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Records |
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Author |
De Backer, A.; van den Bos, K.H.W.; Van den Broek, W.; Sijbers, J.; Van Aert, S. |
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Title |
StatSTEM: An efficient approach for accurate and precise model-based quantification of atomic resolution electron microscopy images |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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| |
Volume |
171 |
Issue |
171 |
Pages |
104-116 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
An efficient model-based estimation algorithm is introduced to quantify the atomic column positions and intensities from atomic resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for overlap between neighbouring columns, enabling the analysis of a large field of view. For this algorithm, the accuracy and precision with which measurements for the atomic column positions and scattering cross-sections from annular dark field (ADF) STEM images can be estimated, has been investigated. The highest attainable precision is reached even for low dose images. Furthermore, the advantages of the model-based approach taking into account overlap between neighbouring columns are highlighted. This is done for the estimation of the distance between two neighbouring columns as a function of their distance and for the estimation of the scattering cross-section which is compared to the integrated intensity from a Voronoi cell. To provide end-users this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license. |
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Thesis  |
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Place of Publication |
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Wos |
000389106200014 |
Publication Date |
2016-09-09 |
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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 |
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 |
43 |
Open Access |
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Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0393.11, G.0064.10 and G.0374.13), a Ph.D. research grant to K.H.W. van den Bos, and a postdoctoral research grant to A. De Backer. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative-I3). A. Rosenauer is acknowledged for providing the STEMsim program.; esteem2_jra2 |
Approved |
Most recent IF: 2.843 |
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Call Number |
EMAT @ emat @ c:irua:135516 |
Serial |
4280 |
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Author |
Zhong, R.; Peng, L.; de Clippel, F.; Gommes, C.; Goderis, B.; Ke, X.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. |
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Title |
An eco-friendly soft template synthesis of mesostructured silica-carbon nanocomposites for acid catalysis |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
ChemCatChem |
Abbreviated Journal |
Chemcatchem |
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Volume |
7 |
Issue |
7 |
Pages |
3047-3058 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The synthesis of ordered mesoporous silica-carbon composites was explored by employing TEOS and sucrose as the silica and carbon precursor respectively, and the triblock copolymer F127 as a structure-directing agent via an evaporation-induced self-assembly (EISA) process. It is demonstrated that the synthesis procedures allow for control of the textural properties and final composition of these silica-carbon nanocomposites via adjustment of the effective SiO2/C weight ratio. Characterization by SAXS, N-2 physisorption, HRTEM, TGA, and C-13 and Si-29 solid-state MAS NMR show a 2D hexagonal mesostructure with uniform large pore size ranging from 5.2 to 7.6nm, comprising of separate carbon phases in a continuous silica phase. Ordered mesoporous silica and non-ordered porous carbon can be obtained by combustion of the pyrolyzed nanocomposites in air or etching with HF solution, respectively. Sulfonic acid groups can be readily introduced to such kind of silica-carbon nanocomposites by a standard sulfonation procedure with concentrated sulfuric acid. Excellent acid-catalytic activities and selectivities for the dimerization of styrene to produce 1,3-diphenyl-1-butene and dimerization of -methylstyrene to unsaturated dimers were demonstrated with the sulfonated materials. |
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Place of Publication |
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Wos |
000361189400037 |
Publication Date |
2015-09-03 |
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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 |
1867-3880; 1867-3899 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.803 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.803; 2015 IF: 4.556 |
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Call Number |
UA @ lucian @ c:irua:127836 |
Serial |
4138 |
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Author |
Kurttepeli, M. |
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Title |
Carbon based materials and hybrid nanostructures investigated by advanced transmission electron microscopy |
Type |
Doctoral thesis |
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Year |
2015 |
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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Antwerpen |
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Additional Links |
UA library 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:130502 |
Serial |
4145 |
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Author |
Van Aelst, J.; Verboekend, D.; Philippaerts, A.; Nuttens, N.; Kurttepeli, M.; Gobechiya, E.; Haouas, M.; Sree, S.P.; Denayer, J.F.M.; Martens, J.A.; Kirschhock, C.E.A.; Taulelle, F.; Bals, S.; Baron, G.V.; Jacobs, P.A.; Sels, B.F. |
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Title |
Catalyst design by NH4OH treatment of USY zeolite |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
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Volume |
25 |
Issue |
25 |
Pages |
7130-7144 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Hierarchical zeolites are a class of superior catalysts which couples the intrinsic zeolitic properties to enhanced accessibility and intracrystalline mass transport to and from the active sites. The design of hierarchical USY (Ultra-Stable Y) catalysts is achieved using a sustainable postsynthetic room temperature treatment with mildly alkaline NH4OH ( 0.02(M)) solutions. Starting from a commercial dealuminated USY zeolite (Si/Al = 47), a hierarchical material is obtained by selective and tuneable creation of interconnected and accessible small mesopores (2- 6 nm). In addition, the treatment immediately yields the NH4+ form without the need for additional ion exchange. After NH4OH modification, the crystal morphology is retained, whereas the microporosity and relative crystallinity are decreased. The gradual formation of dense amorphous phases throughout the crystal without significant framework atom leaching rationalizes the very high material yields (>90%). The superior catalytic performance of the developed hierarchical zeolites is demonstrated in the acid-catalyzed isomerization of alpha-pinene and the metal-catalyzed conjugation of safflower oil. Significant improvements in activity and selectivity are attained, as well as a lowered susceptibility to deactivation. The catalytic performance is intimately related to the introduced mesopores, hence enhanced mass transport capacity, and the retained intrinsic zeolitic properties. |
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Corporate Author |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000366503700003 |
Publication Date |
2015-10-30 |
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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 |
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Series Issue |
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Edition |
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ISSN |
1616-301x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
64 |
Open Access |
OpenAccess |
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Notes |
; The authors thank Dr. M. Thommes and Dr. K. Cychosz for numerous and helpful discussions on the correct evaluation of the Ar isotherms. I. Cuppens is acknowledged for ICP-AES analyses. Research was funded through a PhD grant to J.V.A. of the Agency for Innovation by Science and Technology in Flanders (IWT). D.V. and A.P. acknowledge F.W.O.-Vlaanderen (Research Foundation Flanders) for a postdoctoral fellowship. N.N. thanks the KU Leuven for financial support (FLOF). E.G., C.K., and J.M. acknowledge the long-term structural funding by the Flemish Government (Methusalem). S.B. acknowledges the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement No. 335078-COLOURATOMS. The authors are grateful for financial support by the Belgian government through Interuniversity Attraction Poles (IAP-PAI). They also thank Oleon NV for supplying safflower oil. ; ecas_Sara |
Approved |
Most recent IF: 12.124; 2015 IF: 11.805 |
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Call Number |
UA @ lucian @ c:irua:130214 |
Serial |
4147 |
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Author |
Chinchilla, L.E.; Olmos, C.; Kurttepeli, M.; Bals, S.; Van Tendeloo, G.; Villa, A.; Prati, L.; Blanco, G.; Calvino, J.J.; Chen, X.; Hungría, A.B. |
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Title |
Combined macroscopic, nanoscopic, and atomic-scale characterization of gold-ruthenium bimetallic catalysts for octanol oxidation |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Particle and particle systems characterization |
Abbreviated Journal |
Part Part Syst Char |
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Volume |
33 |
Issue |
33 |
Pages |
419-437 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
A series of gold-ruthenium bimetallic catalysts of increasing Au:Ru molar ratios supported on a Ce0.62Zr0.38O2 mixed oxide are prepared and their structural and chemical features characterized by a combination of macroscopic and atomic-scale techniques based on scanning transmission electron microscopy. The influence of the temperature of the final reduction treatment used as activation step (350-700 degrees C range) is also investigated. The preparation method used allows catalysts to be successfully prepared where a major fraction of the metal nanoparticles is in the size range below 5 nm. The structural complexities characteristic of this type of catalysts are evidenced, as well as the capabilities and limitations of both the macroscopic and microscopic techniques in the characterization of the system of metal nanoparticles. A positive influence of the addition of Ru on both the resistance against sintering and the catalytic performance of the starting supported Au catalyst is evidenced. |
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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 |
Weinheim |
Editor |
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Language |
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Wos |
000379970000011 |
Publication Date |
2016-05-24 |
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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 |
0934-0866 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.474 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
; This work was supported by the Ministry of Science and Innovation of Spain/ FEDER Program of the EU (Project Nos.: MAT 2013-40823-R and CSD2009-00013), ESTEEM2 (FP7-INFRASTUCTURE-2012-1-312493), Junta de Andalucia (FQM334 and FQM110 and Project: FQM3994). S.B. acknowledges the European Research Council, ERC grant No. 335078 – Colouratom. M.K. is grateful to the Fund for Scientific Research Flanders. X.C. thanks the Ramon y Cajal Program. ; ecas_sara |
Approved |
Most recent IF: 4.474 |
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Call Number |
UA @ lucian @ c:irua:134958 |
Serial |
4150 |
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Author |
Semkina, A.; Abakumov, M.; Grinenko, N.; Abakumov, A.; Skorikov, A.; Mironova, E.; Davydova, G.; Majouga, A.G.; Nukolova, N.; Kabanov, A.; Chekhonin, V.; |
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Title |
Core-shell-corona doxorubicin-loaded superparamagnetic Fe3O4 nanoparticles for cancer theranostics |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Colloids and surfaces: B : biointerfaces |
Abbreviated Journal |
Colloid Surface B |
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Volume |
136 |
Issue |
136 |
Pages |
1073-1080 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Superparamagnetic iron oxide magnetic nanoparticles (MNPs) are successfully used as contrast agents in magnetic-resonance imaging. They can be easily functionalized for drug delivery functions, demonstrating great potential for both imaging and therapeutic applications. Here we developed new pH-responsive theranostic core-shell-corona nanoparticles consisting of superparamagentic Fe3O4 core that displays high T2 relaxivity, bovine serum albumin (BSA) shell that binds anticancer drug, doxorubicin (Dox) and poly(ethylene glycol) (PEG) corona that increases stability and biocompatibility. The nanoparticles were produced by adsorption of the BSA shell onto the Fe3O4 core followed by crosslinking of the protein layer and subsequent grafting of the PEG corona using monoamino-terminated PEG via carbodiimide chemistry. The hydrodynamic diameter, zeta-potential, composition and T2 relaxivity of the resulting nanoparticles were characterized using transmission electron microscopy, dynamic light scattering, thermogravimetric analysis and T2-relaxometry. Nanoparticles were shown to absorb Dox molecules, possibly through a combination of electrostatic and hydrophobic interactions. The loading capacity (LC) of the nanoparticles was 8 wt.%. The Dox loaded nanoparticles release the drug at a higher rate at pH 5.5 compared to pH 7.4 and display similar cytotoxicity against C6 and HEK293 cells as the free Dox. (C) 2015 Elsevier B.V. All rights reserved. |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000367408100131 |
Publication Date |
2015-11-10 |
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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 |
0927-7765 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.887 |
Times cited |
37 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.887; 2015 IF: 4.152 |
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Call Number |
UA @ lucian @ c:irua:131075 |
Serial |
4157 |
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Author |
Dharanipragada, N.V.R.A.; Meledina, M.; Galvita, V.V.; Poelman, H.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B. |
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Title |
Deactivation study of Fe2O3-CeO2 during redox cycles for CO production from CO2 |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Industrial and engineering chemistry research |
Abbreviated Journal |
Ind Eng Chem Res |
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Volume |
55 |
Issue |
55 |
Pages |
5911-5922 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Deactivation was investigated in Fe2O3-CeO2 oxygen storage materials during repeated H-2-reduction and CO2-reoxidation. In situ XRD, XAS, and TEM were used to identify phases, crystallite sizes, and morphological changes upon cycling operation. The effect of redox cycling was investigated both in Fe-rich (80 wt % Fe2O3-CeO2) and Ce-rich (10 wt %Fe2O3-CeO2) materials. The former consisted of 100 nm Fe2O3 particles decorated with 5-10 nm Ce1-xFexO2-x. The latter presented CeO2 with incorporated Fe, i.e. a solid solution of Ce1-xFexO2-x, as the main oxygen carrier. By modeling the EXAFS Ce-K signal for as-prepared 10 wt %Fe2O3-CeO2, the amount of Fe in CeO2 was determined as 21 mol %, corresponding to 86% of the total iron content. Sintering and solid solid transformations, the latter including both new phase formation and element segregation, were identified as deactivation pathways upon redox cycling. In Ce-rich material, perovskite (CeFeO3) was identified by XRD. This phase remained inert during reduction and reoxidation, resulting in an overall lower oxygen storage capacity. Further, Fe segregated from the solid solution, thereby decreasing its reducibility. In addition, an increase in crystallite size occurred for all phases. In Fe-rich material, sintering is the main deactivation pathway, although Fe segregation from the solid solution and perovskite formation cannot be excluded. |
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Place of Publication |
Washington, D.C. |
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Language |
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Wos |
000376825300013 |
Publication Date |
2016-04-22 |
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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 |
0888-5885; 1520-5045 |
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 |
26 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.843 |
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Call Number |
UA @ lucian @ c:irua:134214 |
Serial |
4158 |
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Author |
Lemoine, G.; Delannay, L.; Idrissi, H.; Colla, M.-S.; Pardoen, T. |
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Title |
Dislocation and back stress dominated viscoplasticity in freestanding sub-micron Pd films |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
111 |
Issue |
111 |
Pages |
10-21 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
A dislocation-based crystal plasticity model is developed in order to study the mechanical and creep/ relaxation behaviour of polycrystalline metallic thin films. The model accounts for the confinement of plasticity due to grain boundaries and for the anisotropy of individual grains, as well as for the significant viscoplastic effects associated to dislocation dominated thermally activated mechanisms. Numerical predictions are assessed based on experimental tensile test followed by relaxation on freestanding Pd films, based on an on-chip test technique. The dislocation-based mechanism assumption captures all the experimental trends, including the stress strain response, the relaxation behaviour and the dislocation density evolution, confirming the dominance of a dislocation driven deformation mechanism for the present Pd films with high defects density. The model has also been used to address some original experimental evidences involving back stresses, Bauschinger effect, backward creep and strain recovery. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000375812100002 |
Publication Date |
2016-03-26 |
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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 |
1359-6454 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.301 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.301 |
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Call Number |
UA @ lucian @ c:irua:133636 |
Serial |
4162 |
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Author |
Martinez, G.T.; van den Bos, K.H.W.; Alania, M.; Nellist, P.D.; Van Aert, S. |
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Title |
Thickness dependence of scattering cross-sections in quantitative scanning transmission electron microscopy |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
187 |
Issue |
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Pages |
84-92 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In quantitative scanning transmission electron microscopy (STEM), scattering cross-sections have been shown to be very sensitive to the number of atoms in a column and its composition. They correspond to the integrated intensity over the atomic column and they outperform other measures. As compared to atomic column peak intensities, which saturate at a given thickness, scattering cross-sections increase monotonically. A study of the electron wave propagation is presented to explain the sensitivity of the scattering cross-sections. Based on the multislice algorithm, we analyse the wave propagation inside the crystal and its link to the scattered signal for the different probe positions contained in the scattering cross-section for detector collection in the low-, middle- and high-angle regimes. The influence to the signal from scattering of neighbouring columns is also discussed. |
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Place of Publication |
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Wos |
000428131200011 |
Publication Date |
2018-01-31 |
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Series Editor |
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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 |
4 |
Open Access |
Not_Open_Access: Available from 01.02.2020
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Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings ( G.0374.13N , G.0369.15N , G.0368.15N and WO.010.16N ) and a PhD grant to K.H.W.v.d.B. The research leading to these results has received funding from the European Union 7th Framework Programme [ FP7 /2007-2013] under Grant agreement no. 312483 (ESTEEM2). The authors are grateful to A. Rosenauer for providing access to the StemSim software. |
Approved |
Most recent IF: 2.843 |
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Call Number |
EMAT @ emat @c:irua:149384 |
Serial |
4809 |
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Author |
Van Boxem, R. |
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Title |
Electron vortex beams : an in-depth theoretical study |
Type |
Doctoral thesis |
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Year |
2015 |
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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Antwerpen |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:132968 |
Serial |
4168 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Liao, Z.L.; Green, R.J.; Gauquelin, N.; Gonnissen, J.; Van Aert, S.; Verbeeck, J.; et al. |
|
| |
Title |
Engineering properties by long range symmetry propagation initiated at perovskite heterostructure interface |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
|
| |
Volume |
|
Issue |
|
Pages |
1-25 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
In epitaxial thin film systems, the crystal structure and its symmetry deviate from the bulk counterpart due to various mechanisms such as epitaxial strain and interfacial structural coupling, which induce an accompanying change in their properties. In perovskite materials, the crystal symmetry can be described by rotations of 6-fold coordinated transition metal oxygen octahedra, which are found to be altered at interfaces. Here, we unravel how the local oxygen octahedral coupling (OOC) at perovskite heterostructural interfaces initiates a different symmetry in epitaxial films and provide design rules to induce various symmetries in thin films by careful selecting appropriate combinations of substrate/buffer/film. Very interestingly we discovered that these combinations lead to symmetry changes throughout the full thickness of the film. Our results provide a deep insight into understanding the origin of induced crystal symmetry in a perovskite heterostructure and an intelligent route to achieve unique functional properties. |
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| |
Address |
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Corporate Author |
|
Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1616-301x |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
12.124 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 12.124 |
|
| |
Call Number |
UA @ lucian @ c:irua:134842 |
Serial |
4176 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Lebedev, O.I.; Turner, S.; Caignaert, V.; Cherepanov, V.A.; Raveau, B. |
|
| |
Title |
Exceptional layered ordering of cobalt and iron in perovskites |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
| |
Volume |
28 |
Issue |
28 |
Pages |
2907-2911 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000375810400005 |
Publication Date |
2016-04-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
9.466 |
Times cited |
4 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 9.466 |
|
| |
Call Number |
UA @ lucian @ c:irua:133640 |
Serial |
4178 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Guzzinati, G. |
|
| |
Title |
Exploring electron beam shaping in transmission electron microscopy |
Type |
Doctoral thesis |
| |
Year |
2015 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
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 |
|
Place of Publication |
Antwerpen |
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
|
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| |
Series Editor |
|
Series Title |
|
Abbreviated 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:130499 |
Serial |
4180 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Calizzi, M.; Venturi, F.; Ponthieu, M.; Cuevas, F.; Morandi, V.; Perkisas, T.; Bals, S.; Pasquini, L. |
|
| |
Title |
Gas-phase synthesis of Mg-Ti nanoparticles for solid-state hydrogen storage |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
|
| |
Volume |
18 |
Issue |
18 |
Pages |
141-148 |
|
| |
Keywords |
A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Mg-Ti nanostructured samples with different Ti contents were prepared via compaction of nanoparticles grown by inert gas condensation with independent Mg and Ti vapour sources. The growth set-up offered the option to perform in situ hydrogen absorption before compaction. Structural and morphological characterisation was carried out by X-ray diffraction, energy dispersive spectroscopy and electron microscopy. The formation of an extended metastable solid solution of Ti in hcp Mg was detected up to 15 at% Ti in the as-grown nanoparticles, while after in situ hydrogen absorption, phase separation between MgH2 and TiH2 was observed. At a Ti content of 22 at%, a metastable Mg-Ti-H fcc phase was observed after in situ hydrogen absorption. The co-evaporation of Mg and Ti inhibited nanoparticle coalescence and crystallite growth in comparison with the evaporation of Mg only. In situ hydrogen absorption was beneficial to subsequent hydrogen behaviour, studied by high pressure differential scanning calorimetry and isothermal kinetics. A transformed fraction of 90% was reached within 100 s at 300 degrees C during both hydrogen absorption and desorption. The enthalpy of hydride formation was not observed to differ from bulk MgH2. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
|
| |
Language |
|
Wos |
000368755500014 |
Publication Date |
2015-11-05 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1463-9076 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.123 |
Times cited |
31 |
Open Access |
Not_Open_Access |
|
| |
Notes |
; Part of this work was supported by the COST Action MP1103 “Nanostructured materials for solid-state hydrogen storage”. ; |
Approved |
Most recent IF: 4.123 |
|
| |
Call Number |
UA @ lucian @ c:irua:131589 |
Serial |
4184 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Li, M.R.; Retuerto, M.; Deng, Z.; Stephens, P.W.; Croft, M.; Huang, Q.; Wu, H.; Deng, X.; Kotliar, G.; Sánchez-Benítez, J.; Hadermann, J.; Walker, D.; Greenblatt, M.; |
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| |
Title |
Giant magnetoresistance in the half-metallic double-perovskite ferrimagnet Mn2FeReO6 |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
|
| |
Volume |
54 |
Issue |
54 |
Pages |
12069-12073 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The first transition-metal-only double perovskite compound, Mn2+ Fe-2(3+) Re5+ O-6, with 17 unpaired d electrons displays ferrimagnetic ordering up to 520K and a giant positive magnetoresistance of up to 220% at 5K and 8 T. These properties result from the ferrimagnetically coupled Fe and Re sublattice and are affected by a two-to-one magnetic-structure transition of the Mn sublattice when a magnetic field is applied. Theoretical calculations indicate that the half-metallic state can be mainly attributed to the spin polarization of the Fe and Re sites. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
|
| |
Language |
|
Wos |
000363396000031 |
Publication Date |
2015-08-01 |
|
| |
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 |
|
| |
Impact Factor |
11.994 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 11.994; 2015 IF: 11.261 |
|
| |
Call Number |
UA @ lucian @ c:irua:129457 |
Serial |
4186 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Neubert, S.; Mitoraj, D.; Shevlin, S.A.; Pulisova, P.; Heimann, M.; Du, Y.; Goh, G.K.L.; Pacia, M.; Kruczała, K.; Turner, S.; Macyk, W.; Guo, Z.X.; Hocking, R.K.; Beranek, R.; |
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| |
Title |
Highly efficient rutile TiO2 photocatalysts with single Cu(II) and Fe(III) surface catalytic sites |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
|
| |
Volume |
4 |
Issue |
4 |
Pages |
3127-3138 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Highly active photocatalysts were obtained by impregnation of nanocrystalline rutile TiO2 powders with small amounts of Cu(II) and Fe(III) ions, resulting in the enhancement of initial rates of photocatalytic degradation of 4-chlorophenol in water by factors of 7 and 4, compared to pristine rutile, respectively. Detailed structural analysis by EPR and X-ray absorption spectroscopy (EXAFS) revealed that Cu(II) and Fe(III) are present as single species on the rutile surface. The mechanism of the photoactivity enhancement was elucidated by a combination of DFT calculations and detailed experimental mechanistic studies including photoluminescence measurements, photocatalytic experiments using scavengers, OH radical detection, and photopotential transient measurements. The results demonstrate that the single Cu(II) and Fe(III) ions act as effective cocatalytic sites, enhancing the charge separation, catalyzing “dark” redox reactions at the interface, thus improving the normally very low quantum yields of UV light-activated TiO2 photocatalysts. The exact mechanism of the photoactivity enhancement differs depending on the nature of the cocatalyst. Cu(II)-decorated samples exhibit fast transfer of photogenerated electrons to Cu(II/I) sites, followed by enhanced catalysis of dioxygen reduction, resulting in improved charge separation and higher photocatalytic degradation rates. At Fe(III)-modified rutile the rate of dioxygen reduction is not improved and the photocatalytic enhancement is attributed to higher production of highly oxidizing hydroxyl radicals produced by alternative oxygen reduction pathways opened by the presence of catalytic Fe(III/II) sites. Importantly, it was demonstrated that excessive heat treatment (at 450 degrees C) of photocatalysts leads to loss of activity due to migration of Cu(II) and Fe(III) ions from TiO2 surface to the bulk, accompanied by formation of oxygen vacancies. The demonstrated variety of mechanisms of photoactivity enhancement at single site catalyst-modified photocatalysts holds promise for developing further tailored photocatalysts for various applications. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
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| |
Language |
|
Wos |
000371077300040 |
Publication Date |
2015-12-30 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
8.867 |
Times cited |
44 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 8.867 |
|
| |
Call Number |
UA @ lucian @ c:irua:132322 |
Serial |
4191 |
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| Permanent link to this record |
| |
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| |
|
Author |
Roesler, C.; Aijaz, A.; Turner, S.; Filippousi, M.; Shahabi, A.; Xia, W.; Van Tendeloo, G.; Muhler, M.; Fischer, R.A. |
|
| |
Title |
Hollow Zn/Co Zeolitic Imidazolate Framework (ZIF) and Yolk-Shell Metal@Zn/Co ZIF nanostructures |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
|
| |
Volume |
22 |
Issue |
22 |
Pages |
3304-3311 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Metal-organic frameworks (MOFs) feature a great possibility for a broad spectrum of applications. Hollow MOF structures with tunable porosity and multifunctionality at the nanoscale with beneficial properties are desired as hosts for catalytically active species. Herein, we demonstrate the formation of well-defined hollow Zn/Co-based zeolitic imidazolate frameworks (ZIFs) by use of epitaxial growth of Zn-MOF (ZIF-8) on preformed Co-MOF (ZIF-67) nanocrystals that involve in situ self-sacrifice/excavation of the Co-MOF. Moreover, any type of metal nanoparticles can be accommodated in Zn/Co-ZIF shells to generate yolk-shell metal@ZIF structures. Transmission electron microscopy and tomography studies revealed the inclusion of these nanoparticles within hollow Zn/Co-ZIF with dominance of the Zn-MOF as shell. Our findings lead to a generalization of such hollow systems that are working effectively to other types of ZIFs. |
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| |
Address |
|
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
|
| |
Language |
|
Wos |
000371419200001 |
Publication Date |
2016-01-29 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0947-6539 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.317 |
Times cited |
43 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 5.317 |
|
| |
Call Number |
UA @ lucian @ c:irua:132347 |
Serial |
4192 |
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| Permanent link to this record |
| |
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| |
|
Author |
Felgen, N.; Naydenov, B.; Turner, S.; Jelezko, F.; Reithmaier, J.P.; Popov, C. |
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| |
Title |
Incorporation and study of SiV centers in diamond nanopillars |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Diamond and related materials |
Abbreviated Journal |
Diam Relat Mater |
|
| |
Volume |
64 |
Issue |
64 |
Pages |
64-69 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
We report on the incorporation of SiV centers during hot filament chemical vapor deposition of diamond on top of diamond nanopillars with diameters down to 100 nm. The nanopillars themselves were prepared from nano crystalline diamond films by applying electron beam lithography and inductively coupled plasma reactive ion etching. The optical investigations revealed the presence of ensembles of SiV color centers incorporated during the overgrowth step. (C) 2016 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 |
|
Place of Publication |
Amsterdam |
Editor |
|
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| |
Language |
|
Wos |
000374608100009 |
Publication Date |
2016-01-16 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
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 |
14 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.561 |
|
| |
Call Number |
UA @ lucian @ c:irua:133623 |
Serial |
4193 |
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| Permanent link to this record |
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| |
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Author |
Gjorgievska, E.; Van Tendeloo, G.; Nicholson, J.W.; Coleman, N.J.; Slipper, I.J.; Booth, S. |
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| |
Title |
The incorporation of nanoparticles into conventional glass-ionomer dental restorative cements |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
|
| |
Volume |
21 |
Issue |
21 |
Pages |
392-406 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Conventional glass-ionomer cements (GICs) are popular restorative materials, but their use is limited by their relatively low mechanical strength. This paper reports an attempt to improve these materials by incorporation of 10 wt% of three different types of nanoparticles, aluminum oxide, zirconium oxide, and titanium dioxide, into two commercial GICs (ChemFil((R)) Rock and EQUIA (TM) Fil). The results indicate that the nanoparticles readily dispersed into the cement matrix by hand mixing and reduced the porosity of set cements by filling the empty spaces between the glass particles. Both cements showed no significant difference in compressive strength with added alumina, and ChemFil((R)) Rock also showed no significant difference with zirconia. By contrast, ChemFil((R)) Rock showed significantly higher compressive strength with added titania, and EQUIA (TM) Fil showed significantly higher compressive strength with both zirconia and titania. Fewer air voids were observed in all nanoparticle-containing cements and this, in turn, reduced the development of cracks within the matrix of the cements. These changes in microstructure provide a likely reason for the observed increases in compressive strength, and overall the addition of nanoparticles appears to be a promising strategy for improving the physical properties of GICs. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Cambridge, Mass. |
Editor |
|
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| |
Language |
|
Wos |
000353514700014 |
Publication Date |
2015-02-18 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1431-9276 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.891 |
Times cited |
15 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.891; 2015 IF: 1.877 |
|
| |
Call Number |
UA @ lucian @ c:irua:132523 |
Serial |
4194 |
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| Permanent link to this record |
| |
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| |
|
Author |
Van Havenbergh, K. |
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| |
Title |
Influence of silicon nanoparticle coating on the electrolyte decomposition in Li-ion batteries |
Type |
Doctoral thesis |
| |
Year |
2015 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
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 |
|
Wos |
|
Publication Date |
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| |
Series Editor |
|
Series Title |
|
Abbreviated 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:131647 |
Serial |
4196 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Zhang, B.; Dugas, R.; Rousse, G.; Rozier, P.; Abakumov, A.M.; Tarascon, J.-M. |
|
| |
Title |
Insertion compounds and composites made by ball milling for advanced sodium-ion batteries |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
|
| |
Volume |
7 |
Issue |
7 |
Pages |
10308 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Sodium-ion batteries have been considered as potential candidates for stationary energy storage because of the low cost and wide availability of Na sources. However, their future commercialization depends critically on control over the solid electrolyte interface formation, as well as the degree of sodiation at the positive electrode. Here we report an easily scalable ball milling approach, which relies on the use of metallic sodium, to prepare a variety of sodium-based alloys, insertion layered oxides and polyanionic compounds having sodium in excess such as the Na4V2(PO4)(2)F-3 phase. The practical benefits of preparing sodium-enriched positive electrodes as reservoirs to compensate for sodium loss during solid electrolyte interphase formation are demonstrated by assembling full C/P'2-Na-1[Fe0.5Mn0.5]O-2 and C/'Na3+xV2(PO4)(2)F-3' sodium-ion cells that show substantial increases (>10%) in energy storage density. Our findings may offer electrode design principles for accelerating the development of the sodium-ion technology. |
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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 |
000369021400002 |
Publication Date |
2016-01-18 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2041-1723 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
12.124 |
Times cited |
104 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 12.124 |
|
| |
Call Number |
UA @ lucian @ c:irua:131599 |
Serial |
4197 |
|
| Permanent link to this record |
| |
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| |
|
Author |
O'Sullivan, M.; Hadermann, J.; Dyer, M.S.; Turner, S.; Alaria, J.; Manning, T.D.; Abakumov, A.M.; Claridge, J.B.; Rosseinsky, M.J. |
|
| |
Title |
Interface control by chemical and dimensional matching in an oxide heterostructure |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Nature chemistry |
Abbreviated Journal |
Nat Chem |
|
| |
Volume |
8 |
Issue |
8 |
Pages |
347-353 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Interfaces between different materials underpin both new scientific phenomena, such as the emergent behaviour at oxide interfaces, and key technologies, such as that of the transistor. Control of the interfaces between materials with the same crystal structures but different chemical compositions is possible in many materials classes, but less progress has been made for oxide materials with different crystal structures. We show that dynamical self-organization during growth can create a coherent interface between the perovskite and fluorite oxide structures, which are based on different structural motifs, if an appropriate choice of cations is made to enable this restructuring. The integration of calculation with experimental observation reveals that the interface differs from both the bulk components and identifies the chemical bonding requirements to connect distinct oxide structures. |
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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 |
|
Wos |
000372505500013 |
Publication Date |
2016-02-01 |
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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 |
1755-4330; 1755-4349 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
25.87 |
Times cited |
28 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 25.87 |
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| |
Call Number |
UA @ lucian @ c:irua:133189 |
Serial |
4199 |
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| Permanent link to this record |
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| |
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Author |
Idrissi, H.; Bollinger, C.; Boioli, F.; Schryvers, D.; Cordier, P. |
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| |
Title |
Low-temperature plasticity of olivine revisited with in situ TEM nanomechanical testing |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Science Advances |
Abbreviated Journal |
|
|
| |
Volume |
2 |
Issue |
2 |
Pages |
e1501671-e1501671 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The rheology of the lithospheric mantle is fundamental to understanding how mantle convection couples with plate tectonics. However, olivine rheology at lithospheric conditions is still poorly understood because experiments are difficult in this temperature range where rocks and mineral become very brittle. We combine techniques of quantitative in situ tensile testing in a transmission electron microscope and numerical modeling of dislocation dynamics to constrain the low-temperature rheology of olivine. We find that the intrinsic ductility of olivine at low temperature is significantly lower than previously reported values, which were obtained under strain-hardened conditions. Using this method, we can anchor rheological laws determined at higher temperature and can provide a better constraint on intermediate temperatures relevant for the lithosphere. More generally, we demonstrate the possibility of characterizing the mechanical properties of specimens, which can be available in the form of submillimeter-sized particles only. |
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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 |
000379620200043 |
Publication Date |
2016-03-12 |
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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 |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2375-2548 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
32 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:134983 |
Serial |
4202 |
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| Permanent link to this record |
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| |
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Author |
Lobato, I.; Van Dyck, D. |
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| |
Title |
MULTEM : a new multislice program to perform accurate and fast electron diffraction and imaging simulations using graphics processing units with CUDA |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
| |
Volume |
156 |
Issue |
156 |
Pages |
9-17 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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| |
Abstract |
The main features and the GPU implementation of the MULTEM program are presented and described. This new program performs accurate and fast multislice simulations by including higher order expansion of the multislice solution of the high energy Schrodinger equation, the correct subslicing of the three-dimensional potential and top-bottom surfaces. The program implements different kinds of simulation for CTEM, STEM, ED, PED, CBED, ADF-TEM and ABF-HC with proper treatment of the spatial and temporal incoherences. The multislice approach described here treats the specimen as amorphous material which allows a straightforward implementation of the frozen phonon approximation. The generalized transmission function for each slice is calculated when is needed and then discarded. This allows us to perform large simulations that can include millions of atoms and keep the computer memory requirements to a reasonable level. (C) 2015 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 |
|
Wos |
000361001800003 |
Publication Date |
2015-04-28 |
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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 |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.843 |
Times cited |
32 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.843; 2015 IF: 2.436 |
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| |
Call Number |
UA @ lucian @ c:irua:127848 |
Serial |
4209 |
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| Permanent link to this record |
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| |
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Author |
Conings, B.; Bretschneider, S.A.; Babayigit, A.; Gauquelin, N.; Cardinaletti, I.; Manca, J.V.; Verbeeck, J.; Snaith, H.J.; Boyen, H.-G. |
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| |
Title |
Structure-property relations of methylamine vapor treated hybrid perovskite CH3NH3PbI3 films and solar cells |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
|
| |
Volume |
9 |
Issue |
9 |
Pages |
8092-8099 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The power conversion efficiency of halide perovskite solar cells is heavily dependent on the perovskite layer being sufficiently smooth and pinhole-free. It has been shown that these features can be obtained even when starting out from rough and discontinuous perovskite film, by briefly exposing it to methylamine (MA) vapor. The exact underlying physical mechanisms of this phenomenon are, however, still unclear. By investigating smooth, MA treated films, based on very rough and discontinuous reference films of methylammonium triiode (MAPbI3), considering their morphology, crystalline features, local conductive properties, and charge carrier lifetime, we unravel the relation between their characteristic physical qualities and their performance in corresponding solar cells. We discover that the extensive improvement in photovoltaic performance upon MA treatment is a consequence of the induced morphological enhancement of the perovskite layer, together with improved electron injection into TiO2, which in fact compensates for an otherwise compromised bulk electronic quality, simultaneously caused by the MA treatment. |
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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 |
|
Wos |
000396186000025 |
Publication Date |
2017-02-10 |
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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 |
1944-8244 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
7.504 |
Times cited |
43 |
Open Access |
OpenAccess |
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| |
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 FWO and Imec. 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. The authors thank Tim Vangerven for Urbach energy determination, and Johnny Baccus and Jan Mertens for technical support. |
Approved |
Most recent IF: 7.504 |
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| |
Call Number |
EMAT @ emat @ c:irua:140849 |
Serial |
4422 |
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| Permanent link to this record |
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| |
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Author |
Deyneko, D.V.; Morozov, V.A.; Hadermann, J.; Savon, A.E.; Spassky, D.A.; Stefanovich, S.Y.; Belik, A.A.; Lazoryak, B.I. |
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| |
Title |
A novel red Ca8.5Pb0.5Eu(PO4)7 phosphor for light emitting diodes application |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of alloys and compounds |
Abbreviated Journal |
J Alloy Compd |
|
| |
Volume |
647 |
Issue |
647 |
Pages |
965-972 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Ca9-xPbxEu(PO4)(7) (0 <= x <= 1) solid solutions with a whitlockite-type (or beta-Ca-3(PO4)(2)-type) structure (sp.gr. R3c) were prepared by a standard solid-state method in air. Their luminescent properties under near-ultraviolet (n-UV) light were investigated. Excitation spectra of Ca9-xPbxEu(PO4)(7) showed the strongest absorption at about 395 nm, which matches well with commercially available n-UV-emitting GaN-based LED chips. Emission spectra indicated an intense red emission due to the D-5(0) -> F-7(2) transition of Eu3+, with a maximum in the intensity for Ca8.5Pb0.5Eu(PO4)(7). The emission intensity of Ca8.5Pb0.5Eu(PO4)(7) was about 1.8 times higher than that of a Ca9Eu(PO4)(7) phosphor. We suggest that the introduction of Pb2+ is an efficient approach to enhance luminescence properties of such phosphors. We clarified the influence of the Ca2+/Pb2+ substitution on intensities of three bands for the D-5(0) -> F-7(0) transition in excitation spectra of Ca9-xPbxEu(PO4)(7). In addition, we found a reversible first-order phase transition from R3c to R (3) over barc symmetry by second-harmonic generation in the range from 753 K (x = 1) to 846 K (x = 0). (C) 2015 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 |
|
Wos |
000361156400135 |
Publication Date |
2015-06-18 |
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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 |
0925-8388 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.133 |
Times cited |
18 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.133; 2015 IF: 2.999 |
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| |
Call Number |
UA @ lucian @ c:irua:128720 |
Serial |
4215 |
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| Permanent link to this record |
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Author |
Sun, Z.; Madej, E.; Wiktor; Sinev, I.; Fischer, R.A.; Van Tendeloo, G.; Muhler, M.; Schuhmann, W.; Ventosa, E. |
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| |
Title |
One-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene for lithium-ion batteries |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
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| |
Volume |
21 |
Issue |
21 |
Pages |
16154-16161 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Nanostructure engineering has been demonstrated to improve the electrochemical performance of iron oxide based electrodes in Li-ion batteries (LIBs). However, the synthesis of advanced functional materials often requires multiple steps. Herein, we present a facile one-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene through high-pressure pyrolysis of ferrocene in the presence of pristine graphene. The ferrocene precursor supplies both iron and carbon to form the carbon-coated iron oxide, while the graphene acts as a high-surface-area anchor to achieve small metal oxide nanoparticles. When evaluated as a negative-electrode material for LIBs, our composite showed improved electrochemical performance compared to commercial iron oxide nanopowders, especially at fast charge/discharge rates. |
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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 |
Weinheim |
Editor |
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| |
Language |
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Wos |
000363890700036 |
Publication Date |
2015-09-11 |
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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 |
0947-6539 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.317 |
Times cited |
8 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 5.317; 2015 IF: 5.731 |
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| |
Call Number |
UA @ lucian @ c:irua:129510 |
Serial |
4218 |
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| Permanent link to this record |
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Author |
Forsh, E.A.; Abakumov, A.M.; Zaytsev, V.B.; Konstantinova, E.A.; Forsh, P.A.; Rumyantseva, M.N.; Gaskov, A.M.; Kashkarov, P.K. |
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| |
Title |
Optical and photoelectrical properties of nanocrystalline indium oxide with small grains |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Thin solid films : an international journal on the science and technology of thin and thick films |
Abbreviated Journal |
Thin Solid Films |
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| |
Volume |
595 |
Issue |
595 |
Pages |
25-31 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Optical properties, spectral dependence of photoconductivity and photoconductivity decay in nanocrystalline indium oxide In2O3 are studied. A number of nanostructured In2O3 samples with various nanocrystals size are prepared by sol-gel method and characterized using various techniques. The mean nanocrystals size varies from 7 to 8 nm to 39-41 nm depending on the preparation conditions. Structural characterization of the In2O3 samples is performed by means of transmission electron microscopy and X-ray powder diffraction. The combined analysis of ultraviolet-visible absorption spectroscopy and diffuse reflectance spectroscopy shows that nanostructuring leads to the change in optical band gap: optical band gap of the In2O3 samples (with an average nanocrystal size from 7 to 41 nm) is equal to 2.8 eV. We find out the correlation between spectral dependence of photoconductivity and optical properties of nanocrystalline In2O3: sharp increase in photoconductivity was observed to begin at 2.8 eV that is equal to the optical bandgap in the In2O3 samples, and reached its maximum at 3.2-3.3 eV. The combined analysis of the slow photoconductivity decay in air, vacuum and argon, that was accurately fitted by a stretched-exponential function, and electron paramagnetic resonance (EPR) measurements shows that the kinetics of photoconductivity decay is strongly depended on the presence of oxygen molecules in the ambient of In2O3 nanocrystals. There is the quantitative correlation between EPR and photoconductivity data. Based on the obtained data we propose the model clearing up the phenomenon of permanent photoconductivity decay in nanocrystalline In2O3. (C) 2015 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 |
|
Place of Publication |
Lausanne |
Editor |
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| |
Language |
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Wos |
000365812400005 |
Publication Date |
2015-10-27 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0040-6090 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.879 |
Times cited |
18 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 1.879; 2015 IF: 1.759 |
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| |
Call Number |
UA @ lucian @ c:irua:130254 |
Serial |
4219 |
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| Permanent link to this record |
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Author |
Huybrechts, W.; Mali, G.; Kuśtrowski, P.; Willhammar, T.; Mertens, M.; Bals, S.; Van Der Voort, P.; Cool, P. |
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Title |
Post-synthesis bromination of benzene bridged PMO as a way to create a high potential hybrid material |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
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| |
Volume |
236 |
Issue |
236 |
Pages |
244-249 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
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| |
Abstract |
Periodic mesoporous organosilicas provide the best of two worlds: the strength and porosity of an inorganic framework combined with the infinite possibilities created by the organic bridging unit. In this work we focus on post-synthetical modification of benzene bridged PMO, in order to create bromobenzene PMO. In the past, this proved to be very challenging due to unwanted structural deterioration. However, now we have found a way to brominate this material whilst keeping the structure intact. In-depth structural analysis by solid state NMR and XPS shows both vast progress over previous attempts as well as potential for improvement. |
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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 |
000385899600028 |
Publication Date |
2016-09-10 |
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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 |
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Edition |
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| |
ISSN |
1387-1811 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.615 |
Times cited |
7 |
Open Access |
OpenAccess |
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| |
Notes |
; The authors would like to thank financial support from the FWO-Flanders (project no G.0068.13). The authors further acknowledge financial support of the University of Antwerp through BOF GOA funding. S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). ; ecas_Sara |
Approved |
Most recent IF: 3.615 |
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| |
Call Number |
UA @ lucian @ c:irua:135274 |
Serial |
4228 |
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| Permanent link to this record |
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Author |
Brammertz, G.; Buffiere, M.; Verbist, C.; Bekaert, J.; Batuk, M.; Hadermann, J.; et al. |
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| |
Title |
Process variability in Cu2ZnSnSe4 solar cell devices: Electrical and structural investigations |
Type |
P1 Proceeding |
| |
Year |
2015 |
Publication |
The conference record of the IEEE Photovoltaic Specialists Conference
T2 – IEEE 42nd Photovoltaic Specialist Conference (PVSC), JUN 14-19, 2015, New Orleans, LA |
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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| |
Abstract |
We have fabricated 9.7% efficient Cu2ZnSnSe4/CdS/ZnO solar cells by H2Se selenization of sequentially sputtered metal layers. Despite the good efficiency obtained, process control appears to be difficult. In the present contribution we compare the electrical and physical properties of two devices with nominal same fabrication procedure, but 1% and 9.7% power conversion efficiency respectively. We identify the problem of the lower performing device to be the segregation of ZnSe phases at the backside of the sample. This ZnSe seems to be the reason for the strong bias dependent photocurrent observed in the lower performing devices, as it adds a potential barrier for carrier collection. The reason for the different behavior of the two nominally same devices is not fully understood, but speculated to be related to sputtering variability. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Ieee |
Place of Publication |
New york |
Editor |
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Language |
|
Wos |
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Publication Date |
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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 |
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Edition |
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ISSN |
978-1-4799-7944-8 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
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:132335 |
Serial |
4229 |
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| Permanent link to this record |
