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Author |
Annys, A.; Jannis, D.; Verbeeck, J. |
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Title |
Core-loss EELS dataset and neural networks for element identification |
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2023 |
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Dataset; Electron microscopy for materials research (EMAT) |
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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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UA @ admin @ c:irua:203391 |
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9015 |
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Author |
Zhang, Z.; Lobato, I.; Brown, H.; Jannis, D.; Verbeeck, J.; Van Aert, S.; Nellist, P. |
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Title |
Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions |
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2023 |
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Dataset; Electron microscopy for materials research (EMAT) |
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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. |
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Title |
Supplementary Information for “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” |
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2023 |
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Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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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Call Number |
UA @ admin @ c:irua:203389 |
Serial |
9100 |
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Author |
Lobato, I. |
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Title |
Accurate modeling of high angle electron scattering |
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Doctoral thesis |
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2014 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Call Number |
UA @ lucian @ c:irua:120593 |
Serial |
50 |
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Author |
Amin-Ahmadi, B. |
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Title |
Adanced TEM investigation of the elementary plsticity mechanisms in palladium thin films at the nano scale |
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Doctoral thesis |
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2015 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Call Number |
UA @ lucian @ c:irua:125236 |
Serial |
56 |
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Author |
Goris, B. |
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Title |
Advanced electron tomography : 3 dimensional structural characterisation of nanomaterials down to the atomic scale |
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Doctoral thesis |
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2014 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Call Number |
UA @ lucian @ c:irua:119017 |
Serial |
71 |
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Author |
d' Hondt, H. |
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Title |
Characterization of anion deficient perovskites |
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Doctoral thesis |
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2011 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Call Number |
UA @ lucian @ c:irua:87905 |
Serial |
317 |
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Author |
Kirilenko, D. |
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Title |
Characterization of graphene by electron diffraction |
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Doctoral thesis |
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2012 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Call Number |
UA @ lucian @ c:irua:98834 |
Serial |
323 |
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Author |
Wiktor, C. |
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Title |
Characterization of metal-organic frameworks and other porous materials via advanced transmission electron microscopy |
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Doctoral thesis |
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2014 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Call Number |
UA @ lucian @ c:irua:123905 |
Serial |
325 |
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Author |
Leroux, F. |
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Title |
Characterization of soft-hard matter composite materials by advanced transmission electron microscopy |
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Doctoral thesis |
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2012 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Universiteit Antwerpen, EMAT |
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Antwerpen |
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Call Number |
UA @ lucian @ c:irua:99023 |
Serial |
333 |
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Author |
Lu, Y. |
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Title |
Electron energy-loss spectroscopy (EELS) characterization of diamond and related materials |
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Doctoral thesis |
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2013 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Call Number |
UA @ lucian @ c:irua:111231 |
Serial |
932 |
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Author |
Biermans, E. |
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Title |
Electron tomography : from qualitative to quantitative |
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Doctoral thesis |
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Year |
2012 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Call Number |
UA @ lucian @ c:irua:94220 |
Serial |
989 |
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Author |
Govaerts, K. |
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Title |
First-principles study of homologous series of layered Bi-Sb-Te-Se and Sn-O structures |
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Doctoral thesis |
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2015 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Call Number |
UA @ lucian @ c:irua:126206 |
Serial |
1218 |
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Author |
Tan, H. |
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Title |
From EELS to oxidation state mapping : an investigation into oxidation state mapping of transition metals with electron energy-loss spectroscopy |
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Doctoral thesis |
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2012 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Call Number |
UA @ lucian @ c:irua:96030 |
Serial |
1280 |
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Author |
Shi, H. |
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Title |
From functional properties to micro/nano-structures : a TEM study of NiTiNb shape memory alloys |
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Doctoral thesis |
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2014 |
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Wos |
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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:116623 |
Serial |
1281 |
|
Permanent link to this record |
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Author |
Ke, X. |
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|
Title |
From top-down to bottom-up : from carbon nanotubes to nanodevices |
Type |
Doctoral thesis |
|
Year |
2010 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Wos |
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Publication Date |
0000-00-00 |
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Edition |
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ISBN |
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Additional Links |
UA library record |
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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 |
|
Permanent link to this record |
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Author |
Khaletskaya, K. |
|
|
Title |
Functional metal-organic frameworks : from bulk to surface engineered properties |
Type |
Doctoral thesis |
|
Year |
2014 |
Publication |
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Abbreviated Journal |
|
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Volume |
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Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Issue |
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Edition |
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ISBN |
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Additional Links |
UA library record |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:123904 |
Serial |
1301 |
|
Permanent link to this record |
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Author |
Sarmadian, N. |
|
|
Title |
Identification of thin-film photovoltaic cell materials based on high-throughput first-principles calculations |
Type |
Doctoral thesis |
|
Year |
2015 |
Publication |
|
Abbreviated Journal |
|
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Volume |
|
Issue |
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Pages |
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|
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
|
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|
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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 |
|
Permanent link to this record |
|
|
|
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Author |
Roose, D. |
|
|
Title |
Magnetic resonance imaging and electron microscopy of iron oxide particles in the brain |
Type |
Doctoral thesis |
|
Year |
2015 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
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Pages |
|
|
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Publisher |
Universiteit Antwerpen, Faculteit Farmaceutische, Biomedische en Diergeneeskundige Wetenschappen, Departement Biomedische Wetenschappen |
Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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|
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Series Issue |
|
Edition |
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ISSN |
|
ISBN |
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Additional Links |
UA library record |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:123897 |
Serial |
1889 |
|
Permanent link to this record |
|
|
|
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Author |
Batuk, D. |
|
|
Title |
Modular structures with lone electron pair cations |
Type |
Doctoral thesis |
|
Year |
2014 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
|
|
|
Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
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Corporate Author |
|
Thesis |
|
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Publisher |
|
Place of Publication |
Antwerpen |
Editor |
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Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
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Series Editor |
|
Series Title |
|
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|
|
|
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:116936 |
Serial |
2162 |
|
Permanent link to this record |
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|
|
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Author |
Batuk, M. |
|
|
Title |
New perovskite-based homologous series : AnBnO3n-2 and An+1BnO3n-1Cl |
Type |
Doctoral thesis |
|
Year |
2013 |
Publication |
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Abbreviated Journal |
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Volume |
|
Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:109208 |
Serial |
2331 |
|
Permanent link to this record |
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Author |
Cao, S. |
|
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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 |
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Volume |
|
Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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|
Abstract |
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Address |
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Corporate Author |
|
Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:89816 |
Serial |
2744 |
|
Permanent link to this record |
|
|
|
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Author |
Wang, W.-C. |
|
|
Title |
Quantitative analysis of electron exit waves with single atom sensitivity |
Type |
Doctoral thesis |
|
Year |
2011 |
Publication |
|
Abbreviated Journal |
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Volume |
|
Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:93201 |
Serial |
2745 |
|
Permanent link to this record |
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Author |
de Backer, A. |
|
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Title |
Quantitative atomic resolution electron microscopy using advanced statistical techniques |
Type |
Doctoral thesis |
|
Year |
2015 |
Publication |
|
Abbreviated Journal |
|
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|
Volume |
|
Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:125636 |
Serial |
2747 |
|
Permanent link to this record |
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Author |
Heidari Mezerji, H. |
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Title |
Quantitative electron tomography of nanoparticles |
Type |
Doctoral thesis |
|
Year |
2012 |
Publication |
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Abbreviated Journal |
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Volume |
|
Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:100629 |
Serial |
2755 |
|
Permanent link to this record |
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|
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Author |
Martínez Alanis, G.T. |
|
|
Title |
Quantitative model-based high angle annular dark field scanning transmission electron microscopy |
Type |
Doctoral thesis |
|
Year |
2015 |
Publication |
|
Abbreviated Journal |
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Volume |
|
Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT); Engineering Management (ENM) |
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Abstract |
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Address |
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Corporate Author |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
|
Open Access |
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|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:122528 |
Serial |
2759 |
|
Permanent link to this record |
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Author |
Egoavil, R. |
|
|
Title |
STEM investigation of complex oxides at the atomic scale |
Type |
Doctoral thesis |
|
Year |
2014 |
Publication |
|
Abbreviated Journal |
|
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Volume |
|
Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
|
Open Access |
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|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:123302 |
Serial |
3160 |
|
Permanent link to this record |
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|
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Author |
Wang, B. |
|
|
Title |
TEM study of plasticity mechanisms in metals : nanocrystalline Al Pd thin films and bulk bcc Nb |
Type |
Doctoral thesis |
|
Year |
2011 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:93202 |
Serial |
3491 |
|
Permanent link to this record |
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Author |
Meledina, M. |
|
|
Title |
Advanced electron microscopy characterization of catalysts |
Type |
Doctoral thesis |
|
Year |
2016 |
Publication |
|
Abbreviated Journal |
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Volume |
|
Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:133788 |
Serial |
4135 |
|
Permanent link to this record |
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Author |
Kurttepeli, M. |
|
|
Title |
Carbon based materials and hybrid nanostructures investigated by advanced transmission electron microscopy |
Type |
Doctoral thesis |
|
Year |
2015 |
Publication |
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Abbreviated Journal |
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Volume |
|
Issue |
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Pages |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Place of Publication |
Antwerpen |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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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 |
|
Permanent link to this record |