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Records |
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Author |
Ning, S.; Xu, W.; Ma, Y.; Loh, L.; Pennycook, T.J.; Zhou, W.; Zhang, F.; Bosman, M.; Pennycook, S.J.; He, Q.; Loh, N.D. |
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Title |
Accurate and Robust Calibration of the Uniform Affine Transformation Between Scan-Camera Coordinates for Atom-Resolved In-Focus 4D-STEM Datasets |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
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Volume |
|
Issue |
|
Pages |
1-11 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Accurate geometrical calibration between the scan coordinates and the camera coordinates is critical in four-dimensional scanning transmission electron microscopy (4D-STEM) for both quantitative imaging and ptychographic reconstructions. For atomic-resolved, in-focus 4D-STEM datasets, we propose a hybrid method incorporating two sub-routines, namely a J-matrix method and a Fourier method, which can calibrate the uniform affine transformation between the scan-camera coordinates using raw data, without a priori knowledge about the crystal structure of the specimen. The hybrid method is found robust against scan distortions and residual probe aberrations. It is also effective even when defects are present in the specimen, or the specimen becomes relatively thick. We will demonstrate that a successful geometrical calibration with the hybrid method will lead to a more reliable recovery of both the specimen and the electron probe in a ptychographic reconstruction. We will also show that, although the elimination of local scan position errors still requires an iterative approach, the rate of convergence can be improved, and the residual errors can be further reduced if the hybrid method can be firstly applied for initial calibration. The code is made available as a simple-to-use tool to correct affine transformations of the scan-camera coordinates in 4D-STEM experiments. |
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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 |
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Editor |
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Language |
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Wos |
000767045700001 |
Publication Date |
2022-03-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1431-9276 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.8 |
Times cited |
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Open Access |
OpenAccess |
|
Notes |
N. D. Loh kindly acknowledges support from NUS Early Career Research Award (R-154-000-B35-133), MOE’s AcRF Tier 1 grant nr. R-284-000-172-114 and NRF CRP grant number NRF-CRP16-2015-05. Q. He would also like to acknowledge the support of the National Research Foundation (NRF) Singapore, under its NRF Fellowship (NRF-NRFF11-2019-0002). W. Zhou acknowledges the support from Beijing Outstanding Young Scientist Program (BJJWZYJH01201914430039). F. Zhang acknowledges the support of the National Natural Science Foundation of China (11775105, 12074167). T. J. Pennycook acknowledges funding under the European Union’s Horizon 2020 research and innovation programme from the European Research Council (ERC) Grant agreement No. 802123-HDEM. |
Approved |
Most recent IF: 2.8 |
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Call Number |
EMAT @ emat @c:irua:186958 |
Serial |
6957 |
Permanent link to this record |
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Author |
Bertoni, G.; Verbeeck, J. |
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Title |
Accuracy and precision in model based EELS quantification |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
Volume |
108 |
Issue |
8 |
Pages |
782-790 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
We present results on model based quantification of electron energy loss spectra (EELS), focusing on the factors that influence accuracy and precision in determining chemical concentrations. Several sources of systematical errors are investigated. The spectrometer entrance aperture determines the collection angle, and the effects of its position with respect to the transmitted beam are investigated, taking into account the diffraction by the crystal structure. The effect of the orientation of the sample is tested experimentally and theoretically on SrTiO3, and finally, a simulated experiment on c-BN at different thicknesses confirms the superior results of the model based method with respect to the conventional method. A test on a set of experimental reference compounds is presented, showing that remarkably good accuracy can be obtained. Recommendations are given to achieve high accuracy and precision in practice. (C) 2008 Elsevier B.V. All rights reserved. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000258241900010 |
Publication Date |
2008-02-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
44 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.843; 2008 IF: 2.629 |
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Call Number |
UA @ lucian @ c:irua:70550UA @ admin @ c:irua:70550 |
Serial |
42 |
Permanent link to this record |
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Author |
Paolella, A.; Turner, S.; Bertoni, G.; Hovington, P.; Flacau, R.; Boyer, C.; Feng, Z.; Colombo, M.; Marras, S.; Prato, M.; Manna, L.; Guerfi, A.; Demopoulos, G.P.; Armand, M.; Zaghib, K.; |
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Title |
Accelerated removal of Fe-antisite defects while nanosizing hydrothermal LiFePO4 with Ca2+ |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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Volume |
16 |
Issue |
16 |
Pages |
2692-2697 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Based on neutron powder diffraction (NPD) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), we show that calcium ions help eliminate the Fe-antisite defects by controlling the nucleation and evolution of the LiFePO4 particles during their hydrothermal synthesis. This Ca-regulated formation of LiFePO4 particles has an overwhelming impact on the removal of their iron antisite defects during the subsequent carbon coating step since (i) almost all the Fe-antisite defects aggregate at the surface of the LiFePO4 crystal when the crystals are small enough and (ii) the concomitant increase of the surface area, which further exposes the Fe-antisite defects. Our results not only justify a low-cost, efficient and reliable hydrothermal synthesis method for LiFePO4 but also provide a promising alternative viewpoint on the mechanism controlling the nanosizing of LiFePO4, which leads to improved electrochemical performances. |
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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 |
Washington |
Editor |
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Language |
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Wos |
000374274600084 |
Publication Date |
2016-03-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1530-6984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.712 |
Times cited |
30 |
Open Access |
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Notes |
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Approved |
Most recent IF: 12.712 |
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Call Number |
UA @ lucian @ c:irua:133600 |
Serial |
4134 |
Permanent link to this record |
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Author |
Choudhary, K.; Bercx, M.; Jiang, J.; Pachter, R.; Lamoen, D.; Tavazza, F. |
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Title |
Accelerated Discovery of Efficient Solar Cell Materials Using Quantum and Machine-Learning Methods |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
31 |
Issue |
15 |
Pages |
5900-5908 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Solar energy plays an important role in solving serious environmental
problems and meeting the high energy demand. However, the lack of suitable
materials hinders further progress of this technology. Here, we present the largest
inorganic solar cell material search till date using density functional theory (DFT) and
machine-learning approaches. We calculated the spectroscopic limited maximum
efficiency (SLME) using the Tran−Blaha-modified Becke−Johnson potential for 5097
nonmetallic materials and identified 1997 candidates with an SLME higher than 10%,
including 934 candidates with a suitable convex-hull stability and an effective carrier
mass. Screening for two-dimensional-layered cases, we found 58 potential materials
and performed G0W0 calculations on a subset to estimate the prediction uncertainty. As the above DFT methods are still computationally expensive, we developed a high accuracy machine-learning model to prescreen efficient materials and applied it to over a million materials. Our results provide a general framework and universal strategy for the design of high-efficiency solar
cell materials. The data and tools are publicly distributed at: https://www.ctcms.nist.gov/~knc6/JVASP.html, https://www.
ctcms.nist.gov/jarvisml/, https://jarvis.nist.gov/, and https://github.com/usnistgov/jarvis. |
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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 |
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Editor |
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Language |
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Wos |
000480826900060 |
Publication Date |
2019-08-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
6 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 9.466 |
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Call Number |
EMAT @ emat @c:irua:161814 |
Serial |
5291 |
Permanent link to this record |
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Author |
Vijayakumar, J.; Savchenko, T.M.; Bracher, D.M.; Lumbeeck, G.; Béché, A.; Verbeeck, J.; Vajda, Š.; Nolting, F.; Vaz, Ca.f.; Kleibert, A. |
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Title |
Absence of a pressure gap and atomistic mechanism of the oxidation of pure Co nanoparticles |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
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Volume |
14 |
Issue |
1 |
Pages |
174 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Understanding chemical reactivity and magnetism of 3<italic>d</italic>transition metal nanoparticles is of fundamental interest for applications in fields ranging from spintronics to catalysis. Here, we present an atomistic picture of the early stage of the oxidation mechanism and its impact on the magnetism of Co nanoparticles. Our experiments reveal a two-step process characterized by (i) the initial formation of small CoO crystallites across the nanoparticle surface, until their coalescence leads to structural completion of the oxide shell passivating the metallic core; (ii) progressive conversion of the CoO shell to Co<sub>3</sub>O<sub>4</sub>and void formation due to the nanoscale Kirkendall effect. The Co nanoparticles remain highly reactive toward oxygen during phase (i), demonstrating the absence of a pressure gap whereby a low reactivity at low pressures is postulated. Our results provide an important benchmark for the development of theoretical models for the chemical reactivity in catalysis and magnetism during metal oxidation at the nanoscale. |
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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 |
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Editor |
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Language |
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Wos |
000955726400021 |
Publication Date |
2023-01-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2041-1723 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
16.6 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, 200021160186 2002153540 ; EC | Horizon 2020 Framework Programme, 810310 823717 ; University of Basel | Swiss Nanoscience Institute, P1502 ; This work is funded by Swiss National Foundation (SNF) (Grants. No 200021160186 and 2002153540) and the Swiss Nanoscience Institut (SNI) (Grant No. SNI P1502). S.V. acknowledges support from the European Union’s Horizon 2020 research and innovation programme under grant agreement no. 810310, which corresponds to the J. Heyrovsky Chair project (“ERA Chair at J. Heyrovský Institute of Physical Chemistry AS CR – The institutional approach towards ERA”). The funders had no role in the preparation of the article. Part of this work was performed at the Surface/Interface: Microscopy (SIM) beamline of the Swiss Light Source (SLS), Paul Scherrer Institut, Villigen, Switzerland. We kindly acknowledge Anja Weber and Elisabeth Müller from PSI for their help in fabricating the sample markers. A.B. and J. Verbeeck received funding from the European Union’s Horizon 2020 Research Infrastructure – Integrating Activities for Advanced Communities under grant agreement No. 823717 – ESTEEM3 reported |
Approved |
Most recent IF: 16.6; 2023 IF: 12.124 |
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Call Number |
EMAT @ emat @c:irua:196738 |
Serial |
8804 |
Permanent link to this record |
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Author |
Turner, S.; Shenderova, O.; da Pieve, F.; Lu, Y.-G.; Yücelen, E.; Verbeeck, J.; Lamoen, D.; Van Tendeloo, G. |
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Title |
Aberration-corrected microscopy and spectroscopy analysis of pristine, nitrogen containing detonation nanodiamond |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
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Volume |
210 |
Issue |
10 |
Pages |
1976-1984 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Aberration-corrected transmission electron microscopy, electron energy-loss spectroscopy, and density functional theory (DFT) calculations are used to solve several key questions about the surface structure, the particle morphology, and the distribution and nature of nitrogen impurities in detonation nanodiamond (DND) cleaned by a recently developed ozone treatment. All microscopy and spectroscopy measurements are performed at a lowered acceleration voltage (80/120kV), allowing prolonged and detailed experiments to be carried out while minimizing the risk of knock-on damage or surface graphitization of the nanodiamond. High-resolution TEM (HRTEM) demonstrates the stability of even the smallest nanodiamonds under electron illumination at low voltage and is used to image the surface structure of pristine DND. High resolution electron energy-loss spectroscopy (EELS) measurements on the fine structure of the carbon K-edge of nanodiamond demonstrate that the typical * pre-peak in fact consists of three sub-peaks that arise from the presence of, amongst others, minimal fullerene-like reconstructions at the nanoparticle surfaces and deviations from perfect sp(3) coordination at defects in the nanodiamonds. Spatially resolved EELS experiments evidence the presence of nitrogen within the core of DND particles. The nitrogen is present throughout the whole diamond core, and can be enriched at defect regions. By comparing the fine structure of the experimental nitrogen K-edge with calculated energy-loss near-edge structure (ELNES) spectra from DFT, the embedded nitrogen is most likely related to small amounts of single substitutional and/or A-center nitrogen, combined with larger nitrogen clusters. |
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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 |
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Editor |
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Language |
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Wos |
000329299700025 |
Publication Date |
2013-10-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1862-6300; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.775 |
Times cited |
37 |
Open Access |
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Notes |
262348 ESMI; 246791 COUNTATOMS; FWO; Hercules; GOA XANES meets ELNES |
Approved |
Most recent IF: 1.775; 2013 IF: 1.525 |
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Call Number |
UA @ lucian @ c:irua:110821UA @ admin @ c:irua:110821 |
Serial |
41 |
Permanent link to this record |
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Author |
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
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Title |
Ab initio study of shallow acceptors in bixbyite V2O3 |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
117 |
Issue |
117 |
Pages |
015703 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We present the results of our study on p-type dopability of bixbyite V2O3 using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) within the density functional theory (DFT) formalism. We study vanadium and oxygen vacancies as intrinsic defects and substitutional Mg, Sc, and Y as extrinsic defects. We find that Mg substituting V acts as a shallow acceptor, and that oxygen vacancies are electrically neutral. Hence, we predict Mg-doped V2O3 to be a p-type conductor. Our results also show that vanadium vacancies are relatively shallow, with a binding energy of 0.14 eV, so that they might also lead to p-type conductivity. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000347958600067 |
Publication Date |
2015-01-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979;1089-7550; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
3 |
Open Access |
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Notes |
FWO G015013; Hercules |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
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Call Number |
c:irua:122728 |
Serial |
35 |
Permanent link to this record |
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Author |
Madsen, J.; Pennycook, T.J.; Susi, T. |
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Title |
ab initio description of bonding for transmission electron microscopy |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
231 |
Issue |
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Pages |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The simulation of transmission electron microscopy (TEM) images or diffraction patterns is often required to interpret their contrast and extract specimen features. This is especially true for high-resolution phase-contrast imaging of materials, but electron scattering simulations based on atomistic models are widely used in materials science and structural biology. Since electron scattering is dominated by the nuclear cores, the scattering potential is typically described by the widely applied independent atom model. This approximation is fast and fairly accurate, especially for scanning TEM (STEM) annular dark-field contrast, but it completely neglects valence bonding and its effect on the transmitting electrons. However, an emerging trend in electron microscopy is to use new instrumentation and methods to extract the maximum amount of information from each electron. This is evident in the increasing popularity of techniques such as 4D-STEM combined with ptychography in materials science, and cryogenic microcrystal electron diffraction in structural biology, where subtle differences in the scattering potential may be both measurable and contain additional insights. Thus, there is increasing interest in electron scattering simulations based on electrostatic potentials obtained from first principles, mainly via density functional theory, which was previously mainly required for holography. In this Review, we discuss the motivation and basis for these developments, survey the pioneering work that has been published thus far, and give our outlook for the future. We argue that a physically better justified ab initio description of the scattering potential is both useful and viable for an increasing number of systems, and we expect such simulations to steadily gain in popularity and importance. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000744190300006 |
Publication Date |
2021-03-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.843 |
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Call Number |
UA @ admin @ c:irua:183955 |
Serial |
6850 |
Permanent link to this record |
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Author |
Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. |
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Title |
Ab initio computation of the mean inner Coulomb potential of wurtzite-type semiconductors and gold |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
88 |
Issue |
23 |
Pages |
Artn 232108 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (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 |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000238914500031 |
Publication Date |
2006-06-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411; 2006 IF: 3.977 |
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Call Number |
UA @ lucian @ c:irua:60581 |
Serial |
33 |
Permanent link to this record |
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Author |
Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. |
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Title |
Ab initio computation of the mean inner Coulomb potential of technological important semiconductors |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
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Abbreviated Journal |
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Volume |
1007 |
Issue |
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Pages |
233-236 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
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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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0930-8989 |
ISBN |
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Additional Links |
UA library record; WoS full record; |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:72915 |
Serial |
32 |
Permanent link to this record |
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Author |
Schowalter, M.; Titantah, J.T.; Lamoen, D.; Kruse, P. |
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Title |
Ab initio computation of the mean inner Coulomb potential of amorphous carbon structures |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
86 |
Issue |
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Pages |
112102 |
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Keywords |
A1 Journal article; 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 |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000228050700042 |
Publication Date |
2005-03-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
15 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411; 2005 IF: 4.127 |
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Call Number |
UA @ lucian @ c:irua:51764 |
Serial |
31 |
Permanent link to this record |
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Author |
Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C. |
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Title |
Ab initio calculation of the interaction energy in the P2 binding pocket of HIV-1 protease |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
International Journal Of Quantum Chemistry |
Abbreviated Journal |
Int J Quantum Chem |
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Volume |
105 |
Issue |
3 |
Pages |
292-299 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
Language |
|
Wos |
000232232300009 |
Publication Date |
2005-07-18 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0020-7608;1097-461X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.92 |
Times cited |
8 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 2.92; 2005 IF: 1.192 |
|
Call Number |
UA @ lucian @ c:irua:54919 |
Serial |
30 |
Permanent link to this record |
|
|
|
|
Author |
Dadsetani, M.; Titantah, J.T.; Lamoen, D. |
|
Title |
Ab initio calculation of the energy-loss near-edge structure of some carbon allotropes: comparison with n-diamond |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Diamond and related materials |
Abbreviated Journal |
Diam Relat Mater |
|
Volume |
19 |
Issue |
1 |
Pages |
73-77 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
The energy-loss near-edge structure (ELNES) spectra of several carbon allotropes (non-hydrogenated and hydrogenated face-centered cubic (FCC) carbon, rhombohedral carbon, glitter, hexagonite and lonsdaleite) are calculated within the supercell-core-excited density functional theory approach. In particular an experimental ELNES spectrum of new diamond (n-diamond) [Konyashin et al., Diamond Relat. Mater. 10, (2001) 99102] is compared with the ELNES spectra of FCC carbon, rhombohedral carbon and the so-called glitter structure. Our calculations show that the ELNES spectrum considered in that publication cannot be that of FCC carbon. |
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Address |
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Corporate Author |
|
Thesis |
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|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000274234500013 |
Publication Date |
2009-11-12 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0925-9635; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.561 |
Times cited |
11 |
Open Access |
|
|
Notes |
Goa; Esteem 026019 |
Approved |
Most recent IF: 2.561; 2010 IF: 1.825 |
|
Call Number |
UA @ lucian @ c:irua:79444 |
Serial |
29 |
Permanent link to this record |
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|
|
|
Author |
Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. |
|
Title |
Ab initio based atomic scattering amplitudes and {002} electron structure factors of InxGa1-xAs/GaAs quantum wells |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
|
|
Volume |
209 |
Issue |
1 |
Pages |
012040,1-012040,6 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
The atomic scattering amplitudes of the various atoms of the systems Ga1−xInxAs, GaAs1−xNx and InAs1−xNx are calculated using the density functional theory (DFT) approach. The scattering amplitudes of N, Ga, As and In in the model systems are compared with the frequently used Doyle and Turner values. Deviation from the latter values is found for small scattering vectors (s<0.3Å−1) and for these scattering vectors dependence on the orientation of the scattering vector and the chemical environment is reported. We suggest a parametrization of these modified scattering amplitudes (MASAs) for small scattering vectors (s<1.0Å−1). The MASAs are exploited within zero pressure classical Metropolis Monte Carlo (MC), finite temperature calculations to investigate the effect of quantum well size on the electron {002} structure factor (SF) of Ga1−xInxAs quantum wells. |
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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 |
Bristol |
Editor |
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Language |
|
Wos |
000283739100040 |
Publication Date |
2010-02-27 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1742-6596; |
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:85760 |
Serial |
28 |
Permanent link to this record |
|
|
|
|
Author |
Moshnyaga, V.; Sudheendra, L.; Lebedev, O.I.; Koster, S.A.; Gehrke, K.; Shapoval, O.; Belenchuk, A.; Damaschke, B.; Van Tendeloo, G.; Samwer, K. |
|
Title |
A-site ordering versus electronic inhomogeneity in colossally magnetoresistive manganite films |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
Volume |
97 |
Issue |
10 |
Pages |
107205,1-4 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
|
|
Address |
|
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Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
Language |
|
Wos |
000240384300058 |
Publication Date |
2006-09-08 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
8.462 |
Times cited |
43 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 8.462; 2006 IF: 7.072 |
|
Call Number |
UA @ lucian @ c:irua:60786 |
Serial |
3029 |
Permanent link to this record |
|
|
|
|
Author |
Sudheendra, L.; Moshnyaga, V.; Lebedev, O.I.; Gehrke, K.; Belenciuc, A.; Shapoval, O.; Van Tendeloo, G.; Samwer, K. |
|
Title |
A-site ordering and stripe phases in manganite films |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Physica: B : condensed matter
T2 – International Conference on Strongly Correlated Electron Systems (SCES, 2007), MAY 13-18, 2007, Houston, TX |
Abbreviated Journal |
Physica B |
|
Volume |
403 |
Issue |
5-9 |
Pages |
1645-1646 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Insulating and metallic stripes above and below the Curie temperature, T-C, respectively, were observed by a high-resolution scanning tunneling microscopy (STM) and/or spectroscopy (STS) in A-site ordered and macroscopically strain free epitaxial La0.75Ca0.25MnO3 film grown on MgO substrate. The “insulating” stripes were found to be incommensurable to the lattice and aligned along (110) direction. Metallic stripes were commensurable with periodicity 2a(p)similar to 0.8 nm and aligned parallel to the crystallographic a/b-axis. Formation of these stripes involves competing charge, orbital, and lattice orders and is an outcome of an overlapping of electron wave functions mediated by the local lattice-strain distribution, existed even in A-site ordered film due to the difference in cation radii of La and Ca. (C) 2007 Elsevier B.V. All rights reserved. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000254689900330 |
Publication Date |
2007-11-06 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
Impact Factor |
1.386 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.386; 2008 IF: 0.822 |
|
Call Number |
UA @ lucian @ c:irua:104031 |
Serial |
26 |
Permanent link to this record |
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|
|
|
Author |
Chen, X.; Cao, S.; Ikeda, T.; Srivastava, V.; Snyder, G.J.; Schryvers, D.; James, R.D. |
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Title |
A weak compatibility condition for precipitation with application to the microstructure of PbTe-Sb2Te3 thermoelectrics |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
|
Volume |
59 |
Issue |
15 |
Pages |
6124-6132 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
Abstract |
We propose a weak condition of compatibility between phases applicable to cases exhibiting full or partial coherence and Widmanstätten microstructure. The condition is applied to the study of Sb2Te3 precipitates in a PbTe matrix in a thermoelectric alloy. The weak condition of compatibility predicts elongated precipitates lying on a cone determined by a transformation stretch tensor. Comparison of this cone with the long directions of precipitates determined by a slice-and-view method of scanning electron microscopy combined with focused ion beam sectioning shows good agreement between theory and experiment. A further study of the morphology of precipitates by the Eshelby method suggests that interfacial energy also plays a role and gives an approximate value of interfacial energy per unit area of 250 dyn cm−1. |
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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 |
Oxford |
Editor |
|
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Language |
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Wos |
000294086900026 |
Publication Date |
2011-07-22 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1359-6454; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
5.301 |
Times cited |
8 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 5.301; 2011 IF: 3.755 |
|
Call Number |
UA @ lucian @ c:irua:92388 |
Serial |
3911 |
Permanent link to this record |
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|
|
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Author |
Malesevic, A.; Kemps, R.; Zhang, L.; Erni, R.; Van Tendeloo, G.; Vanhulsel, A.; van Haesendonck, C. |
|
Title |
A versatile plasma tool for the synthesis of carbon nanotubes and few-layer graphene sheets |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Journal of optoelectronics and advanced materials |
Abbreviated Journal |
J Optoelectron Adv M |
|
Volume |
10 |
Issue |
8 |
Pages |
2052-2055 |
|
Keywords |
A1 Journal article; 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 |
Bucharest |
Editor |
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Language |
|
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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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1454-4164 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
0.449 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 0.449; 2008 IF: 0.577 |
|
Call Number |
UA @ lucian @ c:irua:70636 |
Serial |
3839 |
Permanent link to this record |
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|
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Author |
Pardoen, T.; Colla, M.-S.; Idrissi, H.; Amin-Ahmadi, B.; Wang, B.; Schryvers, D.; Bhaskar, U.K.; Raskin, J.-P. |
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Title |
A versatile lab-on-chip test platform to characterize elementary deformation mechanisms and electromechanical couplings in nanoscopic objects |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Comptes rendus : physique |
Abbreviated Journal |
Cr Phys |
|
Volume |
17 |
Issue |
17 |
Pages |
485-495 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
A nanomechanical on-chip test platform has recently been developed to deform under a variety of loading conditions freestanding thin films, ribbons and nanowires involving submicron dimensions. The lab-on-chip involves thousands of elementary test structures from which the elastic modulus, strength, strain hardening, fracture, creep properties can be extracted. The technique is amenable to in situ transmission electron microscopy (TEM) investigations to unravel the fundamental underlying deformation and fracture mechanisms that often lead to size-dependent effects in small-scale samples. The method allows addressing electrical and magnetic couplings as well in order to evaluate the impact of large mechanical stress levels on different solid-state physics phenomena. We had the chance to present this technique in details to Jacques Friedel in 2012 who, unsurprisingly, made a series of critical and very relevant suggestions. In the spirit of his legacy, the paper will address both mechanics of materials related phenomena and couplings with solids state physics issues. |
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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 |
|
Editor |
|
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Language |
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Wos |
000373524300020 |
Publication Date |
2015-12-01 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1631-0705 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.048 |
Times cited |
7 |
Open Access |
|
|
Notes |
This research has been performed with the financial support of the “Politique scientifique fédérale” under the framework of the interuniversity attraction poles program, IAP7/21, as well as with the support of the “Communauté française de Belgique” under the program “Actions de recherche concertées” ARC 05/10-330 and ARC Convention No. 11/16-037. The support of the “Fonds belge pour la recherche dans l'industrie et l'agriculture (FRIA)” for M.-S. Colla is also gratefully acknowledged as are the FWO research projects G012012N “Understanding nanocrystalline mechanical behavior from structural investigations” for B. Amin-Ahmadi. |
Approved |
Most recent IF: 2.048 |
|
Call Number |
c:irua:129995 |
Serial |
4014 |
Permanent link to this record |
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|
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Author |
Ramezanipour, F.; Greedan, J.E.; Siewenie, J.; Donaberger, R.L.; Turner, S.; Botton, G.A. |
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Title |
A vacancy-disordered, oxygen-deficient perovskite with long-range magnetic ordering : local and average structures and magnetic properties of Sr2Fe1.5Cr0.5O5 |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
|
Volume |
51 |
Issue |
4 |
Pages |
2638-2644 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
The local and average crystal structures and magnetic properties of the oxygen-deficient perovskite Sr2Fe1.5Cr0.5O5+y were studied using powder X-ray and neutron diffraction, neutron-pair distribution function analysis, and electron energy-loss spectroscopy. This material crystallizes in the cubic Pm3̅m space group, with a = 3.94491(14) Å. The oxygen vacancies are distributed randomly throughout the perovskite-type structure, and the average coordination number of the Fe(Cr) sites is 5. Refinement of the neutron diffraction data indicates y 0.05. This is in discordance with an earlier report on a material with the same nominal composition and cell constant. Electron energy-loss Cr L2,3-edge spectroscopy shows that Cr3+ is present, which is also contrary to previous speculation. Neutron-pair distribution function studies show that a brownmillerite-like model involving ordered vacancies and alternating octahedral and tetrahedral coordination at the metal sites, gives a better description of the local structure out to 5 Å. A remarkable phenomenon determined by neutron diffraction in Sr2Fe1.5Cr0.5O5 is the occurrence of a long-range G-type antiferromagnetic ordering with Tc ≈ 565 K because cubic oxygen-deficient perovskites with B-site disorder usually do not undergo transitions to magnetically ordered states. The observation of long-range antiferromagnetic order and the Tc value are in accordance with previous Mössbauer spectroscopic studies. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
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Language |
|
Wos |
000300466300079 |
Publication Date |
2012-01-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.857 |
Times cited |
12 |
Open Access |
|
|
Notes |
Fwo |
Approved |
Most recent IF: 4.857; 2012 IF: 4.593 |
|
Call Number |
UA @ lucian @ c:irua:95039 |
Serial |
3828 |
Permanent link to this record |
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|
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Author |
Yuan, S.; Pu, Z.; Zhou, H.; Yu, J.; Amiinu, I.S.; Zhu, J.; Liang, Q.; Yang, J.; He, D.; Hu, Z.; Van Tendeloo, G.; Mu, S. |
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Title |
A universal synthesis strategy for single atom dispersed cobalt/metal clusters heterostructure boosting hydrogen evolution catalysis at all pH values |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Nano energy |
Abbreviated Journal |
Nano Energy |
|
Volume |
59 |
Issue |
59 |
Pages |
472-480 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
Abstract |
The development of a stable, efficient and economic catalyst for hydrogen evolution reaction (HER) of water splitting is one of the most hopeful approaches to confront the environmental and energy crisis. A two-step method is employed to obtain metal clusters (Ru, N, Pd etc.) combining single cobalt atoms anchored on nitrogen-doped carbon (Ru/Pt/Pd@Co-SAs/N-C). Based on the synergistic effect between Ru clusters and single cobalt atoms, Ru@Co-SAs/N-C exhibits an outstanding HER electrocatalytic activity. Specifically, Ru@Co-SAs/N-C only needs 7 mV overpotential at 10 mA cm(-2) in 1 M KOH solution, which is much better than commercial 20 wt% PVC (40 mV) catalyst. Density functional theory (DFT) calculations further reveal the synergy effect between surface Ru nanoclusters and Co-SAs/N-C toward hydrogen adsorption for HER. Additionally, Ru@CoSAs/N-C also exhibits excellent catalytic ability and durability under acidic and neutral media. The present study opens a new avenue towards the design of metal clusters/single cobalt atoms heterostructures with outstanding performance toward HER and beyond. |
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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 |
|
Editor |
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Language |
|
Wos |
000463032200051 |
Publication Date |
2019-02-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
2211-2855 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
12.343 |
Times cited |
33 |
Open Access |
Not_Open_Access: Available from 01.11.2019
|
|
Notes |
; S.Y., Z.P. and H.Z. contributed equally to this work. This work was financed by the National Natural Science Foundation of China (Grant No. 51372186, 51672204, 51701146) and the Fundamental Research Funds for the Central Universities (WUT: 2017III055, 2018III039GX, 2018IVA095). We express heartfelt thanks to Prof. Gaoke Zhang for the supply of computational resources in the School of Resources and Environmental Engineering, Wuhan University of Technology. ; |
Approved |
Most recent IF: 12.343 |
|
Call Number |
UA @ admin @ c:irua:159330 |
Serial |
5240 |
Permanent link to this record |
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Author |
Conings, B.; Babayigit, A.; Klug, M. T.; Bai, S.; Gauquelin, N.; Sakai, N.; Wang, J. T.-W.; Verbeeck, J.; Boyen, H.-G. |
|
Title |
A Universal Deposition Protocol for Planar Heterojunction Solar Cells with High Efficiency Based on Hybrid Lead Halide Perovskite Families |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
|
Volume |
28 |
Issue |
28 |
Pages |
10701-10709 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
Abstract |
A robust and expedient gas quenching method is developed for the solution deposition of hybrid perovskite thin films. The method offers a reliable standard practice for the fabrication of a non-exhaustive variety of perovskites exhibiting excellent film morphology and commensurate high performance in both regular and inverted structured solar cell architectures. |
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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 |
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Editor |
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Language |
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Wos |
000392728200014 |
Publication Date |
2016-10-17 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1521-4095 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
19.791 |
Times cited |
95 |
Open Access |
|
|
Notes |
This work was financially supported by BOF (Hasselt University) and the Research Fund Flanders (FWO). B.C. is a postdoctoral research fellow of the FWO. A.B. is financially supported by Imec and FWO. M.T.K. acknowledges funding from the EPSRC project EP/M024881/1 “Organic-inorganic Perovskite Hybrid Tandem Solar Cells”. S.B. is a VINNMER Fellow and Marie Skłodowska-Curie Fellow. J.V. and N.G. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp and FWO project G.0044.13N “Charge ordering”. The Qu-Ant-EM microscope used for this study was partly funded by the Hercules fund from the Flemish Government. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. The authors thank Johnny Baccus and Jan Mertens for technical support.; ECASJO_; |
Approved |
Most recent IF: 19.791; 2016 IF: NA |
|
Call Number |
EMAT @ emat @ c:irua:138597 |
Serial |
4318 |
Permanent link to this record |
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Author |
Zhang, Z.; Ma, L.N.; Liao, X.Z.; van Landuyt, J. |
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Title |
A transmission electron-microscopy study of crystalline surface domains on al-co decagonal quasi-crystals and the \tau2-Al13CO4 approximant |
Type |
A1 Journal article |
|
Year |
1994 |
Publication |
Philosophical magazine letters |
Abbreviated Journal |
Phil Mag Lett |
|
Volume |
70 |
Issue |
5 |
Pages |
303-310 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Twin-domains of a b.c.c. crystalline phase with a = 0.29 nm have been found in a surface layer on surfaces of Al-Co decagonal quasicrystals and the coexisting tau(2)-Al13Co4 crystalline approximant. These surface layer domains are introduced during the preparation of electron microscopy thin films by ion milling. |
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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 |
London |
Editor |
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Language |
|
Wos |
A1994PQ20900008 |
Publication Date |
2007-07-08 |
|
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0950-0839;1362-3036; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.087 |
Times cited |
4 |
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:99816 |
Serial |
3715 |
Permanent link to this record |
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|
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Author |
Zhang, Z.; Geng, W.; van Landuyt, J.; Van Tendeloo, G. |
|
Title |
A transmission electron microscopy study of tweed-like structures in Al62Cu17.5CO17.5Si3 decagonal quasicrystals |
Type |
A1 Journal article |
|
Year |
1995 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
|
|
Volume |
71 |
Issue |
5 |
Pages |
1177-1189 |
|
Keywords |
A1 Journal article; 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 |
London |
Editor |
|
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Language |
|
Wos |
A1995QW79500016 |
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0141-8610; 1364-2804 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
7 |
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:13296 |
Serial |
3721 |
Permanent link to this record |
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|
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Author |
Smolders, S.; Willhammar, T.; Krajnc, A.; Şentosun, K.; Wharmby, M.T.; Lomachenko, K.A.; Bals, S.; Mali, G.; Roeffaers, M.B.J.; De Vos, D.E.; Bueken, B. |
|
Title |
A titanium(IV)-based metal-organic framework featuring defect-rich Ti-O sheets as an oxidative desulfurization catalyst |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
|
Volume |
58 |
Issue |
58 |
Pages |
9160-9165 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
While titanium-based metal-organic frameworks (MOFs) have been widely studied for their (photo) catalytic potential, only a few Ti-IV MOFs have been reported owing to the high reactivity of the employed titanium precursors. The synthesis of COK-47 is now presented, the first Ti carboxylate MOF based on sheets of (TiO6)-O-IV octahedra, which can be synthesized with a range of different linkers. COK-47 can be synthesized as an inherently defective nanoparticulate material, rendering it a highly efficient catalyst for the oxidation of thiophenes. Its structure was determined by continuous rotation electron diffraction and studied in depth by X-ray total scattering, EXAFS, and solid-state NMR. Furthermore, its photoactivity was investigated by electron paramagnetic resonance and demonstrated by catalytic photodegradation of rhodamine 6G. |
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Address |
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Corporate Author |
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Thesis |
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|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000476691200034 |
Publication Date |
2019-05-06 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1433-7851; 0570-0833 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
97 |
Open Access |
Not_Open_Access |
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Notes |
; S.S., B.B., and D.E.D.V. gratefully acknowledge the FWO for funding (Aspirant grant, postdoctoral grant, project funding). T.W. acknowledges a grant from the Swedish research council (VR, 2014-06948). He acknowledges financial support from the Knut and Alice Wallenberg Foundation through the project grant 3DEM-NATUR (no. 2012.0112) as well as for purchasing the TEMs. A.K. and G.M. acknowledge the financial support from the Slovenian Research Agency (research core funding No. P1-0021 and project No. N1-0079). We thank beamline I15-1 (XPDF), Diamond Light Source, for collection of X-ray total scattering data as part of the in-house research program (M.T.W.). A. Venier and O. Mathon are kindly acknowledged for the help during the XAS experiment at BM23 beamline of ESRF. We thank C. Lamberti and L. Braglia for providing the reference EXAFS spectrum of anatase. ; |
Approved |
Most recent IF: 11.994 |
|
Call Number |
UA @ admin @ c:irua:161932 |
Serial |
5382 |
Permanent link to this record |
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Author |
Goessens, C.; Schryvers, D.; van Landuyt, J.; Geuens, I.; Gijbels, R.; Jacob, W.; de Keyzer, R. |
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Title |
A temperature study of mixed AgBr-AgBrI tabular crystals |
Type |
H1 Book chapter |
|
Year |
1995 |
Publication |
|
Abbreviated Journal |
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|
Volume |
|
Issue |
|
Pages |
70-76 |
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Keywords |
H1 Book chapter; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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 |
Hawaii |
Editor |
|
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Language |
|
Wos |
A1995RY19900011 |
Publication Date |
0000-00-00 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
39 |
Series Issue |
1 |
Edition |
|
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
3 |
Open Access |
|
|
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
|
Call Number |
UA @ lucian @ c:irua:8459 |
Serial |
3501 |
Permanent link to this record |
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|
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Author |
Goessens, C.; Schryvers, D.; van Landuyt, J.; Geuens, I.; Gijbels, R.; Jacob, W.; de Keyzer, R. |
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Title |
A temperature study of mixed AgBr-AgBrI tabular crystals |
Type |
P3 Proceeding |
|
Year |
1992 |
Publication |
|
Abbreviated Journal |
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|
Volume |
|
Issue |
|
Pages |
36-39 |
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Keywords |
P3 Proceeding; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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 |
Hawaii |
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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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
|
ISSN |
|
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
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Call Number |
UA @ lucian @ c:irua:4201 |
Serial |
3502 |
Permanent link to this record |
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|
|
|
Author |
van Renterghem, W.; Schryvers, D.; van Landuyt, J.; Bollen, D.; van Roost, C.; de Keyzer, R. |
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Title |
A TEM study of non-parallel twins inducing thickness growth in silver chloride {111} tabular crystals |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
The journal of imaging science and technology |
Abbreviated Journal |
J Imaging Sci Techn |
|
Volume |
45 |
Issue |
|
Pages |
83-90 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
|
|
Address |
|
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Springfield, Va |
Editor |
|
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Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1062-3701 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.348 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 0.348; 2001 IF: NA |
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Call Number |
UA @ lucian @ c:irua:48380 |
Serial |
3490 |
Permanent link to this record |
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Author |
Fredrickx, P.; Helary, D.; Schryvers, D.; Darque-Ceretti, E. |
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Title |
A TEM study of nanoparticles in lustre glazes |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Applied physics A : materials science & processing |
Abbreviated Journal |
Appl Phys A-Mater |
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Volume |
79 |
Issue |
|
Pages |
283-288 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
|
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Heidelberg |
Editor |
|
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Language |
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Wos |
000222008800021 |
Publication Date |
2004-05-11 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0947-8396;1432-0630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.455 |
Times cited |
16 |
Open Access |
|
|
Notes |
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Approved |
Most recent IF: 1.455; 2004 IF: 1.452 |
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Call Number |
UA @ lucian @ c:irua:48780 |
Serial |
3489 |
Permanent link to this record |
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Author |
Titantah, J.T.; Lamoen, D. |
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Title |
A technique for the sp2/sp3 characterization of carbon materials |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Physica status solidi: A: applied research |
Abbreviated Journal |
Phys Status Solidi A |
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Volume |
201 |
Issue |
|
Pages |
2492 |
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Keywords |
A1 Journal article; 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 |
Berlin |
Editor |
|
|
Language |
|
Wos |
000224152700019 |
Publication Date |
2004-09-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
0031-8965;1521-396X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
2 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:49656 |
Serial |
3472 |
Permanent link to this record |