Records |
Author |
Osella, S.; Knippenberg, S. |
Title |
Laurdan as a molecular rotor in biological environments |
Type |
A1 Journal article |
Year |
2019 |
Publication |
ACS applied bio materials |
Abbreviated Journal |
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Volume |
2 |
Issue |
12 |
Pages |
5769-5778 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Laurdan is one of the most used fluorescent probes for lipid membrane phase recognition. Despite its wide use for optical techniques and its versatility as a solvatochromic probe, little is known regarding its use as molecular rotor, for which clear evidence is found in the current study. Although recent computational and experimental studies suggest the existence of two stable conformations of laurdan in different membrane phases, it is difficult to experimentally probe their prevalence. By means of multiscale computational approaches, we prove now that this information can be obtained through the optical properties of the two conformers, ranging from one-photon absorption over two-photon absorption to the first hyperpolarizability. Fluorescence decay and anisotropy analyses are performed as well and stress the importance of laurdan's conformational versatility. As a molecular rotor and with reference to the distinct properties of its conformers, laurdan can be used to probe biochemical processes that change the lipid orders in cell membranes. |
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Wos |
000616372300047 |
Publication Date |
2019-11-22 |
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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 |
2576-6422 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:180356 |
Serial |
8166 |
Permanent link to this record |
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Author |
Delalieux, F.; Tsuji, K.; Wagatsuma, K.; Van Grieken, R. |
Title |
Material analysis methods applied to the study of ancient monuments, works of art and artefacts |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Materials transactions |
Abbreviated Journal |
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Volume |
43 |
Issue |
9 |
Pages |
2197-2200 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000178449800008 |
Publication Date |
2005-10-17 |
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Edition |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:40618 |
Serial |
8208 |
Permanent link to this record |
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Author |
Roet, D.; van Espen, P. |
Title |
Monte Carlo simulation of X-ray spectra from low energy electrons using optical data |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms |
Abbreviated Journal |
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Volume |
268 |
Issue |
17/18 |
Pages |
2794-2800 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
An approach using optical data to simulate both the bremsstrahlung continuum and characteristic K and L X-ray lines generated by low energy electrons (cfr. electron microscopy) in solids is discussed in this paper. The necessary analytical expressions together with the data to calculate the relevant cross sections for elastic and inelastic interactions at these energies along with variance reduction techniques are given. The results of the Monte Carlo simulation are compared to experimental data measured with a JEOL 6300 electron microscope. |
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Wos |
000281498900039 |
Publication Date |
2010-07-15 |
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 |
0168-583x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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no |
Call Number |
UA @ admin @ c:irua:84261 |
Serial |
8281 |
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Author |
Nowak, D.; Florek, M.; Nowak, J.; Kwiatek, W.; Lekki, J.; Chevallier, P.; Hacura, A.; Wrzalik, R.; Ben-Nissan, B.; Van Grieken, R.; Kuczumow, A. |
Title |
Morphology and the chemical make-up of the inorganic components of black corals |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
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Volume |
29 |
Issue |
3 |
Pages |
1029-1038 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Black corals (Cnidaria, Antipatharia) from three different sources were investigated with the aim of detecting inorganic components and their morphology. In general, the skeleton of black corals was composed of the chitin fibrils admixed with peptides and the chitin presence was confirmed by the X-ray diffraction (XRD), Fourier Transformed Infrared Spectrometry (FTIR) and microRaman Microscopy, the latter giving the opportunity of tracing single fibrils and their location. The composition and concentrations of the inorganic components of the black corals were measured, using a scanning electron microprobe and micro-Particle Induced X-ray Emission (µ-PIXE). The application of such instruments enabled the estimation of the constituent distributions in a microscale. The mapping option was the most useful technique of making analyses in these studies, just to reveal the composition of chamber-like cells. Analysis of the morphology and microstructure showed that there were three distinct regions within the coral: a core and the cells encircled with adjacent interface gluing strips. The majority of the elements analyzed were selectively distributed and segregated in a striking way in mentioned distinctive zones of the skeleton and it was detected for the first time. The core area was characterized by the relatively elevated concentrations of Ca. The measurements gave extremely clear images of the distribution of particular elements in the skeletal tissue, with I, Ca, K and Fe much more concentrated in the gluing zones, while C, N, Na and Mg present in the interiors of particular skeletal cells. The distribution of some elements (Mg, Fe) and some compounds (chitin) and functional groups (SS, CI) allows differentiating the biological and mechanical functions of particular fragments of the rods. The kinds of elements and their concentrations measured were essentially in compliance with rare data available in the literature. The Raman technique gave the additional qualitative information about the structure of gluing zone and the chitin fibrils and surrounding matrix inside the cell interior. |
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Wos |
000266520400065 |
Publication Date |
2008-09-10 |
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 |
0928-4931 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:76024 |
Serial |
8284 |
Permanent link to this record |
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Author |
Celik, N.; Čevik, U.; Celik, A.; Koz, B. |
Title |
Natural and artificial radioactivity measurements in Eastern Black Sea region of Turkey |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
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Volume |
162 |
Issue |
1 |
Pages |
146-153 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
In the present work, naturally occurring radionuclides of (226)Ra, (232)Th and (40)K were measured in soil samples collected from the Eastern Black Sea region of Turkey. It was found that the activity concentrations ranged from 12 to 120 Bq kg(-1) for (226)Ra, from 13 to 121 Bq kg(-1) for (232)Th and from 204 to 1295 Bq kg(-1) for (40)K. Besides naturally occurring radionuclides, (137)Cs activity concentration was measured in soil, lichen and moss samples and it was found that (137)Cs activity concentration ranged from 27 to 775 Bq kg(-1) with for soil, from 29 to 879 Bq kg(-1) for lichen and from 67 to 1396 Bq kg(-1) for moss samples. Annual effective doses due to the naturally occurring radionuclides and (137)CS were estimated. Ecological half-lives of (137)CS in lichen and moss species were estimated. The decrease of the activity concentrations in the present measurements (2007) relative to those in 1993 indicated ecological half-lives between 1.36 and 2.96 years for lichen and between 1.35 and 2.85 years for moss species. (C) 2008 Elsevier B.V. All rights reserved. |
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 |
000263149400019 |
Publication Date |
2008-05-10 |
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 |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:94562 |
Serial |
8296 |
Permanent link to this record |
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Author |
Schalm, O.; Anaf, W.; Callier, J.; Leyva Pernia, D. |
Title |
New generation monitoring devices for heritage guardians to detect multiple events and hazards |
Type |
P1 Proceeding |
Year |
2018 |
Publication |
IOP conference series : materials science and engineering |
Abbreviated Journal |
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Volume |
364 |
Issue |
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Pages |
Unsp 012056-9 |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Art; History; Antwerp Systems and software Modelling (AnSyMo); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
Abstract |
Environmental parameters such as temperature, relative humidity, visible light, UV radiation and pollution influence the deterioration rate of heritage items. To judge on the environmental appropriateness for heritage conservation, it is therefore important to monitor the environment. Often, an incomplete set of environmental parameters is measured, or sporadic or time-averaged measurements are performed. As a result, a wide range of undesirable situations and hazards remain unnoticed. This might lead to an underestimation of environmental dangers (i.e., inaccurate judgement) or to inappropriate mitigation measures (i.e., inaccurate decision making). We present an innovative and user-friendly monitoring device that simultaneously and continuously measures (1) environmental parameters and (2) material behavior. An extended combination of off-the-shelf sensors for temperature, relative humidity, air speed, CO2, NO2, O-3 and particulate matter are connected to a multipurpose datalogger. In-house developed sensors for the shrinkage and expansion behavior of wood, as well as sensors for metal corrosion rates are connected to the same datalogger. Such extended monitoring shows the identification of a wider range of undesirable situations, and it facilitates the search for correlations between such situations and the sources that cause them, i.e., the hazards. |
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Place of Publication |
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Language |
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Wos |
000452025100056 |
Publication Date |
2018-06-18 |
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 |
1757-8981; 1757-899x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:151825 |
Serial |
8298 |
Permanent link to this record |
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Author |
Dantas, C.C.; Dos Santos, V.A.; Melo, A.C.B.A.; Van Grieken, R. |
Title |
Precise gamma ray measurement of the radial distribution of a cracking catalyst at diluted concentrations in a glass riser |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms |
Abbreviated Journal |
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Volume |
251 |
Issue |
1 |
Pages |
201-208 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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 |
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Editor |
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Language |
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Wos |
000241226900029 |
Publication Date |
2006-07-12 |
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 |
0168-583x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:61261 |
Serial |
8398 |
Permanent link to this record |
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Author |
Safdar, M.; Khan, S.U.; Jänis, J. |
Title |
Progress toward catalytic micro- and nanomotors for biomedical and environmental applications |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Advanced Materials |
Abbreviated Journal |
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Volume |
30 |
Issue |
24 |
Pages |
1703660 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Synthetic micro‐ and nanomotors (MNMs) are tiny objects that can autonomously move under the influence of an appropriate source of energy, such as a chemical fuel, magnetic field, ultrasound, or light. Chemically driven MNMs are composed of or contain certain reactive material(s) that convert chemical energy of a fuel into kinetic energy (motion) of the particles. Several different materials have been explored over the last decade for the preparation of a wide variety of MNMs. Here, the discovery of materials and approaches to enhance the efficiency of chemically driven MNMs are reviewed. Several prominent applications of the MNMs, especially in the fields of biomedicine and environmental science, are also discussed, as well as the limitations of existing materials and future research directions. |
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Place of Publication |
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Wos |
000436455800006 |
Publication Date |
2018-02-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor ![sorted by Impact Factor field, ascending order (up)](img/sort_asc.gif) |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:175426 |
Serial |
8424 |
Permanent link to this record |
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Author |
Damla, N.; Čevik, U.; Kobya, A.I.; Celik, A.; Celik, N.; Van Grieken, R. |
Title |
Radiation dose estimation and mass attenuation coefficients of cement samples used in Turkey |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
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Volume |
176 |
Issue |
1/3 |
Pages |
644-649 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Different cement samples commonly used in building construction in Turkey have been analyzed for natural radioactivity using gamma-ray spectrometry. The mean activity concentrations observed in the cement samples were 52, 40 and 324 Bq kg−1 for 226Ra, 232Th and 40K, respectively. The measured activity concentrations for these radionuclides were compared with the reported data of other countries and world average limits. The radiological hazard parameters such as radium equivalent activities (Raeq), gamma index (Iγ) and alpha index (Iα) indices as well as terrestrial absorbed dose and annual effective dose rate were calculated and compared with the international data. The Raeq values of cement are lower than the limit of 370 Bq kg−1, equivalent to a gamma dose of 1.5 mSv y−1. Moreover, the mass attenuation coefficients were determined experimentally and calculated theoretically using XCOM in some cement samples. Also, chemical compositions analyses of the cement samples were investigated. |
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Place of Publication |
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Wos |
000274839700087 |
Publication Date |
2009-11-20 |
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 |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor ![sorted by Impact Factor field, ascending order (up)](img/sort_asc.gif) |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:80671 |
Serial |
8448 |
Permanent link to this record |
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Author |
Peeters, B.; Daems, D.; Van der Donck, T.; Delport, F.; Lammertyn, J. |
Title |
Real-time FO-SPR monitoring of solid-phase DNAzyme cleavage activity for cutting-edge biosensing |
Type |
A1 Journal article |
Year |
2019 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
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Volume |
11 |
Issue |
7 |
Pages |
6759-6768 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
DNA nanotechnology has a great potential in biosensor design including nanostructuring of the biosensor surface through DNA origami, target recognition by means of aptamers, and DNA-based signal amplification strategies. In this paper, we use DNA nanotechnology to describe for the first time the concept of real-time solid-phase monitoring of DNAzyme cleavage activity for the detection of specific single-stranded DNA (ssDNA) with a fiber optic surface plasmon resonance (FO-SPR) biosensor. Hereto, we first developed a robust ligation strategy for the functionalization of the FO-SPR biosensing surface with ssDNA-tethered gold nanoparticles, serving as the substrate for the DNAzyme. Next, we established a relation between the SPR signal change, due to the cleavage activity of the 10–23 DNAzyme, and the concentration of the DNAzyme, showing faster cleavage kinetics for higher DNAzyme concentrations. Finally, we implemented this generic concept for biosensing of ssDNA target in solution. Hereto, we designed a DNAzyme–inhibitor complex, consisting of an internal loop structure complementary to the ssDNA target, that releases active DNAzyme molecules in a controlled way as a function of the target concentration. We demonstrated reproducible target detection with a theoretical limit of detection of 1.4 nM, proving that the presented ligation strategy is key to a universal DNAzyme-based FO-SPR biosensing concept with promising applications in the medical and agrofood sector. |
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Place of Publication |
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Wos |
000459642200008 |
Publication Date |
2019-01-25 |
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 |
1944-8244 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:160132 |
Serial |
8457 |
Permanent link to this record |
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Author |
Stefaniak, E.A.; Sajó, I.; Alsecz, A.; Worobiec, A.; Máthé, Z.; Török, S.; Van Grieken, R. |
Title |
Recognition of uranium oxides in soil particulate matter by means of ì-Raman spectrometry |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Journal of nuclear materials |
Abbreviated Journal |
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Volume |
381 |
Issue |
|
Pages |
278-283 |
Keywords |
A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Soil samples from an abandoned uranium mine have been investigated in order to determine the molecular phases of uranium compounds. The experiments were carried out with soil particulate matter, collected randomly from the area of the formerly exploited ore. To select the particles rich with uranium, scanning electron microscopy with energy-dispersive X-ray attachment (SEM/EDX) was applied first. Afterwards, the particles were relocated and measured by l-Raman spectrometry (MRS). Residues of the main deposit, uraninite UO2, were detected, along with its alteration products. In terms of Raman scattering properties, uranium oxides are quite sensitive to the laser beam wavelength, which results in very specific features of their Raman spectra. In this paper the Raman spectra of uranium oxides of different origin and oxidation states, measured with 514 and 785 nm lasers, are also presented |
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Corporate Author |
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Place of Publication |
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Wos |
000261347800010 |
Publication Date |
2008-09-18 |
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 |
0022-3115 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:71079 |
Serial |
8460 |
Permanent link to this record |
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Author |
Zankowski, S.P.; Van Hoecke, L.; Mattelaer, F.; de Raedt, M.; Richard, O.; Detavernier, C.; Vereecken, P.M. |
Title |
Redox layer deposition of thin films of MnO2 on nanostructured substrates from aqueous solutions |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
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Volume |
31 |
Issue |
13 |
Pages |
4805-4816 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
In this work, we report a new method for depositing thin films of MnO2 on planar and complex nanostructured surfaces, with high precision and conformality. The method is based on repeating cycles of adsorption of an unsaturated alcohol on a surface, followed by its oxidation with aqueous KMnO4 and formation of thin, solid MnO2. The amount of manganese oxide formed in each cycle is limited by the quantity of the adsorbed alcohol; thus, the growth exhibits the self-limiting characteristics of atomic layer deposition (ALD). Contrary to the typical ALD, however, the new redox layer deposition is performed in air, at room temperature, using common chemicals and simple laboratory glassware, which greatly reduces its cost and complexity. We also demonstrate application of the method for the fabrication of a nanostructured MnO2/Ni electrode, which was not possible with thermal ALD because of the rapid decomposition of the gaseous precursor on the high surface-area substrate. Thanks to its simplicity, the conformal deposition of MnO2 can be easily upscaled and thus exploited for its numerous (electro)chemical applications. |
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Place of Publication |
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Language |
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Wos |
000475408400021 |
Publication Date |
2019-06-12 |
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; 1520-5002 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:161225 |
Serial |
8465 |
Permanent link to this record |
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Author |
Alexander, C.T.; Abakumov, A.M.; Forslund, R.P.; Johnston, K.P.; Stevenson, K.J. |
Title |
Role of the carbon support on the oxygen reduction and evolution activities in LaNiO3 composite electrodes in alkaline solution |
Type |
A1 Journal article |
Year |
2018 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
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Volume |
1 |
Issue |
4 |
Pages |
1549-1558 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Metal-air batteries and fuel cells show a great deal of promise in advancing low-cost, high-energy-density charge storage solutions for sustainable energy applications. To improve the activities and stabilities of electrocatalysts for the critical oxygen reduction and evolution reactions (ORR and OER, respectively), a greater understanding is needed of the catalyst/carbon interactions and carbon stability. Herein, we report how LaNiO3 (LNO) supported on nitrogen-doped carbon nanotubes (N-CNT) made from a high-yield synthesis lowers the overpotential for both the OER and ORR markedly to enable a low bifunctional window of 0.81 V at only a 51 mu g cm(-2) mass loading. Furthermore, the addition of LNO to the N-CNTs improves the galvanostatic stability for the OER by almost 2 orders of magnitude. The nanoscale geometries of the perovskites and the CNTs enhance the number of metal-support and charge transfer interactions and thus the activity. We use rotating ring disk electrodes (RRDEs) combined with Tafel slope analysis and ICP-OES to quantitatively separate current contributions from the OER, carbon oxidation, and even anodic iron leaching from carbon nanotubes. |
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Wos |
000458705400020 |
Publication Date |
2018-03-28 |
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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 |
2574-0962 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:157642 |
Serial |
8487 |
Permanent link to this record |
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Author |
Cardell, C.; Delalieux, F.; Roumpopoulos, K.; Moropoulou, A.; Auger, F.; Van Grieken, R. |
Title |
Salt-induced decay in calcareous stone monuments and buildings in a marine environment in SW France |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Construction and building materials |
Abbreviated Journal |
|
Volume |
17 |
Issue |
|
Pages |
165-179 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000181682600003 |
Publication Date |
2003-03-25 |
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 |
0950-0618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor ![sorted by Impact Factor field, ascending order (up)](img/sort_asc.gif) |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:40839 |
Serial |
8489 |
Permanent link to this record |
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Author |
Milovanović, S.P.; Peeters, F.M. |
Title |
Strained graphene structures : from valleytronics to pressure sensing |
Type |
P1 Proceeding |
Year |
2018 |
Publication |
Nanostructured Materials For The Detection Of Cbrn |
Abbreviated Journal |
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Volume |
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Issue |
|
Pages |
3-17
T2 - NATO Advanced Research Workshop on Nanos |
Keywords |
P1 Proceeding; Pharmacology. Therapy; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Due to its strong bonds graphene can stretch up to 25% of its original size without breaking. Furthermore, mechanical deformations lead to the generation of pseudo-magnetic fields (PMF) that can exceed 300 T. The generated PMF has opposite direction for electrons originating from different valleys. We show that valley-polarized currents can be generated by local straining of multi-terminal graphene devices. The pseudo-magnetic field created by a Gaussian-like deformation allows electrons from only one valley to transmit and a current of electrons from a single valley is generated at the opposite side of the locally strained region. Furthermore, applying a pressure difference between the two sides of a graphene membrane causes it to bend/bulge resulting in a resistance change. We find that the resistance changes linearly with pressure for bubbles of small radius while the response becomes non-linear for bubbles that stretch almost to the edges of the sample. This is explained as due to the strong interference of propagating electronic modes inside the bubble. Our calculations show that high gauge factors can be obtained in this way which makes graphene a good candidate for pressure sensing. |
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Wos |
000477758900001 |
Publication Date |
2018-07-11 |
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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 |
978-94-024-1306-9; 978-94-024-1304-5; 978-94-024-1303-8; 978-94-024-1303-8 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
6 |
Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:161972 |
Serial |
8583 |
Permanent link to this record |
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Author |
Piñera, I.; Cruz, C.M.; van Espen, P.; Abreu, Y.; Leyva, A. |
Title |
Study of dpa distributions in electron irradiated YBCO slabs through MCCM algorithm |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms |
Abbreviated Journal |
|
Volume |
274 |
Issue |
|
Pages |
191-194 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
The Monte Carlo assisted Classical Method (MCCM) consists on a calculation procedure for determining the displacements per atom (dpa) distribution in solid materials. This algorithm allows studying the gamma and electron irradiation damage in different materials. It is based on the electrons elastic scattering classic theories and the use of Monte Carlo simulation for the physical processes involved. The present study deals with the Monte Carlo simulation of electron irradiation effects on YBa2Cu3O7-x (YBCO) slabs using the MCNPX code system. Displacements per atom distributions are obtained through the MCCM for electron irradiation up to 10 MeV. In-depth dpa profiles for electrons and positrons are obtained and analysed. Also, dpa contributions from each atomic specie in the material are calculated. It was found that the dpa distribution is more homogeneous in the material volume when increasing energy of incident electrons. Also, the dpa produced by positrons has no relevance when irradiating with electrons, in contrast with previous similar gamma irradiation studies. All the results are presented and discussed in this contribution. (C) 2011 Elsevier B.V. All rights reserved. |
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Wos |
000301611900031 |
Publication Date |
2011-12-05 |
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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 |
0168-583x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:97819 |
Serial |
8595 |
Permanent link to this record |
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Author |
Kandemir, A.; Ozden, A.; Cagin, T.; Sevik, C. |
Title |
Thermal conductivity engineering of bulk and one-dimensional Si-Ge nanoarchitectures |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Science and technology of advanced materials |
Abbreviated Journal |
|
Volume |
18 |
Issue |
1 |
Pages |
187-196 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Various theoretical and experimental methods are utilized to investigate the thermal conductivity of nanostructured materials; this is a critical parameter to increase performance of thermoelectric devices. Among these methods, equilibrium molecular dynamics (EMD) is an accurate technique to predict lattice thermal conductivity. In this study, by means of systematic EMD simulations, thermal conductivity of bulk Si-Ge structures (pristine, alloy and superlattice) and their nanostructured one dimensional forms with square and circular cross-section geometries (asymmetric and symmetric) are calculated for different crystallographic directions. A comprehensive temperature analysis is evaluated for selected structures as well. The results show that one-dimensional structures are superior candidates in terms of their low lattice thermal conductivity and thermal conductivity tunability by nanostructuring, such as by diameter modulation, interface roughness, periodicity and number of interfaces. We find that thermal conductivity decreases with smaller diameters or cross section areas. Furthermore, interface roughness decreases thermal conductivity with a profound impact. Moreover, we predicted that there is a specific periodicity that gives minimum thermal conductivity in symmetric superlattice structures. The decreasing thermal conductivity is due to the reducing phonon movement in the system due to the effect of the number of interfaces that determine regimes of ballistic and wave transport phenomena. In some nanostructures, such as nanowire superlattices, thermal conductivity of the Si/Ge system can be reduced to nearly twice that of an amorphous silicon thermal conductivity. Additionally, it is found that one crystal orientation, <100>, is better than the <111> crystal orientation in one-dimensional and bulk SiGe systems. Our results clearly point out the importance of lattice thermal conductivity engineering in bulk and nanostructures to produce high-performance thermoelectric materials. |
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Wos |
000405949800001 |
Publication Date |
2017-03-13 |
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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 |
1468-6996; 1878-5514 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor ![sorted by Impact Factor field, ascending order (up)](img/sort_asc.gif) |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:193772 |
Serial |
8662 |
Permanent link to this record |
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Author |
Mobaraki, A.; Kandemir, A.; Yapicioglu, H.; Gulseren, O.; Sevik, C. |
Title |
Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Computational materials science |
Abbreviated Journal |
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Volume |
144 |
Issue |
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Pages |
92-98 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In recent years, transition metal dichalcogenides (TMDs) displaying astonishing properties are emerged as a new class of two-dimensional layered materials. The understanding and characterization of thermal transport in these materials are crucial for efficient engineering of 2D TMD materials for applications such as thermoelectric devices or overcoming general overheating issues. In this work, we obtain accurate Stillinger-Weber type empirical potential parameter sets for single-layer WS2 and WSe2 crystals by utilizing particle swarm optimization, a stochastic search algorithm. For both systems, our results are quite consistent with first-principles calculations in terms of bond distances, lattice parameters, elastic constants and vibrational properties. Using the generated potentials, we investigate the effect of temperature on phonon energies and phonon linewidth by employing spectral energy density analysis. We compare the calculated frequency shift with respect to temperature with corresponding experimental data, clearly demonstrating the accuracy of the generated inter-atomic potentials in this study. Also, we evaluate the lattice thermal conductivities of these materials by means of classical molecular dynamics simulations. The predicted thermal properties are in very good agreement with the ones calculated from first-principles. (C) 2017 Elsevier B.V. All rights reserved. |
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Wos |
000424902300013 |
Publication Date |
2017-12-16 |
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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 |
0927-0256 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor ![sorted by Impact Factor field, ascending order (up)](img/sort_asc.gif) |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:193774 |
Serial |
8729 |
Permanent link to this record |
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Author |
Kenawy, A.; Magnus, W.; Milošević, M.V.; Sorée, B. |
Title |
Voltage-controlled superconducting magnetic memory |
Type |
A1 Journal article |
Year |
2019 |
Publication |
AIP advances
T2 – 64th Annual Conference on Magnetism and Magnetic Materials (MMM), NOV 04-08, 2019, Las Vegas, NV |
Abbreviated Journal |
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Volume |
9 |
Issue |
12 |
Pages |
125223 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Over the past few decades, superconducting circuits have been used to realize various novel electronic devices such as quantum bits, SQUIDs, parametric amplifiers, etc. One domain, however, where superconducting circuits fall short is information storage. Superconducting memories are based on the quantization of magnetic flux in superconducting loops. Standard implementations store information as magnetic flux quanta in a superconducting loop interrupted by two Josephson junctions (i.e., a SQUID). However, due to the large inductance required, the size of the SQUID loop cannot be scaled below several micrometers, resulting in low-density memory chips. Here, we propose a scalable memory consisting of a voltage-biased superconducting ring threaded by a half-quantum flux bias. By numerically solving the time-dependent Ginzburg-Landau equations, we show that applying a time-dependent bias voltage in the microwave range constitutes a writing mechanism to change the number of stored flux quanta within the ring. Since the proposed device does not require a large loop inductance, it can be scaled down, enabling a high-density memory technology. (C) 2019 Author(s). |
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Wos |
000515525300002 |
Publication Date |
2019-12-20 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
2158-3226 |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor ![sorted by Impact Factor field, ascending order (up)](img/sort_asc.gif) |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:167551 |
Serial |
8740 |
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Author |
Jain, R.; Rather, J.A.; Dwivedi, A. |
Title |
Voltammetric behaviour of nitroxazepine in solubilized system and biological fluids |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
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Volume |
31 |
Issue |
2 |
Pages |
230-237 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
This study reports the development and validation of sensitive and selective assay method for the determination of the antidepressant drug in solubilized system and biological fluids. Solubilized system of different surfactants including cationic, anionic and non-ionic influences the electrochemical response of drug. Addition of cationic surfactant cetrimide to the solution containing drug enhances the peak current signal while anionic and non-ionic showed an opposite effect. The current signal due to reduction process was function of concentration of nitroxazepine, pH, type of surfactant and preconcentration time at the electrode surface. The reduction process is irreversible and adsorption controlled at HMDE. Various chemical and instrumental parameters affecting the monitored electroanalytical response were investigated and optimized for niroxazepine hydrochloride determination. The proposed SWCAdSV and DPCAdSV methods are linear over the concentration range 2.0 × 10-7 5.0 × 10-9 mol/L and 6.1 × 10-7 1.0 × 10-8 mol/L with detection limit of 1.62 × 10-10 mo/L and 1.4 × 10-9 mo/L respectively. The method shows good sensitivity, selectivity, accuracy and precision that makes it very suitable for determination of nitroxazepine in pharmaceutical formulation and biological fluids. |
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Wos |
000286707900024 |
Publication Date |
2010-09-08 |
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Edition |
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ISSN |
0928-4931 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor ![sorted by Impact Factor field, ascending order (up)](img/sort_asc.gif) |
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Times cited |
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Open Access |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:98685 |
Serial |
8743 |
Permanent link to this record |
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Author |
Scandura, G.; Eid, S.; Alnajjar, A.A.; Paul, T.; Karanikolos, G.N.; Shetty, D.; Omer, K.; Alqerem, R.; Juma, A.; Wang, H.; Arafat, H.A.; Dumee, L.F. |
Title |
Photo-responsive metal-organic frameworks – design strategies and emerging applications in photocatalysis and adsorption |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Materials Advances |
Abbreviated Journal |
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Volume |
4 |
Issue |
5 |
Pages |
1258-1285 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Stimuli-responsive metal-organic frameworks (MOFs) are highly versatile porous materials with the ability to respond to different external stimuli, including temperature, pressure, pH, and light. The MOF properties can switch reversibly under specific light irradiation, opening the doors to various applications. This review focuses on design strategies to obtain photo-responsive MOFs, namely (i) encapsulation of photo-switchable molecules as guests in MOF porous structures, (ii) fabrication of MOF composites, (iii) post-synthesis modification, and (iv) synthesis of MOFs with photo-responsive ligands. The most recent reports from the literature are herein reviewed and analyzed in terms of material chemistry and performance. Comparisons between the different strategies are performed and future challenges are discussed. The critical aspect of the fatigue of photo-responsive MOFs applied for prolonged cycling of irradiation is also discussed. |
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Wos |
000938241000001 |
Publication Date |
2023-02-24 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor ![sorted by Impact Factor field, ascending order (up)](img/sort_asc.gif) |
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Open Access |
OpenAccess |
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:199418 |
Serial |
8913 |
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Author |
Filez, M.; Feng, J.-Y.; Minjauw, M.M.; Solano, E.; Poonkottil, N.; Van Daele, M.; Ramachandran, R.K.; Li, C.; Bals, S.; Poelman, H.; Detavernier, C.; Dendooven, J.; Filez, M.; Minjauw, M.; Solano, E.; Poonkottil, N.; Li, C.; Bals, S.; Dendooven, J. |
Title |
Shuffling atomic layer deposition gas sequences to modulate bimetallic thin films and nanoparticle properties |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Chemistry of materials |
Abbreviated Journal |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Atomic layer deposition (ALD) typically employs metal precursors and co-reactant pulses to deposit thin films in a layer-by-layer fashion. While conventional ABAB-type ALD sequences implement only two functionalities, namely, a metal source and ligand exchange agent, additional functionalities have emerged, including etching and reduction agents. Herein, we construct gas-phase sequences-coined as ALD+-with complex-ities reaching beyond the classic ABAB-type ALD by freely combining multiple functionalities within irregular pulse schemes, e.g., ABCADC. The possibilities of such combinations are explored as a smart strategy to tailor bimetallic thin films and nanoparticle (NP) properties. By doing so, we demonstrate that bimetallic thin films can be tailored with target thickness and through the full compositional range, while the morphology can be flexibly modulated from thin films to NPs by shuI 1ing the pulse sequence. These complex pulse schemes are expected to be broadly applicable but are here explored for Pd-Ru bimetallic thin films and NPs. |
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Wos |
000823205700001 |
Publication Date |
2022-06-29 |
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Abbreviated Series Title |
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Edition |
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ISSN |
0897-4756; 1520-5002 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Times cited |
2 |
Open Access |
OpenAccess |
Notes |
This research was funded by the Research Foundation, Flanders (FWO) , and the Special Research Fund BOF of Ghent University (GOA 01G01019) . M.F. and M.M.M. acknowledge the FWO for a postdoctoral research fellowship (1280621N) . N.P. acknowledges the European Union's Horizon 2020 research and innovation program under the Marie Skiodowska-Curie grant agreement no. 765378. For the GISAXS measurements, the author s received funding from the European Community's Transnational Access Program CALIPSOplus. E.S. acknowledges the Spanish project RTI2018-093996-B-C32 MICINN/FEDER funds. Air Liquide is acknowledged for supporting this research. The authors acknowledge SOLEIL for the provision of synchrotron radiation facilities and would like to thank Dr. Alessandro Coati for assistance in using beamline SiXS. The GIWAXS experiments were performed at NCD-SWEET beamline at ALBA Synchrotron with the collaboration of ALBA staff . |
Approved |
no |
Call Number |
UA @ admin @ c:irua:189541 |
Serial |
8928 |
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Author |
Reyntjens, P.; Van de Put, M.; Vandenberghe, W.G.; Sorée, B. |
Title |
Ultrascaled graphene-capped interconnects : a quantum mechanical study |
Type |
P1 Proceeding |
Year |
2023 |
Publication |
Proceedings of the IEEE ... International Interconnect Technology Conference
T2 – IEEE International Interconnect Technology Conference (IITC) / IEEE, Materials for Advanced Metallization Conference (MAM), MAY 22-25, 2023, Dresden, Germany |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-3 |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
Abstract |
In this theoretical study, we assess the impact of a graphene capping layer on the resistivity of defective, extremely scaled interconnects. We investigate the effect of graphene capping on the electronic transport in ultrascaled interconnects, in the presence of grain boundary defects in the metal layer. We compare the results obtained using our quantum mechanical model to a simple parallel-conductor model and find that the parallel-conductor model does not capture the effect of the graphene cap correctly. At 0.5 nm metal thickness, the parallel-conductor model underestimates the conductivity by 3.0% to 4.0% for single-sided and double sided graphene capping, respectively. |
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Wos |
001027381700006 |
Publication Date |
2023-06-24 |
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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 |
979-83-503-1097-9 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Times cited |
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Open Access |
Not_Open_Access |
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:198343 |
Serial |
8949 |
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Author |
Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B. |
Title |
Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides |
Type |
A1 Journal article |
Year |
2023 |
Publication |
ACS applied electronic materials |
Abbreviated Journal |
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Volume |
5 |
Issue |
11 |
Pages |
5852-5863 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively. |
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Wos |
001096792500001 |
Publication Date |
2023-10-26 |
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 |
2637-6113 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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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 |
Call Number |
UA @ admin @ c:irua:201198 |
Serial |
9026 |
Permanent link to this record |
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Author |
Hugenschmidt, M.; Jannis, D.; Kadu, A.A.; Grünewald, L.; De Marchi, S.; Perez-Juste, J.; Verbeeck, J.; Van Aert, S.; Bals, S. |
Title |
Low-dose 4D-STEM tomography for beam-sensitive nanocomposites |
Type |
A1 Journal article |
Year |
2023 |
Publication |
ACS materials letters |
Abbreviated Journal |
|
Volume |
6 |
Issue |
1 |
Pages |
165-173 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Electron tomography is essential for investigating the three-dimensional (3D) structure of nanomaterials. However, many of these materials, such as metal-organic frameworks (MOFs), are extremely sensitive to electron radiation, making it difficult to acquire a series of projection images for electron tomography without inducing electron-beam damage. Another significant challenge is the high contrast in high-angle annular dark field scanning transmission electron microscopy that can be expected for nanocomposites composed of a metal nanoparticle and an MOF. This strong contrast leads to so-called metal artifacts in the 3D reconstruction. To overcome these limitations, we here present low-dose electron tomography based on four-dimensional scanning transmission electron microscopy (4D-STEM) data sets, collected using an ultrafast and highly sensitive direct electron detector. As a proof of concept, we demonstrate the applicability of the method for an Au nanostar embedded in a ZIF-8 MOF, which is of great interest for applications in various fields, including drug delivery. |
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 |
001141178500001 |
Publication Date |
2023-12-11 |
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 |
2639-4979 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Times cited |
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Open Access |
Not_Open_Access |
Notes |
This work was supported by the European Research Council (Grant 815128 REALNANO to S.B., Grant 770887 PICOMETRICS to S.V.A.). J.P.-J. and S.M. acknowledge financial support from the MCIN/AEI/10.13039/501100011033 (Grants No. PID2019-108954RB-I00) and EU Horizon 2020 research and innovation program under grant agreement no. 883390 (SERSing). J.V., S.B., S.V.A., and L.G. acknowledge funding from the Flemish government (iBOF-21-085 PERsist). |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:202771 |
Serial |
9053 |
Permanent link to this record |
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Author |
Kumar, M.; Sengupta, A.; Kummamuru, N.B. |
Title |
Molecular simulations for carbon dioxide capture in silica slit pores |
Type |
A3 Journal article |
Year |
2023 |
Publication |
Materials Today: Proceedings |
Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
1-9 |
Keywords |
A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations to quantify CO2 capture inside porous silica at high operating temperatures of 673.15 K and 873.15 K; and over a operating pressure range of 500 kPa – 4000 kPa that are methane steam reforming process parameters. Related chemical potential values at these thermodynamic conditions are obtained from the bulk phase simulations in the Canonical ensemble in conjunction with Widom’s insertion technique, where the CO2 has been accurately represented by TraPPE force field. Present structure of the porous silica is a single slit pore geometry of various heights (H = 20 Å, 31.6 Å, 63.2 Å and 126.5 Å), dimensions in which possible vapour-liquid equilibria for generic square well fluids has been reported in literature. Estimation of the pore-fluid interactions show a higher interaction between silica pore and adsorbed CO2 compared to the reported pore-fluid interactions between homogeneous carbon slit pore and adsorbed CO2; thus resulting in an enhancement of adsorption inside silica pores of H = 20 Å and H = 126.5 Å, which are respectively 3.5 times and 1.5 times higher than that in homogeneous carbon slit pores of same dimensions and at 673.15 K and 500 kPa. Estimated local density plots indicate the presence of structured layers due to more molecular packing, which confirms possible liquid-like and vapour-like phase coexistence of the supercritical bulk phase CO2 under confinement. |
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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Language |
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Wos |
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Publication Date |
2023-05-06 |
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 |
2214-7853 |
ISBN |
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Additional Links |
UA library record |
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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 @ admin @ c:irua:200944 |
Serial |
9058 |
Permanent link to this record |
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Author |
Wu, X.; Ding, J.; Cui, W.; Lin, W.; Xue, Z.; Yang, Z.; Liu, J.; Nie, X.; Zhu, W.; Van Tendeloo, G.; Sang, X. |
Title |
Enhanced electrical properties of Bi2-xSbxTe3 nanoflake thin films through interface engineering |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Energy & environment materials |
Abbreviated Journal |
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Volume |
|
Issue |
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Pages |
e12755-8 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The structure-property relationship at interfaces is difficult to probe for thermoelectric materials with a complex interfacial microstructure. Designing thermoelectric materials with a simple, structurally-uniform interface provides a facile way to understand how these interfaces influence the transport properties. Here, we synthesized Bi2-xSbxTe3 (x = 0, 0.1, 0.2, 0.4) nanoflakes using a hydrothermal method, and prepared Bi2-xSbxTe3 thin films with predominantly (0001) interfaces by stacking the nanoflakes through spin coating. The influence of the annealing temperature and Sb content on the (0001) interface structure was systematically investigated at atomic scale using aberration-corrected scanning transmission electron microscopy. Annealing and Sb doping facilitate atom diffusion and migration between adjacent nanoflakes along the (0001) interface. As such it enhances interfacial connectivity and improves the electrical transport properties. Interfac reactions create new interfaces that increase the scattering and the Seebeck coefficient. Due to the simultaneous optimization of electrical conductivity and Seebeck coefficient, the maximum power factor of the Bi1.8Sb0.2Te3 nanoflake films reaches 1.72 mW m(-1) K-2, which is 43% higher than that of a pure Bi2Te3 thin film. |
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 |
001204495900001 |
Publication Date |
2024-04-18 |
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 |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
Call Number |
UA @ admin @ c:irua:205438 |
Serial |
9148 |
Permanent link to this record |
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Author |
Hadermann, J.; Pérez, O.; Créon, N.; Michel, C.; Hervieu, M. |
Title |
The (3 + 2)D structure of oxygen deficient LaSrCuO3.52 |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
Volume |
17 |
Issue |
22 |
Pages |
2344-2350 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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 |
Cambridge |
Editor |
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Language |
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Wos |
000247349400020 |
Publication Date |
2007-04-18 |
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 |
0959-9428;1364-5501; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
7 |
Open Access |
|
Notes |
Supergmr:Hprn-Ct-2000-0021 |
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:64749 c:irua:64749 |
Serial |
13 |
Permanent link to this record |
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Author |
Cao, S.; Tirry, W.; van den Broek, W.; Schryvers, D. |
Title |
3D reconstruction of Ni4Ti3 precipitates in a Ni51Ti49 alloy in a FIB/SEM dual-beam system |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Materials science forum |
Abbreviated Journal |
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Volume |
583 |
Issue |
|
Pages |
277-284 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
Ni4Ti3 precipitates play an important role in the shape memory and superelastic behaviour of thermo-mechanically treated Ni-Ti material. The 3D morphology and distribution of such precipitates with lenticular shape and rhombohedral atomic structure in the austenitic B2 matrix of a binary Ni-rich Ni-Ti alloy has been elucidated via a slice view procedure in a Dual-Beam FIB/SEM system. With the sequence of cross-section SE images obtained from the SEM, a 3D reconstruction has been achieved after proper alignment and image processing, from which both qualitative and quantitative analysis can be performed. Careful imaging is needed to ensure that all variants of the precipitates are observed with equal probability, regardless sample orientation. Moreover, due to the weak contrast of the precipitates, proper imaging conditions need to be selected to allow for semi-automated image treatment. Finally, a volume ratio of 10.2% for the Ni4Ti3 precipitates could be calculated, summed over all variants, which yields a net composition of Ni50.36Ti49.64 for the matrix, leading to an increase of 113 degrees for the martensitic start temperature Ms. Also, the expected relative orientation of the different variants of the precipitates could be confirmed. In the near future, other quantitative measures on the distribution of the precipitates can be expected. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
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Publication Date |
2009-03-11 |
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 |
1662-9752; |
ISBN |
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Additional Links |
UA library record |
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Times cited |
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Open Access |
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Notes |
Multimat; Fwo |
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:77454 |
Serial |
16 |
Permanent link to this record |
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Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Ab initio approach to superexchange interactions in alkali doped fullerides AC60 |
Type |
P1 Proceeding |
Year |
2004 |
Publication |
AIP conference proceedings
T2 – 18th International Winterschool/Euroconference on Electronic Properties, of Novel Materials, MAR 06-JUN 13, 2004, Kirchberg, AUSTRIA |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
393-396 |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
Abstract |
The superexchange interactions between the fullerenes arise as a result of the electron transfer from the C-60 molecule to the alkali atom and back. We present a scheme, which is a configuration interaction approach based on the valence bond (Heitler-London) method. The effect of superexchange is described together with chemical bonding by constructing and solving a secular equation, rather than by using a perturbation treatment. We have considered 180degrees and 90degrees superexchange for the C-60 Cs-C-60 pathways. The calculations account for unusual electronic properties of polymer orthorhombic and quenched cubic phases of CsC60: two lines in nuclear magnetic resonance experiments, the development of a spin-singlet ground state and a decrease of magnetic susceptibility as T-->0. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York |
Editor |
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Language |
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Wos |
000224699400085 |
Publication Date |
2004-11-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
723 |
Series Issue |
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Edition |
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ISSN |
0-7354-0204-3 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
Call Number |
UA @ lucian @ c:irua:103752 |
Serial |
27 |
Permanent link to this record |