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Author Annys, A.; Jannis, D.; Verbeeck, J. doi  openurl
  Title Core-loss EELS dataset and neural networks for element identification Type Dataset
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Dataset; Electron microscopy for materials research (EMAT)  
  Abstract We present a large dataset containing simulated core-loss electron energy loss spectroscopy (EELS) spectra with the elemental content as ground-truth labels. Additionally we present some neural networks trained on this data for element identification.  The simulated dataset contains zero padded core-loss spectra from 0 to 3072 eV, which represents 107 core-loss edges through all 80 elements from Be up to Bi. The core-loss edges are calculated from the generalised oscillator strength (GOS) database presented by Zhang et al.[1] Generic fine structures using lifetime broadened peaks are used to imitate fine structure due to solid-state effects in experimental spectra. Generic low-loss regions are used to imitate the effect of multiple scattering. Each spectrum contains at least one edge of a given query element and possibly additional edges depending on samples drawn from The Materials Project [2]. The dataset contains for each of the 80 elements: 7000 training spectra, 1500 test spectra, 600 validation spectra and 100 spectra representing only the query element. This results in a total 736 000 labeled spectra. Code on how to  – read the simulated data – transform HDF5 format to TFRecord format – train and evaluate neural networks using the simulated data – use the trained networks for automated element identification is available on GitHub at arnoannys/EELS_ID A full report on the simulation of the dataset and the training and evaluation of the neural networks can be found at:                    Annys, A., Jannis, D. & Verbeeck, J. Deep learning for automated materials characterisation in core-loss electron energy loss spectroscopy. Sci Rep 13, 13724 (2023). https://doi.org/10.1038/s41598-023-40943-7 [1] Zezhong Zhang, Ivan Lobato, Daen Jannis, Johan Verbeeck, Sandra Van Aert, & Peter Nellist. (2023). Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions (1.0) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.7729585 [2] Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A. Persson; Commentary: The Materials Project: A materials genome approach to accelerating materials innovation. APL Mater 1 July 2013; 1 (1): 011002. [https://doi.org/10.1063/1.4812323](https://doi.org/10.1063/1.4812323)  
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  Call Number UA @ admin @ c:irua:203391 Serial 9015  
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Author Zhang, Z.; Lobato, I.; Brown, H.; Jannis, D.; Verbeeck, J.; Van Aert, S.; Nellist, P. doi  openurl
  Title Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions Type Dataset
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Dataset; Electron microscopy for materials research (EMAT)  
  Abstract Inelastic excitation as exploited in Electron Energy Loss Spectroscopy (EELS) contains a rich source of information that is revealed in the scattering process. To accurately quantify core-loss EELS, it is common practice to fit the observed spectrum with scattering cross-sections calculated using experimental parameters and a Generalized Oscillator Strength (GOS) database [1].   The GOS is computed using Fermi’s Golden Rule and orbitals of bound and excited states. Previously, the GOS was based on Hartree-Fock solutions [2], but more recently Density Functional Theory (DFT) has been used [3]. In this work, we have chosen to use the Dirac equation to incorporate relativistic effects and have performed calculations using Flexible Atomic Code (FAC) [4]. This repository contains a tabulated GOS database based on Dirac solutions for computing double differential cross-sections under experimental conditions.   We hope the Dirac-based GOS database can benefit the EELS community for both academic use and industry integration.   Database Details: – Covers all elements (Z: 1-108) and all edges – Large energy range: 0.01 – 4000 eV – Large momentum range: 0.05 -50 Å-1 – Fine log sampling: 128 points for energy and 256 points for momentum – Data format: GOSH [3]   Calculation Details: – Single atoms only; solid-state effects are not considered – Unoccupied states before continuum states of ionization are not considered; no fine structure – Plane Wave Born Approximation – Frozen Core Approximation is employed; electrostatic potential remains unchanged for orthogonal states when – core-shell electron is excited – Self-consistent Dirac–Fock–Slater iteration is used for Dirac calculations; Local Density Approximation is assumed for electron exchange interactions; continuum states are normalized against asymptotic form at large distances – Both large and small component contributions of Dirac solutions are included in GOS – Final state contributions are included until the contribution of the previous three states falls below 0.1%. A convergence log is provided for reference.   Version 1.1 release note: – Update to be consistent with GOSH data format [3], all the edges are now within a single hdf5 file. A notable change in particular, the sampling in momentum is in 1/m, instead of previously in 1/Å. Great thanks to Gulio Guzzinati for his suggestions and sending conversion script.  Version 1.2 release note: – Add “File Type / File version” information [1] Verbeeck, J., and S. Van Aert. Ultramicroscopy 101.2-4 (2004): 207-224. [2] Leapman, R. D., P. Rez, and D. F. Mayers. The Journal of Chemical Physics 72.2 (1980): 1232-1243. [3] Segger, L, Guzzinati, G, & Kohl, H. Zenodo (2023). doi:10.5281/zenodo.7645765 [4] Gu, M. F. Canadian Journal of Physics 86(5) (2008): 675-689.  
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  Call Number UA @ admin @ c:irua:203392 Serial 9042  
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Author Grünewald, L.; Chezganov, D.; De Meyer, R.; Orekhov, A.; Van Aert, S.; Bogaerts, A.; Bals, S.; Verbeeck, J. doi  openurl
  Title Supplementary Information for “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” Type Dataset
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Supplementary information for the article “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” containing the videos of in-situ SEM imaging (mp4 files), raw data/images, and Jupyter notebooks (ipynb files) for data treatment and plots. Link to the preprint: https://doi.org/10.48550/arXiv.2308.15123 Explanation of the data files can be found in the Information.pdf file. The Videos folder contains the in-situ SEM image series mentioned in the paper. If there are any questions/bugs, feel free to contact me at lukas.grunewaldatuantwerpen.be  
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  Notes Approved no  
  Call Number UA @ admin @ c:irua:203389 Serial 9100  
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Author Grieten, E. openurl 
  Title Modifications to the nano-texture of old photographs & daguerreotypes by degradation and atmospheric plasma treatment Type Doctoral thesis
  Year 2016 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Art; Electron microscopy for materials research (EMAT)  
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  Publisher Universiteit Antwerpen, Faculteit Ontwerpwetenschappen, Opleiding Conservatie-Restauratie Place of Publication Antwerpen Editor  
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  Series Editor Series Title Abbreviated Series Title  
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  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:135932 Serial 4393  
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Author Lobato, I. openurl 
  Title Accurate modeling of high angle electron scattering Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:120593 Serial 50  
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Author Amin-Ahmadi, B. url  openurl
  Title Adanced TEM investigation of the elementary plsticity mechanisms in palladium thin films at the nano scale Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:125236 Serial 56  
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Author Goris, B. openurl 
  Title Advanced electron tomography : 3 dimensional structural characterisation of nanomaterials down to the atomic scale Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:119017 Serial 71  
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Author d' Hondt, H. openurl 
  Title Characterization of anion deficient perovskites Type Doctoral thesis
  Year 2011 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:87905 Serial 317  
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Author Kirilenko, D. openurl 
  Title Characterization of graphene by electron diffraction Type Doctoral thesis
  Year 2012 Publication Abbreviated Journal  
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  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:98834 Serial 323  
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Author Wiktor, C. openurl 
  Title Characterization of metal-organic frameworks and other porous materials via advanced transmission electron microscopy Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:123905 Serial 325  
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Author Leroux, F. openurl 
  Title Characterization of soft-hard matter composite materials by advanced transmission electron microscopy Type Doctoral thesis
  Year 2012 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
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  Corporate Author Thesis  
  Publisher Universiteit Antwerpen, EMAT Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
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  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:99023 Serial 333  
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Author Lu, Y. openurl 
  Title Electron energy-loss spectroscopy (EELS) characterization of diamond and related materials Type Doctoral thesis
  Year 2013 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:111231 Serial 932  
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Author Biermans, E. openurl 
  Title Electron tomography : from qualitative to quantitative Type Doctoral thesis
  Year 2012 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Language Wos Publication Date 0000-00-00  
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  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:94220 Serial 989  
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Author Govaerts, K. openurl 
  Title First-principles study of homologous series of layered Bi-Sb-Te-Se and Sn-O structures Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:126206 Serial 1218  
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Author Tan, H. openurl 
  Title From EELS to oxidation state mapping : an investigation into oxidation state mapping of transition metals with electron energy-loss spectroscopy Type Doctoral thesis
  Year 2012 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:96030 Serial 1280  
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Author Shi, H. openurl 
  Title From functional properties to micro/nano-structures : a TEM study of NiTiNb shape memory alloys Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
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  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:116623 Serial 1281  
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Author Ke, X. openurl 
  Title From top-down to bottom-up : from carbon nanotubes to nanodevices Type Doctoral thesis
  Year 2010 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:87408 Serial 1289  
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Author Khaletskaya, K. openurl 
  Title Functional metal-organic frameworks : from bulk to surface engineered properties Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
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  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:123904 Serial 1301  
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Author Sarmadian, N. openurl 
  Title Identification of thin-film photovoltaic cell materials based on high-throughput first-principles calculations Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
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  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen 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:126078 Serial 1551  
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Author Roose, D. openurl 
  Title Magnetic resonance imaging and electron microscopy of iron oxide particles in the brain Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
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  Corporate Author Thesis  
  Publisher Universiteit Antwerpen, Faculteit Farmaceutische, Biomedische en Diergeneeskundige Wetenschappen, Departement Biomedische Wetenschappen Place of Publication Antwerpen 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:123897 Serial 1889  
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Author Batuk, D. openurl 
  Title Modular structures with lone electron pair cations Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
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  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:116936 Serial 2162  
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Author Batuk, M. openurl 
  Title New perovskite-based homologous series : AnBnO3n-2 and An+1BnO3n-1Cl Type Doctoral thesis
  Year 2013 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen 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:109208 Serial 2331  
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Author Cao, S. openurl 
  Title Quantitative 3D analysis of Ni4Ti3 precipitate morphology and distribution in Ni-Ti by FIB/SEM slice-and-view Type Doctoral thesis
  Year 2010 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
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  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:89816 Serial 2744  
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Author Wang, W.-C. openurl 
  Title Quantitative analysis of electron exit waves with single atom sensitivity Type Doctoral thesis
  Year 2011 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Publisher Place of Publication Antwerpen 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:93201 Serial 2745  
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Author de Backer, A. url  openurl
  Title Quantitative atomic resolution electron microscopy using advanced statistical techniques Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:125636 Serial 2747  
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Author Heidari Mezerji, H. openurl 
  Title Quantitative electron tomography of nanoparticles Type Doctoral thesis
  Year 2012 Publication Abbreviated Journal  
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  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:100629 Serial 2755  
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Author Egoavil, R. openurl 
  Title STEM investigation of complex oxides at the atomic scale Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
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  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:123302 Serial 3160  
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Author Wang, B. openurl 
  Title TEM study of plasticity mechanisms in metals : nanocrystalline Al Pd thin films and bulk bcc Nb Type Doctoral thesis
  Year 2011 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
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  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:93202 Serial 3491  
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Author Meledina, M. openurl 
  Title Advanced electron microscopy characterization of catalysts Type Doctoral thesis
  Year 2016 Publication Abbreviated Journal  
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  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:133788 Serial 4135  
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Author Kurttepeli, M. url  openurl
  Title Carbon based materials and hybrid nanostructures investigated by advanced transmission electron microscopy Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords (up) Doctoral thesis; Electron microscopy for materials research (EMAT)  
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  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
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  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:130502 Serial 4145  
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