
  Call Number UA @ lucian @ c:irua:65785 Serial 2282  
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Author Verberck, B.; Michel, K.H. doi  openurl
  Title (up) Nanotube field of C60 molecules in carbon nanotubes: atomistic versus continuous approach Type A1 Journal article
  Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 74 Issue 4 Pages 045421,1-14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000239426800113 Publication Date 2006-07-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 31 Open Access  
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107  
  Call Number UA @ lucian @ c:irua:60090 Serial 2281  
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Author Gorji, S.; Kashiwar, A.; Mantha, L.S.; Kruk, R.; Witte, R.; Marek, P.; Hahn, H.; Kübel, C.; Scherer, T. doi  openurl
  Title (up) Nanowire facilitated transfer of sensitive TEM samples in a FIB Type A1 Journal article
  Year 2020 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 219 Issue Pages 113075  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract We introduce a facile approach to transfer thin films and other mechanically sensitive TEM samples inside a FIB with minimal introduction of stress and bending. The method is making use of a pre-synthetized flexible freestanding Ag nanowire attached to the tip of a typical tungsten micromanipulator inside the FIB. The main advantages of this approach are the significantly reduced stress-induced bending during transfer and attachment of the TEM sample, the very short time required to attach and cut the nanowire, the operation at very low dose and ion current, and only using the e-beam for Pt deposition during the transfer of sensitive TEM samples. This results in a reduced sample preparation time and reduced exposure to the ion beam or e-beam for Pt deposition during the sample preparation and thus also reduced contamination and beam damage. The method was applied to a number of thin films and different TEM samples in order to illustrate the advantageous benefits of the concept. In particular, the technique has been successfully tested for the transfer of a thin film onto a MEMS heating chip for in situ TEM experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2020-07-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record  
  Impact Factor 2.2 Times cited Open Access  
  Notes Approved Most recent IF: 2.2; 2020 IF: 2.843  
  Call Number UA @ admin @ c:irua:183618 Serial 6871  
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Author Peeters, F.M.; Croitoru, M.D.; Shanenko, A.A. doi  openurl
  Title (up) Nanowires and nanofilms: superconductivity in quantum-size regime Type A1 Journal article
  Year 2008 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 468 Issue 4 Pages 326-330  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000254816500017 Publication Date 2007-11-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 3 Open Access  
  Notes Approved Most recent IF: 1.404; 2008 IF: 0.740  
  Call Number UA @ lucian @ c:irua:69621 Serial 2283  
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Author Daems, E.; Moro, G.; Berghmans, H.; Moretto, L.M.; Dewilde, S.; Angelini, A.; Sobott, F.; De Wael, K. pdf  url
doi  openurl
  Title (up) Native mass spectrometry for the design and selection of protein bioreceptors for perfluorinated compounds Type A1 Journal article
  Year 2021 Publication Analyst Abbreviated Journal Analyst  
  Volume 146 Issue 6 Pages 2065-2073  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Biosensing platforms are answering the increasing demand for analytical tools for environmental monitoring of small molecules, such as per- and polyfluoroalkyl substances (PFAS). By transferring toxicological findings in bioreceptor design we can develop innovative pathways for biosensor design. Indeed, toxicological studies provide fundamental information about PFAS-biomolecule complexes that can help evaluate the applicability of the latter as bioreceptors. The toolbox of native mass spectrometry (MS) can support this evaluation, as shown by the two case studies reported in this work. The analysis of model proteins’ (i.e. albumin, haemoglobin, cytochrome c and neuroglobin) interactions with well-known PFAS, such as perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS), demonstrated the potential of this native MS screening approach. In the first case study, untreated albumin and delipidated albumin were compared in the presence and absence of PFOA confirming that the delipidation step increases albumin affinity for PFOA without affecting protein stability. In the second case study, the applicability of our methodology to identify potential bioreceptors for PFOS/PFOA was extended to other proteins. Structurally related haemoglobin and neuroglobin revealed a 1 : 1 complex, whereas no binding was observed for cytochrome c. These studies have value as a proof-of-concept for a general application of native MS to identify bioreceptors for toxic compounds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000631575100031 Publication Date 2021-01-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2654; 1364-5528 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.885 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.885  
  Call Number UA @ admin @ c:irua:177074 Serial 8294  
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Author Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. pdf  url
doi  openurl
  Title (up) Native point defects in CuIn1-xGaxSe2 : hybrid density functional calculations predict the origin of p- and n-type conductivity Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 16 Issue 40 Pages 22299-22308  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We have performed a first-principles study of the p- and n-type conductivity in CuIn1−xGaxSe2 due to native point defects, based on the HSE06 hybrid functional. Band alignment shows that the band gap becomes larger with x due to the increasing conduction band minimum, rendering it hard to establish n-type conductivity in CuGaSe2. From the defect formation energies, we find that In/GaCu is a shallow donor, while VCu, VIn/Ga and CuIn/Ga act as shallow acceptors. Using the total charge neutrality of ionized defects and intrinsic charge carriers to determine the Fermi level, we show that under In-rich growth conditions InCu causes strongly n-type conductivity in CuInSe2. Under increasingly In-poor growth conditions, the conductivity type in CuInSe2 alters to p-type and compensation of the acceptors by InCu reduces, as also observed in photoluminescence experiments. In CuGaSe2, the native acceptors pin the Fermi level far away from the conduction band minimum, thus inhibiting n-type conductivity. On the other hand, CuGaSe2 shows strong p-type conductivity under a wide range of Ga-poor growth conditions. Maximal p-type conductivity in CuIn1−xGaxSe2 is reached under In/Ga-poor growth conditions, in agreement with charge concentration measurements on samples with In/Ga-poor stoichiometry, and is primarily due to the dominant acceptor CuIn/Ga.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000343072800042 Publication Date 2014-09-05  
  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 43 Open Access  
  Notes ; We gratefully acknowledge financial support from the science fund FWO-Flanders through project G.0150.13. The first-principles calculations have been carried out on the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Centre (VSC), supported financially by the Hercules foundation and the Flemish Government (EWI Department). We also like to thank Prof. S. Siebentritt of the University of Luxembourg for a presentation of her work on GIGS during a visit to our research group and for helpful discussions of our results. ; Approved Most recent IF: 4.123; 2014 IF: 4.493  
  Call Number UA @ lucian @ c:irua:120465 Serial 2284  
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Author Vermeulen, M. openurl 
  Title (up) Natural and amorphous arsenic sulfide pigments : characterization, degradation and influence of the binding medium Type Doctoral thesis
  Year 2017 Publication Abbreviated Journal  
  Volume Issue Pages 258 p.  
  Keywords Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:147218 Serial 8295  
Permanent link to this record
 

 
Author Celik, N.; Čevik, U.; Celik, A.; Koz, B. pdf  doi
openurl 
  Title (up) Natural and artificial radioactivity measurements in Eastern Black Sea region of Turkey Type A1 Journal article
  Year 2009 Publication Journal of hazardous materials Abbreviated Journal  
  Volume 162 Issue 1 Pages 146-153  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract In the present work, naturally occurring radionuclides of (226)Ra, (232)Th and (40)K were measured in soil samples collected from the Eastern Black Sea region of Turkey. It was found that the activity concentrations ranged from 12 to 120 Bq kg(-1) for (226)Ra, from 13 to 121 Bq kg(-1) for (232)Th and from 204 to 1295 Bq kg(-1) for (40)K. Besides naturally occurring radionuclides, (137)Cs activity concentration was measured in soil, lichen and moss samples and it was found that (137)Cs activity concentration ranged from 27 to 775 Bq kg(-1) with for soil, from 29 to 879 Bq kg(-1) for lichen and from 67 to 1396 Bq kg(-1) for moss samples. Annual effective doses due to the naturally occurring radionuclides and (137)CS were estimated. Ecological half-lives of (137)CS in lichen and moss species were estimated. The decrease of the activity concentrations in the present measurements (2007) relative to those in 1993 indicated ecological half-lives between 1.36 and 2.96 years for lichen and between 1.35 and 2.85 years for moss species. (C) 2008 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000263149400019 Publication Date 2008-05-10  
  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 Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:94562 Serial 8296  
Permanent link to this record
 

 
Author Cheng, J.P.; Zhang, X.B.; Ye, Y.; Tao, X.Y.; Liu, F.; Li, Y.; Van Tendeloo, G. openurl 
  Title (up) Natural mineral-marine manganese nodule as a novel catalyst for the synthesis of carbon nanotubes Type A1 Journal article
  Year 2006 Publication Journal of Wuhan University of Technology: materials science edition Abbreviated Journal  
  Volume 21 Issue 1 Pages 29-31  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:57740 Serial 2286  
Permanent link to this record
 

 
Author Meyer, H.W.; Bismayer, U.; Adiwidjaja, G.; Zhang, M.; Nistor, L.; Van Tendeloo, G. pdf  doi
openurl 
  Title (up) Natural titanite and malayite: structural investigations and the 500K anomaly Type A1 Journal article
  Year 1998 Publication Phase transitions Abbreviated Journal Phase Transit  
  Volume 67 Issue Pages 27-49  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos 000079806000003 Publication Date 2007-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0141-1594;1029-0338; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.06 Times cited 9 Open Access  
  Notes ) Approved Most recent IF: 1.06; 1998 IF: 0.551  
  Call Number UA @ lucian @ c:irua:25683 Serial 2287  
Permanent link to this record
 

 
Author Shi, W.; Callewaert, V.; Barbiellini, B.; Saniz, R.; Butterling, M.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R. W.; Brück, E.; Partoens, B.; Bansil, A.; Eijt, S.W. H. pdf  url
doi  openurl
  Title (up) Nature of the Positron State in CdSe Quantum Dots Type A1 Journal article
  Year 2018 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 121 Issue 5 Pages 057401  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Previous studies have shown that positron-annihilation spectroscopy is a highly sensitive probe of the electronic structure and surface composition of ligand-capped semiconductor quantum dots (QDs) embedded in thin films. The nature of the associated positron state, however, whether the positron is confined inside the QDs or localized at their surfaces, has so far remained unresolved. Our positron-annihilation lifetime spectroscopy studies of CdSe QDs reveal the presence of a strong lifetime component in the narrow range of 358–371 ps, indicating abundant trapping and annihilation of positrons at the surfaces of the QDs. Furthermore, our ab initio calculations of the positron wave function and lifetime employing a recent formulation of the weighted density approximation demonstrate the presence of a positron surface state and predict positron lifetimes close to experimental values. Our study thus resolves the long-standing question regarding the nature of the positron state in semiconductor QDs and opens the way to extract quantitative information on surface composition and ligand-surface interactions of colloidal semiconductor QDs through highly sensitive positron-annihilation techniques.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000440635300012 Publication Date 2018-08-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 6 Open Access  
  Notes The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W. S. We acknowledge financial support for this research from ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands. The PALS study is based upon experiments performed at the PLEPS instrument of the NEPOMUC facility at the Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany, and was supported by the European Commission under the 7th Framework Program, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at the University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. V. C. and R. S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. Computational resources and services used in this work were in part provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government (EWI Department). The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the National Energy Research Scientific Computing Center (NERSC) through DOE Grant No. DE-AC02-05CH11231, and support (functionals for modeling positron spectros- copies of layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. Approved Most recent IF: 8.462  
  Call Number CMT @ cmt @c:irua:152999UA @ admin @ c:irua:152999 Serial 5009  
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