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Author Zhang, X.B.; Vasiliev, A.L.; Van Tendeloo, G.; He, Y.; Yu, L.-M.; Thiry, P.A. doi  openurl
  Title EM, XPS and LEED study of deposition of Ag on hydrogenated Si substrate prepared by wet chemical treatments Type A1 Journal article
  Year 1995 Publication (up) Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci  
  Volume 340 Issue Pages 317-327  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1995TA17600013 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.925 Times cited 11 Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:13319 Serial 1032  
Permanent link to this record
 

 
Author Goessens, C.; Schryvers, D.; van Landuyt, J.; Amelinckx, S.; de Keyzer, R. doi  openurl
  Title Long period surface ordering of iodine ions in mixed tabular AgBr-AgBrI microcrystals Type A1 Journal article
  Year 1995 Publication (up) Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci  
  Volume 337 Issue Pages 153-165  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1995RQ74900024 Publication Date 2003-05-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.925 Times cited 10 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:13162 Serial 1836  
Permanent link to this record
 

 
Author Vladimirova, N.V.; Frolov, A.S.; Sanchez-Barriga, J.; Clark, O.J.; Matsui, F.; Usachov, D.Y.; Muntwiler, M.; Callaert, C.; Hadermann, J.; Neudachina, V.S.; Tamm, M.E.; Yashina, L.V. pdf  url
doi  openurl
  Title Occupancy of lattice positions probed by X-ray photoelectron diffraction : a case study of tetradymite topological insulators Type A1 Journal article
  Year 2023 Publication (up) Surfaces and interfaces Abbreviated Journal  
  Volume 36 Issue Pages 102516-10  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Occupancy of different structural positions in a crystal lattice often seems to play a key role in material prop-erties. Several experimental techniques have been developed to uncover this issue, all of them being mostly bulk sensitive. However, many materials including topological insulators (TIs), which are among the most intriguing modern materials, are intended to be used in devices as thin films, for which the sublattice occupancy may differ from the bulk. One of the possible approaches to occupancy analysis is X-ray Photoelectron Diffraction (XPD), a structural method in surface science with chemical sensitivity. We applied this method in a case study of Sb2(Te1-xSex)3 mixed crystals, which belong to prototypical TIs. We used high-angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) as a reference method to verify our analysis. We revealed that the XPD data for vacuum cleaved bulk crystals are in excellent agreement with the reference ones. Also, we demonstrate that the anion occupancy near a naturally formed surface can be rather different from that of the bulk. The present results are relevant for a wide range of compositions where the system remains a topological phase, as we ultimately show by probing the transiently occupied topological surface state above the Fermi level by ultrafast photoemission.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000901694900001 Publication Date 2022-11-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2468-0230 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6.2 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 6.2; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:193502 Serial 7327  
Permanent link to this record
 

 
Author Vermang, B.; Brammertz, G.; Meuris, M.; Schnabel, T.; Ahlswede, E.; Choubrac, L.; Harel, S.; Cardinaud, C.; Arzel, L.; Barreau, N.; van Deelen, J.; Bolt, P.-J.; Bras, P.; Ren, Y.; Jaremalm, E.; Khelifi, S.; Yang, S.; Lauwaert, J.; Batuk, M.; Hadermann, J.; Kozina, X.; Handick, E.; Hartmann, C.; Gerlach, D.; Matsuda, A.; Ueda, S.; Chikyow, T.; Felix, R.; Zhang, Y.; Wilks, R.G.; Baer, M. pdf  doi
openurl 
  Title Wide band gap kesterite absorbers for thin film solar cells: potential and challenges for their deployment in tandem devices Type A1 Journal article
  Year 2019 Publication (up) Sustainable Energy & Fuels Abbreviated Journal  
  Volume 3 Issue 9 Pages 2246-2259  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract This work reports on developments in the field of wide band gap Cu2ZnXY4 (with X = Sn, Si or Ge, and Y = S, Se) kesterite thin film solar cells. An overview on recent developments and the current understanding of wide band gap kesterite absorber layers, alternative buffer layers, and suitable transparent back contacts is presented. Cu2ZnGe(S,Se)(4) absorbers with absorber band gaps up to 1.7 eV have been successfully developed and integrated into solar cells. Combining a CdS buffer layer prepared by an optimized chemical bath deposition process with a 1.36 eV band gap absorber resulted in a record Cu2ZnGeSe4 cell efficiency of 7.6%, while the highest open-circuit voltage of 730 mV could be obtained for a 1.54 eV band gap absorber and a Zn(O,S) buffer layer. Employing InZnOx or TiO2 protective top layers on SnO2:In transparent back contacts yields 85-90% of the solar cell performance of reference cells (with Mo back contact). These advances show the potential as well as the challenges of wide band gap kesterites for future applications in high-efficiency and low-cost tandem photovoltaic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000482057500004 Publication Date 2019-06-14  
  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 2 Open Access  
  Notes ; This project has received funding from the European Union's Horizon 2020 Research and Innovation Program under grant agreement No. 640868. The synchrotron radiation experiments were performed at the SPring-8 beamline BL15XU with the approval of the NIMS Synchrotron X-ray Station (Proposals 2016A4600, 2016B4601, and 2017A4600) and at BESSY II with the approval of HZB. B. Vermang has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 Research and Innovation Programme (grant agreement no. 715027). ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:161785 Serial 5404  
Permanent link to this record
 

 
Author Daems, N.; De Mot, B.; Choukroun, D.; Van Daele, K.; Li, C.; Hubin, A.; Bals, S.; Hereijgers, J.; Breugelmans, T. url  doi
openurl 
  Title Nickel-containing N-doped carbon as effective electrocatalysts for the reduction of CO2 to CO in a continuous-flow electrolyzer Type A1 Journal article
  Year 2019 Publication (up) Sustainable energy & fuels Abbreviated Journal  
  Volume 4 Issue 4 Pages 1296-1311  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract Nickel-containing N-doped carbons were synthesized for the electrochemical reduction of CO2 to CO, which is a promising approach to reduce the atmospheric CO2 levels and its negative impact on the environment. Unfortunately, poor performance (activity, selectivity and/or stability) is still a major hurdle for the economical implementation of this type of materials. The electrocatalysts were prepared through an easily up-scalable and easily tunable method based on the pyrolysis of Ni-containing N-doped carbons. Ni–N–AC–B1 synthesized with a high relative amount of nitrogen and nickel with respect to carbon, was identified as the most promising candidate for this reaction based on its partial CO current density (4.2 mA cm−2), its overpotential (0.57 V) and its faradaic efficiency to CO (>99%). This results in unprecedented values for the current density per g active sites (690 A g−1 active sites). Combined with its decent stability and its high performance in an actual electrolyzer setup, this makes it a promising candidate for the electrochemical reduction of CO2 to CO on a larger scale. Finally, the evaluation of this kind of material in a flow-cell setup has been limited and to the best of our knowledge never included an evaluation of several crucial parameters (e.g. electrolyte type, anode composition and membrane type) and is an essential investigation in the move towards up-scaling and ultimately industrial application of this technique. This study resulted in an optimal cell configuration, consisting of Pt as an anode, Fumatech® as the membrane and 1 M KHCO3 and 2 M KOH as catholyte and anolyte, respectively. In conclusion, this research offers a unique combination of electrocatalyst development and reactor optimization.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000518690900030 Publication Date 2019-12-20  
  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 14 Open Access OpenAccess  
  Notes ; The authors acknowledge sponsoring from the research foundation of Flanders (FWO) in the frame of a post-doctoral grant (12Y3919N – ND). J. Hereijgers was supported through a postdoctoral fellowship (28761) of the Research Foundation Flanders (FWO). This project was co-funded by the Interreg 2 Seas-Program 2014-2020, co-.nanced by the European Fund for Regional Development in the frame of subsidiary contract nr 2S03-019. This work was further performed in the framework of the Catalisti cluster SBO project CO2PERATE (“All renewable CCU based on formic acid integrated in an industrial microgrid”), with the.nancial support of VLAIO (Flemish Agency for Innovation and Entrepreneurship). This project.nally received funding from the European Research Council (ERC Consolidator Grant 815128, REALNANO). We thank Karen Leyssens for helping with the N<INF>2</INF> physisorption measurements and Kitty Baert (VUB) for analyzing the samples with XPS and Raman. ; sygma Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:165482 Serial 6311  
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Author Quintelier, M.; Perkisas, T.; Poppe, R.; Batuk, M.; Hendrickx, M.; Hadermann, J. url  doi
openurl 
  Title Determination of spinel content in cycled Li1.2Ni0.13Mn0.54Co0.13O2 using three-dimensional electron diffraction and precession electron diffraction Type A1 Journal article
  Year 2021 Publication (up) Symmetry-Basel Abbreviated Journal Symmetry-Basel  
  Volume 13 Issue 11 Pages 1989-17  
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM); Electron microscopy for materials research (EMAT)  
  Abstract Among lithium battery cathode materials, Li1.2Ni0.13Mn0.54Co0.13O2 (LR-NMC) has a high theoretical capacity, but suffers from voltage and capacity fade during cycling. This is partially ascribed to transition metal cation migration, which involves the local transformation of the honeycomb layered structure to spinel-like nano-domains. Determination of the honeycomb layered/spinel phase ratio from powder X-ray diffraction data is hindered by the nanoscale of the functional material and the domains, diverse types of twinning, stacking faults, and the possible presence of the rock salt phase. Determining the phase ratio from transmission electron microscopy imaging can only be done for thin regions near the surfaces of the crystals, and the intense beam that is needed for imaging induces the same transformation to spinel as cycling does. In this article, it is demonstrated that the low electron dose sufficient for electron diffraction allows the collection of data without inducing a phase transformation. Using calculated electron diffraction patterns, we demonstrate that it is possible to determine the volume ratio of the different phases in the particles using a pair-wise comparison of the intensities of the reflections. Using this method, the volume ratio of spinel structure to honeycomb layered structure is determined for a submicron sized crystal from experimental three-dimensional electron diffraction (3D ED) and precession electron diffraction (PED) data. Both twinning and the possible presence of the rock salt phase are taken into account. After 150 charge-discharge cycles, 4% of the volume in LR-NMC particles was transformed irreversibly from the honeycomb layered structure to the spinel structure. The proposed method would be applicable to other multi-phase materials as well.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000815310500001 Publication Date 2021-10-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2073-8994 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.457 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 1.457  
  Call Number UA @ admin @ c:irua:189468 Serial 7080  
Permanent link to this record
 

 
Author Van Tendeloo, G.; Schryvers, D.; Tanner, L.E.; Broddin, D.; Ricolleau, C.; Loiseau, A. openurl 
  Title Structural phase transformations in alloys: an electron microscopy study Type P3 Proceeding
  Year 1991 Publication (up) Symposium on Pahse Transformations Abbreviated Journal  
  Volume Issue Pages 1-10  
  Keywords P3 Proceeding; 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  
  Impact Factor Times cited Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:48350 Serial 3244  
Permanent link to this record
 

 
Author Kirilenko, D.A. pdf  doi
openurl 
  Title Electron diffraction measurement of the binding rigidity of free-standing graphene Type A1 Journal article
  Year 2013 Publication (up) Technical physics letters Abbreviated Journal Tech Phys Lett+  
  Volume 39 Issue 4 Pages 325-328  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A method for measuring the binding rigidity of free-standing graphene from the dependence of the short-wavelength spectral range of transverse structural fluctuations of a crystal is proposed. The fluctuation spectrum is measured according to the variation in electron-diffraction patterns derived in a transmission electron microscope while tilting the sample.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000319162600003 Publication Date 2013-05-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1063-7850;1090-6533; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.771 Times cited 3 Open Access  
  Notes Approved Most recent IF: 0.771; 2013 IF: 0.583  
  Call Number UA @ lucian @ c:irua:109031 Serial 920  
Permanent link to this record
 

 
Author Monot, I.; Tancret, F.; Laffez, P.; Van Tendeloo, G.; Desgardin, G. pdf  doi
openurl 
  Title Microstructure and properties of oxygen controlled melt textured NdBaCuO superconductive ceramics Type A1 Journal article
  Year 1999 Publication (up) Technology Abbreviated Journal Mater Sci Eng B-Adv  
  Volume 65 Issue 1 Pages 26-34  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Nd1+xBa2-xCu3O7-delta (123) bulk superconductors have been synthesised by the oxygen controlled melt growth method. Unlike the YBaCuO system, platinum doping or Nd4Ba2Cu2O10 (422) rich compositions do not refine the peritectic '422' secondary phase, but the latter improves the microstructural quality. Low oxygen partial pressure and high purity precursors are necessary to achieve in a reproducible manner high T-c and J(c) (up to 56 000 A/cm(2) in 0T and 30 000 A/cm(2) under 1.5T). The fishtail effect observed at 77 K is compared with the one observed in the YBCO system, and is discussed in terms of oxygen deficiency, Nd-Ba substitution, defects and vortex lattice. Our TEM observations did not evidence any Nd-Ba substituted clusters in the Nd123 matrix; however, some diffuse streaks, observed in the [100] zone ED pattern, support the fact that the source of the peak effect in this system is mainly due to oxygen disorder and low stability of the orthorhombic phase. (C) 1999 Elsevier Science S.A. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000083432000005 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-5107; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.552 Times cited 5 Open Access  
  Notes Approved Most recent IF: 2.552; 1999 IF: 0.690  
  Call Number UA @ lucian @ c:irua:104286 Serial 2060  
Permanent link to this record
 

 
Author Salje, E.K.H.; Buckley, A.; Van Tendeloo, G.; Ishibashi, Y.; Nord, G.L. openurl 
  Title Needle twins and right-angled twins in minerals: comparison between experiment and theory Type A1 Journal article
  Year 1998 Publication (up) The American mineralogist Abbreviated Journal Am Mineral  
  Volume 83 Issue Pages 811-822  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000074717900013 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-004x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.021 Times cited 43 Open Access  
  Notes Approved Most recent IF: 2.021; 1998 IF: 2.124  
  Call Number UA @ lucian @ c:irua:25675 Serial 2288  
Permanent link to this record
 

 
Author Groat, L.A.; Kek, S.; Bismayer, U.; Schmidt, C.; Krane, H.G.; Meyer, H.; Nistor, L.; Van Tendeloo, G. openurl 
  Title A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman spectroscopic study of malayaite, CaSnSiO5 Type A1 Journal article
  Year 1996 Publication (up) The American mineralogist Abbreviated Journal Am Mineral  
  Volume 81 Issue 5/6 Pages 595-602  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Synchrotron radiation, high-resolution transmission electron microscopy (HRTEM), X-ray powder diffraction, and Raman spectroscopy were used to study the structure and thermal behavior of malayaite, CaSnSiO5. No indications of deviation from A2/a symmetry and no structural transitions were observed between 100 and 870 K. HRTEM revealed that the material is free of domains and antiphase boundaries. However, the lattice constants, cell volume, and Raman-active phonons show a thermal discontinuity near 500 K, which is possibly related to variation of the coordination sphere around the highly anisotropic Ca position.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos A1996UP41100006 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-004x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.964 Times cited 19 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:16862 Serial 3407  
Permanent link to this record
 

 
Author Pittarello, L.; Mckibbin, S.; Yamaguchi, A.; Ji, G.; Schryvers, D.; Debaille, V.; Claeys, P. pdf  doi
openurl 
  Title Two generations of exsolution lamellae in pyroxene from Asuka 09545 : Clues to the thermal evolution of silicates in mesosiderite Type A1 Journal article
  Year 2019 Publication (up) The American mineralogist Abbreviated Journal Am Mineral  
  Volume 104 Issue 11 Pages 1663-1672  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Mesosiderite meteorites consist of a mixture of crustal basaltic or gabbroic material and metal. Their formation process is still debated due to their unexpected combination of crust and core materials, possibly derived from the same planetesimal parent body, and lacking an intervening mantle component. Mesosiderites have experienced an extremely slow cooling rate from ca. 550 degrees C, as recorded in the metal (0.25-0.5 degrees C/Ma). Here we present a detailed investigation of exsolution features in pyroxene from the Antarctic mesosiderite Asuka (A) 09545. Geothermobarometry calculations, lattice parameters, lamellae orientation, and the presence of clinoenstatite as the host were used in an attempt to constrain the evolution of pyroxene from 1150 to 570 degrees C and the formation of two generations of exsolution lamellae. After pigeonite crystallization at ca. 1150 degrees C, the first exsolution process generated the thick augite lamellae along (100) in the temperature interval 1000-900 degrees C. By further cooling, a second order of exsolution lamellae formed within augite along (001), consisting of monoclinic low-Ca pyroxene, equilibrated in the temperature range 900-800 degrees C. The last process, occurring in the 600-500 degrees C temperature range, was likely the inversion of high to low pigeonite in the host crystal, lacking evidence for nucleation of orthopyroxene. The formation of two generations of exsolution lamellae, as well as of likely metastable pigeonite, suggest non-equilibrium conditions. Cooling was sufficiently slow to allow the formation of the lamellae, their preservation, and the transition from high to low pigeonite. In addition, the preservation of such fine-grained lamellae limits long-lasting, impact reheating to a peak temperature lower than 570 degrees C. These features, including the presence of monoclinic low-Ca pyroxene as the host, are reported in only a few mesosiderites. This suggests a possibly different origin and thermal history from most mesosiderites and that the crystallography (i.e., space group) of low-Ca pyroxene could be used as parameter to distinguish mesosiderite populations based on their cooling history.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000494707400014 Publication Date 2019-08-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-004x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.021 Times cited Open Access  
  Notes Approved Most recent IF: 2.021  
  Call Number UA @ admin @ c:irua:164645 Serial 6331  
Permanent link to this record
 

 
Author Brammertz, G.; Buffiere, M.; Verbist, C.; Bekaert, J.; Batuk, M.; Hadermann, J.; et al. openurl 
  Title Process variability in Cu2ZnSnSe4 solar cell devices: Electrical and structural investigations Type P1 Proceeding
  Year 2015 Publication (up) The conference record of the IEEE Photovoltaic Specialists Conference T2 – IEEE 42nd Photovoltaic Specialist Conference (PVSC), JUN 14-19, 2015, New Orleans, LA Abbreviated Journal  
  Volume Issue Pages  
  Keywords P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We have fabricated 9.7% efficient Cu2ZnSnSe4/CdS/ZnO solar cells by H2Se selenization of sequentially sputtered metal layers. Despite the good efficiency obtained, process control appears to be difficult. In the present contribution we compare the electrical and physical properties of two devices with nominal same fabrication procedure, but 1% and 9.7% power conversion efficiency respectively. We identify the problem of the lower performing device to be the segregation of ZnSe phases at the backside of the sample. This ZnSe seems to be the reason for the strong bias dependent photocurrent observed in the lower performing devices, as it adds a potential barrier for carrier collection. The reason for the different behavior of the two nominally same devices is not fully understood, but speculated to be related to sputtering variability.  
  Address  
  Corporate Author Thesis  
  Publisher Ieee Place of Publication New york Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-4799-7944-8 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:132335 Serial 4229  
Permanent link to this record
 

 
Author Monico, L.; Rosi, F.; Vivani, R.; Cartechini, L.; Janssens, K.; Gauquelin, N.; Chezganov, D.; Verbeeck, J.; Cotte, M.; D'Acapito, F.; Barni, L.; Grazia, C.; Buemi, L.P.; Andral, J.-L.; Miliani, C.; Romani, A. url  doi
openurl 
  Title Deeper insights into the photoluminescence properties and (photo)chemical reactivity of cadmium red (CdS1-xSex) paints in renowned twentieth century paintings by state-of-the-art investigations at multiple length scales Type A1 Journal article
  Year 2022 Publication (up) The European Physical Journal Plus Abbreviated Journal Eur Phys J Plus  
  Volume 137 Issue 3 Pages 311  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract Cadmium red is the name used for denoting a class of twentieth century artists' pigments described by the general formula CdS1-xSex. For their vibrant hues and excellent covering power, a number of renowned modern and contemporary painters, including Jackson Pollock, often used cadmium reds. As direct band gap semiconductors, CdS1-xSex compounds undergo direct radiative recombination (with emissions from the green to orange region) and radiative deactivation from intragap trapping states due to crystal defects, which give rise to two peculiar red-NIR emissions, known as deep level emissions (DLEs). The positions of the DLEs mainly depend on the Se content of CdS1-xSex; thus, photoluminescence and diffuse reflectance vis-NIR spectroscopy have been profitably used for the non-invasive identification of different cadmium red varieties in artworks over the last decade. Systematic knowledge is however currently lacking on what are the parameters related to intrinsic crystal defects of CdS1-xSex and environmental factors influencing the spectral properties of DLEs as well as on the overall (photo)chemical reactivity of cadmium reds in paint matrixes. Here, we present the application of a novel multi-length scale and multi-method approach to deepen insights into the photoluminescence properties and (photo)chemical reactivity of cadmium reds in oil paintings by combining both well established and new non-invasive/non-destructive analytical techniques, including macro-scale vis-NIR and vibrational spectroscopies and micro-/nano-scale advanced electron microscopy mapping and X-ray methods employing synchrotron radiation and conventional sources. Macro-scale vis-NIR spectroscopy data obtained from the in situ non-invasive analysis of nine masterpieces by Gerardo Dottori, Jackson Pollock and Nicolas de Stael allowed classifying the CdS1-xSex-paints in three groups, according to the relative intensity of the two DLE bands. These outcomes, combined with results from micro-/nano-scale electron microscopy mapping and X-ray analysis of a set of CdS1-xSex powders and artificially aged paint mock-ups, indicated that the relative intensity of DLEs is not affected by the morphology, microstructure and local atomic environment of the pigment particles but it is influenced by the presence of moisture. Furthermore, the extensive study of artificially aged oil paint mock-ups permitted us to provide first evidence of the tendency of cadmium reds toward photo-degradation and to establish that the conversion of CdS1-xSex to CdSO4 and/or oxalates is triggered by the oil binding medium and moisture level and depends on the Se content. Based on these findings, we could interpret the localized presence of CdSO4 and cadmium oxalate as alteration products of the original cadmium red paints in two paintings by Pollock.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000765807600002 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2190-5444 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.4 Times cited 3 Open Access OpenAccess  
  Notes g The research was financially supported by the EU FP7 and Horizon 2020 Projects CHARISMA (FP7-INFRASTRUCTURES, GA No. 228330), IPERION-CH (H2020-INFRAIA-2014-2015, GA No. 654028), IPERION-HS (H2020-INFRAIA-2019-1, GA No. 871034) and ESTEEM3 (Research and innovation programme, GA No. 823717) and the Italian project AMIS (Dipartimenti di Eccellenza 2018–2022, funded by MIUR and Perugia University). For the beamtime grants received, we thank ESRF-ID21 (Experiment No. HG156 and in-house beamtimes) and the CERIC-ERIC Research Infrastructure for the investigations at ESRF-BM08 (LISA) beamline (Proposal Id: 20207042). D.C. acknowledges TOP/BOF funding of the University of Antwerp.; esteem3reported; esteem3TA Approved Most recent IF: 3.4  
  Call Number UA @ admin @ c:irua:187375 Serial 7060  
Permanent link to this record
 

 
Author Han, Z.; Ni, J.; Smits, P.; Underhill, C.; Xie, B.; Chen, Y.; Liu, N.; Tylzanowski, P.; Parmelee, D.; Feng, P.; Ding, I.; Gao, F.; Gentz, R.; Huylebroeck, D.; Merregaert, J.; Zhang, L. doi  openurl
  Title Extracellular matrix protein 1 (ECM1) has angiogenic properties and is expressed by breast tumor cells Type A1 Journal article
  Year 2001 Publication (up) The FASEB journal Abbreviated Journal  
  Volume 15 Issue Pages 988-994  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bethesda, Md Editor  
  Language Wos 000167959300013 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6860; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 94 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:33805 Serial 1161  
Permanent link to this record
 

 
Author Titantah, J.T.; Pierleoni, C.; Ryckaert, J.-P. pdf  doi
openurl 
  Title Single chain elasticity and thermoelasticity of polyethylene Type A1 Journal article
  Year 2002 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 117 Issue 19 Pages 9028-9036  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Single-chain elasticity of polyethylene at theta point up to 90% of stretching with respect to its contour length is computed by Monte Carlo simulation of an atomistic model in continuous space. The elasticity law together with the free-energy and the internal energy variations with stretching are found to be very well represented by the wormlike chain model up to 65% of the chain elongation, provided the persistence length is treated as a temperature-dependent parameter. Beyond this value of elongation simple ideal chain models are not able to describe the Monte Carlo data in a thermodynamic consistent way. This study reinforces the use of the wormlike chain model to interpret experimental data on the elasticity of synthetic polymers in the finite extensibility regime, provided the chain is not yet in its fully stretched regime. Specific solvent effects on the elasticity law and the partition between energetic and entropic contributions to single chain elasticity are investigated. (C) 2002 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000178934700046 Publication Date 2002-10-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.965 Times cited 5 Open Access  
  Notes Approved Most recent IF: 2.965; 2002 IF: 2.998  
  Call Number UA @ lucian @ c:irua:103862 Serial 3018  
Permanent link to this record
 

 
Author Nikolaev, A.V.; Lamoen, D.; Partoens, B. pdf  url
doi  openurl
  Title Extension of the basis set of linearized augmented plane wave (LAPW) method by using supplemented tight binding basis functions Type A1 Journal article
  Year 2016 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 145 Issue 145 Pages 014101  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract In order to increase the accuracy of the linearized augmented plane wave (LAPW) method, we present a new approach where the plane wave basis function is augmented by two different atomic radial components constructed at two different linearization energies corresponding to two different electron bands (or energy windows). We demonstrate that this case can be reduced to the standard treatment within the LAPW paradigm where the usual basis set is enriched by the basis functions of the tight binding type, which go to zero with zero derivative at the sphere boundary. We show that the task is closely related with the problem of extended core states which is currently solved by applying the LAPW method with local orbitals (LAPW+LO). In comparison with LAPW+LO, the number of supplemented basis functions in our approach is doubled, which opens up a new channel for the extension of the LAPW and LAPW+LO basis sets. The appearance of new supplemented basis functions absent in the LAPW+LO treatment is closely related with the existence of the ul-component in the canonical LAPW method. We discuss properties of additional tight binding basis functions and apply the extended basis set for computation of electron energy bands of lanthanum (face and body centered structures) and hexagonal close packed lattice of cadmium. We demonstrate that the new treatment gives lower total energies in comparison with both canonical LAPW and LAPW+LO, with the energy difference more pronounced for intermediate and poor LAPW basis sets.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000379584700003 Publication Date 2016-07-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.965 Times cited 11 Open Access  
  Notes A.V.N. acknowledges useful discussions with B. Verberck, E. V. Tkalya, and A. V. Bibikov. Approved Most recent IF: 2.965  
  Call Number c:irua:134290 Serial 4099  
Permanent link to this record
 

 
Author Buschmann, V.; Schryvers, D.; van Landuyt, J.; van Roost, C.; de Keyzer, R. openurl 
  Title A comparative investigation of replication techniques used for the study of (S+Au) sensitized AgBr microcrystals Type A1 Journal article
  Year 1996 Publication (up) The journal of imaging science and technology Abbreviated Journal J Imaging Sci Techn  
  Volume 40 Issue Pages 189-201  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Springfield, Va Editor  
  Language Wos A1996VL09200003 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1062-3701 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.349 Times cited 4 Open Access  
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 #  
  Call Number UA @ lucian @ c:irua:15428 Serial 418  
Permanent link to this record
 

 
Author van Renterghem, W.; Goessens, C.; Schryvers, D.; van Landuyt, J.; Bollen, D.; de Keyzer, R.; van Roost, C. openurl 
  Title Influence of twinning on the morphology of AgBr and AgCl microcrystals Type A1 Journal article
  Year 2001 Publication (up) The journal of imaging science and technology Abbreviated Journal J Imaging Sci Techn  
  Volume 45 Issue Pages 349-356  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Springfield, Va Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1062-3701 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.348 Times cited Open Access  
  Notes Approved Most recent IF: 0.348; 2001 IF: NA  
  Call Number UA @ lucian @ c:irua:48381 Serial 1657  
Permanent link to this record
 

 
Author Potapov, P.L.; Schryvers, D.; Strijckers, H.; van Roost, C. openurl 
  Title Microstructural mechanism of development in photothermographic materials Type A1 Journal article
  Year 2003 Publication (up) The journal of imaging science and technology Abbreviated Journal J Imaging Sci Techn  
  Volume 47 Issue 2 Pages 115-123  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Springfield, Va Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1062-3701 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.348 Times cited Open Access  
  Notes Approved Most recent IF: 0.348; 2003 IF: NA  
  Call Number UA @ lucian @ c:irua:48382 Serial 2046  
Permanent link to this record
 

 
Author Goessens, C.; Schryvers, D.; van Landuyt, J.; de Keyzer, R. openurl 
  Title New method to determine the parity of the number of twin planes in tabular silver halide microcrystals from top views Type A1 Journal article
  Year 1997 Publication (up) The journal of imaging science and technology Abbreviated Journal J Imaging Sci Techn  
  Volume 41 Issue Pages 301-307  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Springfield, Va Editor  
  Language Wos 000077457600017 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1062-3701 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.348 Times cited 1 Open Access  
  Notes Approved Most recent IF: 0.348; 1997 IF: NA  
  Call Number UA @ lucian @ c:irua:21346 Serial 2324  
Permanent link to this record
 

 
Author van Renterghem, W.; Schryvers, D.; van Landuyt, J.; Bollen, D.; van Roost, C.; de Keyzer, R. openurl 
  Title A TEM study of non-parallel twins inducing thickness growth in silver chloride {111} tabular crystals Type A1 Journal article
  Year 2001 Publication (up) The journal of imaging science and technology Abbreviated Journal J Imaging Sci Techn  
  Volume 45 Issue Pages 83-90  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Springfield, Va Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1062-3701 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.348 Times cited Open Access  
  Notes Approved Most recent IF: 0.348; 2001 IF: NA  
  Call Number UA @ lucian @ c:irua:48380 Serial 3490  
Permanent link to this record
 

 
Author Cassiers, K.; van der Voort, P.; Linssen, T.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. doi  openurl
  Title A counterion-catalyzed (S0H+)(X-I+) pathway toward heat- and steam-stable mesostructured silica assembled from amines in acidic conditions Type A1 Journal article
  Year 2003 Publication (up) The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B  
  Volume 107 Issue 16 Pages 3690-3696  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)  
  Abstract An alternative pathway to assemble mesoporous molecular sieve silicas is developed using nonionic alkylamines and N,N-dimethylalkylamines (SO) as structure-directing agents in acidic conditions. The synthesized mesostructures possess wormhole-like frameworks with pore sizes and pore volumes in the range of 20-90 Angstrom and 0.5-1.3 cm(3)/g, respectively. The formation of the mesophase is controlled by a counterion-mediated mechanism of the type (S(0)H(+))(X(-)I(+)), where S(0)H(+) are protonated water molecules that are hydrogen bonded to the lone electron pairs on the amine surfactant headgroups (S(0)H(+)), X(-) is the counteranion originating from the acid, and I(+) are the positively charged (protonated) silicate species. We found that the stronger the ion X(-) is bonded to S(0)H(+), the more it catalyzes the silica condensation into (S(0)H(+))(X(-)I(+)). Br(-) is shown to be a strong binding anion and therefore a fast silica polymerization promoter compared to Cl(-) resulting in the formation of a higher quality mesophase for the Br(-) syntheses. We also showed that the polymerization rate of the silica, dictated by the counterion, controls the morphology of the mesostructures from nonuniform agglomerated blocks in the case of Br(-) syntheses to spherical particles for the Cl(-) syntheses. Next to many benefits such as low temperature, short synthesis time, and the use of inexpensive, nontoxic, and easily extractable amine templates, the developed materials have a remarkable higher thermal and hydrothermal stability compared to hexagonal mesoporous silica, which is also prepared with nonionic amines but formed through the S(0)I(0) mechanism.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000182350200005 Publication Date 2003-04-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.177 Times cited 9 Open Access  
  Notes Approved Most recent IF: 3.177; 2003 IF: 3.679  
  Call Number UA @ lucian @ c:irua:103300 Serial 24  
Permanent link to this record
 

 
Author Collart, O.; Cool, P.; van der Voort, P.; Meynen, V.; Vansant, E.F.; Houthoofd, K.J.; Grobet, P.J.; Lebedev, O.I.; Van Tendeloo, G. pdf  doi
openurl 
  Title Aluminum incorporation into MCM-48 toward the creation of Brønsted acidity Type A1 Journal article
  Year 2004 Publication (up) The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B  
  Volume 108 Issue Pages 13905-13912  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000224164000003 Publication Date 2004-09-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.177 Times cited 13 Open Access  
  Notes Fwo; Iuap P5/01 Approved Most recent IF: 3.177; 2004 IF: 3.834  
  Call Number UA @ lucian @ c:irua:49014 Serial 92  
Permanent link to this record
 

 
Author Kolen'ko, Y.V.; Kovnir, K.A.; Gavrilov, A.I.; Garshev, A.V.; Frantti, J.; Lebedev, O.I.; Churagulov, B.R.; Van Tendeloo, G.; Yoshimura, M. pdf  doi
openurl 
  Title Hydrothermal synthesis and characterization of nanorods of various titanates and titanium dioxide Type A1 Journal article
  Year 2006 Publication (up) The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B  
  Volume 110 Issue 9 Pages 4030-4038  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000235944500033 Publication Date 2006-03-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.177 Times cited 234 Open Access  
  Notes Approved Most recent IF: 3.177; 2006 IF: 4.115  
  Call Number UA @ lucian @ c:irua:56988 Serial 1540  
Permanent link to this record
 

 
Author Liu, S.; Cool, P.; Collart, O.; van der Voort, P.; Vansant, E.F.; Lebedev, O.I.; Van Tendeloo, G.; Jiang, M. pdf  doi
openurl 
  Title The influence of the alcohol concentration on the structural ordering of mesoporous silica: cosurfactant versus cosolvent Type A1 Journal article
  Year 2003 Publication (up) The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B  
  Volume 107 Issue Pages 10405-10411  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000185401900013 Publication Date 2003-09-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.177 Times cited 134 Open Access  
  Notes Approved Most recent IF: 3.177; 2003 IF: 3.679  
  Call Number UA @ lucian @ c:irua:46264 Serial 1643  
Permanent link to this record
 

 
Author Stevens, W.J.J.; Lebeau, K.; Mertens, M.; Van Tendeloo, G.; Cool, P.; Vansant, E.F. doi  openurl
  Title Investigation of the morphology of the mesoporous SBA-16 and SBA-15 materials Type A1 Journal article
  Year 2006 Publication (up) The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B  
  Volume 110 Issue 18 Pages 9183-9187  
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000237451300042 Publication Date 2006-05-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.177 Times cited 109 Open Access  
  Notes Approved Most recent IF: 3.177; 2006 IF: 4.115  
  Call Number UA @ lucian @ c:irua:58264 Serial 1738  
Permanent link to this record
 

 
Author Linssen, T.; Cool, P.; Baroudi, M.; Cassiers, K.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. doi  openurl
  Title Leached natural saponite as the silicate source in the synthesis of aluminosilicate hexagonal mesoporous materials Type A1 Journal article
  Year 2002 Publication (up) The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B  
  Volume 106 Issue Pages 4470-4476  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000175356900019 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.177 Times cited 23 Open Access  
  Notes Approved Most recent IF: 3.177; 2002 IF: 3.611  
  Call Number UA @ lucian @ c:irua:46279 Serial 1811  
Permanent link to this record
 

 
Author Teunissen, J.L.; Braeckevelt, T.; Skvortsova, I.; Guo, J.; Pradhan, B.; Debroye, E.; Roeffaers, M.B.J.; Hofkens, J.; Van Aert, S.; Bals, S.; Rogge, S.M.J.; Van Speybroeck, V. pdf  url
doi  openurl
  Title Additivity of Atomic Strain Fields as a Tool to Strain-Engineering Phase-Stabilized CsPbI3Perovskites Type A1 Journal Article
  Year 2023 Publication (up) The Journal of Physical Chemistry C Abbreviated Journal J. Phys. Chem. C  
  Volume 127 Issue 48 Pages 23400-23411  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract CsPbI3 is a promising perovskite material for photovoltaic applications in its photoactive perovskite or black phase. However, the material degrades to a photovoltaically inactive or yellow phase at room temperature. Various mitigation strategies are currently being developed to increase the lifetime of the black phase, many of which rely on inducing strains in the material that hinder the black-to-yellow phase transition. Physical insight into how these strategies exactly induce strain as well as knowledge of the spatial extent over which these strains impact the material is crucial to optimize these approaches but is still lacking. Herein, we combine machine learning potential-based molecular dynamics simulations with our in silico strain engineering approach to accurately quantify strained large-scale atomic structures on a nanosecond time scale. To this end, we first model the strain fields introduced by atomic substitutions as they form the most elementary strain sources. We demonstrate that the magnitude of the induced strain fields decays exponentially with the distance from the strain source, following a decay rate that is largely independent of the specific substitution. Second, we show that the total strain field induced by multiple strain sources can be predicted to an excellent approximation by summing the strain fields of each individual source. Finally, through a case study, we illustrate how this additive character allows us to explain how complex strain fields, induced by spatially extended strain sources, can be predicted by adequately combining the strain fields caused by local strain sources. Hence, the strain additivity proposed here can be adopted to further our insight into the complex strain behavior in perovskites and to design strain from the atomic level onward to enhance their sought-after phase stability.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001116862000001 Publication Date 2023-12-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.7 Times cited Open Access  
  Notes This work was supported by iBOF-21-085 PERsist (Special Research Fund of Ghent University, KU Leuven Research Fund, and the Research Fund of the University of Antwerp). S.M.J.R., T.B., and B.P. acknowledge financial support from the Research Foundation-Flanders (FWO) through two postdoctoral fellow- ships [grant nos. 12T3522N (S.M.J.R.) and 1275521N (B.P.)] and an SB-FWO fellowship [grant no. 1SC1319 (T.B.)]. E.D., M.B.J.R., and J.H. acknowledge financial support from the Research Foundation-Flanders (FWO, grant nos. G.0B39.15, G.0B49.15, G098319N, S002019N, S004322N, and ZW15_09- GOH6316). J.H. acknowledges support from the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) and the MPI as an MPI fellow. S.V.A. and S.B. acknowledge financial support from the Research Foundation-Flanders (FWO, grant no. G0A7723N). S.M.J.R. and V.V.S. acknowledge funding from the Research Board of Ghent University (BOF). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation- Flanders (FWO) and the Flemish Government�department EWI.; KU Leuven, iBOF-21-085 PERsist ; Universiteit Antwerpen, iBOF-21-085 PERsist ; Universiteit Gent, iBOF-21-085 PERsist ; Vlaamse regering, CASAS2, Meth/15/04 ; Fonds Wetenschappelijk Onderzoek, G.0B39.15 G098319N G.0B49.15 1SC1319 12T3522N ZW15 09-GOH6316 G0A7723N 1275521N S004322N S002019N ; Approved Most recent IF: 3.7; 2023 IF: 4.536  
  Call Number EMAT @ emat @c:irua:202124 Serial 8985  
Permanent link to this record
 

 
Author Delfino, C.L.; Hao, Y.; Martin, C.; Minoia, A.; Gopi, E.; Mali, K.S.; Van der Auweraer, M.; Geerts, Y.H.; Van Aert, S.; Lazzaroni, R.; De Feyter, S. pdf  url
doi  openurl
  Title Conformation-Dependent Monolayer and Bilayer Structures of an Alkylated TTF Derivative Revealed using STM and Molecular Modeling Type A1 Journal Article
  Year 2023 Publication (up) The Journal of Physical Chemistry C Abbreviated Journal J. Phys. Chem. C  
  Volume 127 Issue 47 Pages 23023-23033  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract In this study, the multi-layer self-assembled molecular network formation of an alkylated tetrathiafulvalene compound is studied at the liquid-solid interface between 1-phenyloctane and graphite. A combined theoretical/experimental approach associating force-field and quantum-chemical calculations with scanning tunnelling microscopy is used to determine the two-dimensional self-assembly beyond the monolayer, but also to further the understanding of the molecular adsorption conformation and its impact on the molecular packing within the assemblies at the monolayer and bilayer level.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001111637100001 Publication Date 2023-11-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.7 Times cited Open Access Not_Open_Access  
  Notes Financial support from the Research Foundation-Flanders (FWO G081518N, G0A3220N) and KU Leuven–Internal Funds (C14/19/079) is acknowledged. This work was in part supported by FWO and F. R. S.-FNRS under the Excellence of Science EOS program (project 30489208 and 40007495). C.M. acknowledges the financial support: Grants PID2021-128761OA-C22 and CNS2022-136052 funded by MCIN/AEI/10.13039/501100011033 by the “European Union” and SBPLY/21/180501/000127 funded by JCCM and by the EU through “Fondo Europeo de Desarollo Regional” (FEDER). Research in Mons is also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif – CÉCI, under Grant 2.5020.11, and by the Walloon Region (ZENOBE Tier-1 supercomputer, under grant 1117545). Approved Most recent IF: 3.7; 2023 IF: 4.536  
  Call Number EMAT @ emat @c:irua:201671 Serial 8974  
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