| Records |
| Author |
Lu, Y. |
| Title |
Electron energy-loss spectroscopy (EELS) characterization of diamond and related materials |
Type |
Doctoral thesis |
| Year |
2013 |
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) |
| Abstract |
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| Address |
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Thesis |
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| Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Wos |
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Publication Date |
0000-00-00 |
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Series Title |
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Abbreviated Series Title |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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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:111231 |
Serial |
932 |
| Permanent link to this record |
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| Author |
Amelinckx, S.; Bernaerts, D.; Van Tendeloo, G.; van Landuyt, J.; Lucas, A.A.; Mathot, M.; Lambin, P. |
| Title |
The morphology, structure and texture of carbon nanotubes: an electron microscopy study |
Type |
P3 Proceeding |
| Year |
1995 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
515-541 |
| Keywords |
P3 Proceeding; 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 |
World Scientific |
Place of Publication |
Singapore |
Editor |
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| Language |
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Wos |
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Publication Date |
0000-00-00 |
| 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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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 |
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Approved |
no |
| Call Number |
UA @ lucian @ c:irua:13294 |
Serial |
2207 |
| Permanent link to this record |
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| |
| Author |
Paulussen, S.; Sels, B.; Bogaerts, A.; Paul, J. |
| Title |
Een tweede leven voor broeikasgassen? |
Type |
A2 Journal article |
| Year |
2008 |
Publication |
Het ingenieursblad : maandblad van de Koninklijke Vlaamse Ingenieursvereniging KVIV |
Abbreviated Journal |
|
| Volume |
77 |
Issue |
3 |
Pages |
16-20 |
| Keywords |
A2 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Antwerpen |
Editor |
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| Language |
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Wos |
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Publication Date |
0000-00-00 |
| 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 |
0020-1235 |
ISBN |
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Additional Links |
UA library record |
| 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 |
| Call Number |
UA @ lucian @ c:irua:82308 |
Serial |
3765 |
| Permanent link to this record |
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| |
| Author |
Storme, P.; Selucká, A.; Rapouch, K.; Mazík, M.; Vanmeert, F.; Janssens, K.; Van de Voorde, L.; Vekemans, B.; Vincze, L.; Caen, J.; De Wael, K. |
| Title |
Composition and corrosion forms on archaeological and non-archaeological historic printing letters from the Moravian Museum, Memorial of Kralice Bible, the Czech Republic and the Museum Plantin-Moretus Antwerp, Belgium |
Type |
P1 Proceeding |
| Year |
2015 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
59-65 |
| Keywords |
P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
| Abstract |
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| Address |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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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 |
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Series Issue |
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Edition |
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| ISSN |
978-2-87522-152-0; 0770-8505 |
ISBN |
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Additional Links |
UA library record |
| 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 @ admin @ c:irua:126909 |
Serial |
5535 |
| Permanent link to this record |
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| |
| Author |
Blust, R.J.P.; Dardenne, F.; De Wael, K.; Nagels, L.; Van Camp, G. |
| Title |
Electrochemical aptasensors with a gelatin B matrix : EP13175128 |
Type |
Patent |
| Year |
2013 |
Publication |
|
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Patent; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
An aptamer-based electrochemical sensor, wherein said aptamer is covalently bonded to or chemisorbed on an electrode, said aptamer forming a robust complex with a target molecule and is encapsulated by a gelatin B matrix; a method of manufacturing an aptamer-based electrochemical sensor for determining a concentration of a target molecule comprising the steps of: selecting an aptamer to form a robust complex with a target molecule using the SELEX procedure; synthesizing said aptamer; adsorbing said aptamer on or covalently coupling said aptamer with an electrode; and providing a gelatin B matrix for said aptamer on said electrode thereby realising said aptamer-based potentiometric or amperometric sensor; and the use of the aptamer-based electrochemical sensor produced according to the above method for the electrochemical determination of a concentration of 15 the target molecule. |
| Address |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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Publication Date |
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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 |
| 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 @ admin @ c:irua:109364 |
Serial |
5587 |
| Permanent link to this record |
| |
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| |
| Author |
Hofman, J.; Castanheiro, A.; Nuyts, G.; Joosen, S.; Spassov, S.; Blust, R.; De Wael, K.; Lenaerts, S.; Samson, R. |
| Title |
Impact of urban street canyon architecture on local atmospheric pollutant levels and magneto-chemical PM10 composition : an experimental study in Antwerp, Belgium |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
The science of the total environment |
Abbreviated Journal |
Sci Total Environ |
| Volume |
712 |
Issue |
712 |
Pages |
135534 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
As real-life experimental data on natural ventilation of atmospheric pollution levels in urban street canyons is still scarce and has proven to be complex, this study, experimentally evaluated the impact of an urban street canyon opening on local atmospheric pollution levels, during a 2-week field campaign in a typical urban street canyon in Antwerp, Belgium. Besides following up on atmospheric particulate matter (PM), ultrafine particles (UFPs) and black carbon (BC) levels, the magneto-chemical PM10 composition was quantified to identify contributions of specific elements in enclosed versus open street canyon sections. Results indicated no higher overall PM, UFP and BC concentrations at the enclosed site compared to the open site, but significant day-to-day variability between both monitoring locations, depending on the experienced wind conditions. On days with oblique wind regimes (4 out of 14), natural ventilation was observed at the open location while higher element contributions of Ca, Fe, Co, Ni, Cu, Zn and Sr were exhibited at the enclosed location. Magnetic properties correlated with the PM10 filter loading, and elemental content of Fe, Cr, Mn and Ti. Magnetic bivariate ratios identified finel-grained magnetite carriers with grain sizes below 0.1 μm, indicating similar magnetic source contributions at both monitoring locations. Our holistic approach, combining atmospheric monitoring with magneto-chemical PM characterization has shown the complex impact of real-life wind flow regimes, different source contributions and local traffic dynamics on the resulting pollutant concentrations and contribute to a better understanding on the urban ventilation processes of atmospheric pollution. |
| 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 |
000512369600078 |
Publication Date |
2019-11-25 |
| 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 |
0048-9697 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.9 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.9 |
| Call Number |
UA @ admin @ c:irua:165459 |
Serial |
5654 |
| Permanent link to this record |
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| |
| Author |
Hellar-Kihampa, H.; De Wael, K.; Lugwisha, E.; Van Grieken, R. |
| Title |
Water quality assessment in Pangani river basin, Tanzania : natural and anthropogenic influences on concentrations of nutrients and inorganic ions |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
International journal of river basin management |
Abbreviated Journal |
|
| Volume |
11 |
Issue |
1 |
Pages |
55-75 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
The ongoing rapid expansions of human activities and population dynamics have potential impact on the environmental quality of the Pangani river basin, one of the largest water resources in Tanzania, including possible loadings of different kinds of micro-contaminants. However, specific extents of the impacts are rather not well investigated. In this work, we assessed the environmental quality of the basin, based on seasonal characterisation of physicochemical water and sediments parameters, dissolved inorganic ions and nutrient loads. The contributions of geochemical processes and land-use practices were evaluated by multivariate correlations and principal component analysis (PCA). Hierarchical cluster analysis was used to classify similar water quality stations and identify the most and least enriched ones. Surface waters were slightly alkaline, characterised by low total dissolved solids (48652 mg/L). Extremely low oxygen concentration (2.0 mg/L) was also a cause of concern at one station. The Na+ and HCO3 − ions provided the dominant cation and anion, respectively. PCA identified weathering of carbonate and Na+ bearing rocks, gypsum dissolution and atmospheric deposition of sea-salt as the major factors controlling the ionic composition, contributing more than 60% of the spatial variance. Concentration profiles of the chemical species showed a generally low level of anthropogenic inputs, except at a few locations where nitrate and nitrite were significantly enriched above the limits of safe exposure, with patterns indicating influences of farming and livestock keeping. A seasonal difference was observed, with lower ion concentrations during the rainy season, likely due to the dilution effect of increased water discharge. The study provides new insights into the environmental quality of the basin, and indicates the need for continuous monitoring and assessment of the chemical species in the area. |
| 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 |
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Publication Date |
2013-01-07 |
| 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 |
1571-5124 |
ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:104621 |
Serial |
5909 |
| Permanent link to this record |
| |
|
| |
| Author |
Van Eynde, E.; Tytgat, T.; Smits, M.; Verbruggen, S.; Hauchecorne, B.; Blust, R.; Lenaerts, S. |
| Title |
Diatom silica-titania materials for photocatalytic air purification |
Type |
A2 Journal article |
| Year |
2013 |
Publication |
Communications in agricultural and applied biological sciences |
Abbreviated Journal |
|
| Volume |
1 |
Issue |
1 |
Pages |
141-147 |
| Keywords |
A2 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| 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 |
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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 |
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Series Issue |
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Edition |
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| ISSN |
1379-1176 |
ISBN |
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Additional Links |
UA library record |
| 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 @ admin @ c:irua:105334 |
Serial |
5943 |
| Permanent link to this record |
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| |
| Author |
Potters, G.; Schoeters, G.; Tytgat, T.; Horvath, G.; Ludecke, C.; Cool, P.; Lenaerts, S.; Appels, L.; Dewil, R. |
| Title |
Pyrolysis kinetics of bamboo material |
Type |
P3 Proceeding |
| Year |
2010 |
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 |
P3 Proceeding; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL) |
| 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 |
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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 |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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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:82445 |
Serial |
5987 |
| Permanent link to this record |
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| |
| Author |
Lumbeeck, G. |
| Title |
Mechanisms of nano-plasticity in as-deposited and hydrided nanocrystalline Pd and Ni thin films |
Type |
Doctoral thesis |
| Year |
2019 |
Publication |
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Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
130 p. |
| Keywords |
Doctoral thesis; 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 |
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Editor |
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| Language |
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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 |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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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:164918 |
Serial |
6309 |
| Permanent link to this record |
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| |
| Author |
Bottari, F.; Daems, E.; de Vries, A.-M.; Van Wielendaele, P.; Trashin, S.; Blust, R.; Sobott, F.; Madder, A.; Martins, J.C.; De Wael, K. |
| Title |
Do aptamers always bind? The need for a multifaceted analytical approach when demonstrating binding affinity between aptamer and low molecular weight compounds |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of The American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| Volume |
142 |
Issue |
46 |
Pages |
jacs.0c08691-19630 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Medical Biochemistry |
| Abstract |
In this manuscript, we compare different analytical methodologies to validate or disprove the binding capabilities of aptamer sequences. This was prompted by the lack of a universally accepted and robust quality control protocol for the characterization of aptamer performances coupled with the observation of independent yet inconsistent data sets in the literature. As an example, we chose three aptamers with a reported affinity in the nanomolar range for ampicillin, a β-lactam antibiotic, used as biorecognition elements in several detection strategies described in the literature. Application of a well-known colorimetric assay based on aggregation of gold nanoparticles (AuNPs) yielded conflicting results with respect to the original report. Therefore, ampicillin binding was evaluated in solution using isothermal titration calorimetry (ITC), native nano-electrospray ionization mass spectrometry (native nESI-MS), and 1H-nuclear magnetic resonance spectroscopy (1H NMR). By coupling the thermodynamic data obtained with ITC with the structural information on the binding event given by native nESI-MS and 1H NMR we could verify that none of the ampicillin aptamers show any specific binding with their intended target. The effect of AuNPs on the binding event was studied by both ITC and 1H NMR, again without providing positive evidence of ampicillin binding. To validate the performance of our analytical approach, we investigated two well-characterized aptamers for cocaine/quinine (MN4), chosen for its nanomolar range affinity, and l-argininamide (1OLD) to show the versatility of our approach. The results clearly indicate the need for a multifaceted analytical approach, to unequivocally establish the actual detection potential and performance of aptamers aimed at small organic molecules. |
| 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 |
000592911000024 |
Publication Date |
2020-11-09 |
| 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 |
0002-7863 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
15 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 15; 2020 IF: 13.858 |
| Call Number |
UA @ admin @ c:irua:173136 |
Serial |
6488 |
| Permanent link to this record |
| |
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| |
| Author |
Geerts, R.; Vandermoere, F.; Halet, D.; Van Winckel, T.; Joos, P.; Van Den Steen, K.; Van Meenen, E.; Blust, R.; Vlaeminck, S.E. |
| Title |
Ik drink (geen) afval! Een exploratieve studie naar socio-demografische verschillen in publieke steun voor het hergebruik van afvalwater in Vlaanderen |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Vlaams tijdschrift voor overheidsmanagement |
Abbreviated Journal |
|
| Volume |
|
Issue |
3 |
Pages |
51-69 |
| Keywords |
A1 Journal article; Sociology; Sustainable Energy, Air and Water Technology (DuEL); Centre for Research on Environmental and Social Change |
| Abstract |
In een context van stijgende waterschaarste verkennen wij, naar ons weten voor het eerst in Vlaanderen, publieke steun voor de behandeling en het hergebruik van afvalwater als drinkwater. Vlaanderen is vandaag een van de weinige regio’s waar afvalwater reeds gerecycleerd wordt voor drinkwaterdoeleinden. Dit gebeurt op kleinschalig niveau en de uitbreiding hiervan is vandaag een van de Vlaamse beleidsdoelstellingen. Internationale voorbeelden toonden echter dat een gebrek aan publieke steun een aanzienlijk obstakel kan zijn. Vaak worden gezondheids- en veiligheidsbezorgdheden aangehaald als oorzaak voor het beperkte draagvlak. Minder is geweten over de socio-demografische distributie van dit draagvlak. Daarbovenop blijft er onduidelijkheid over de samenhang tussen socio-demografische kenmerken en gezondheids- en veiligheidsbezorgdheden. Met behulp van een enquête uitgevoerd in Vlaanderen (N=2309), bestudeerden wij ten eerste deze socio-demografische verschillen op basis van bivariate associaties (gender, opleidingsniveau, leeftijd en woonplaats). Ten tweede construeerden we een padmodel om te onderzoeken of deze verschillen verklaard kunnen worden aan de hand van gezondheids- en veiligheidsbezorgdheden. Onze resultaten toonden dat publieke steun voor afvalwaterhergebruik voor drinkwaterdoeleinden in Vlaanderen beperkt is. Het draagvlak was het laagst bij oudere mensen, vrouwen, lager geschoolde groepen en mensen die niet in de Provincie Antwerpen wonen. Voor een groot deel konden socio-demografische verschillen verklaard worden door hogere gezondheids- en veiligheidsbezorgdheden bij vrouwen, lager geschoolden en mensen uit West- en Oost-Vlaanderen. Dit suggereert een gebrek aan vertrouwen in waterexperts en -technologie bij bepaalde socio-demografische groepen, wat zich vertaalt in een verminderde publieke steun voor afvalwaterhergebruik. Op basis van deze bevindingen bespreken we een aantal potentiële actiestrategieën om publieke oppositie te anticiperen en proactief publieke steun te verwerven via doelgerichte (risico)communicatie. |
| 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 |
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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 |
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Series Issue |
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Edition |
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| ISSN |
1373-0509 |
ISBN |
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Additional Links |
UA library record |
| 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 @ admin @ c:irua:171478 |
Serial |
6541 |
| Permanent link to this record |
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| |
| Author |
Kaliyappan, P.; Paulus, A.; D’Haen, J.; Samyn, P.; Uytdenhouwen, Y.; Hafezkhiabani, N.; Bogaerts, A.; Meynen, V.; Elen, K.; Hardy, A.; Van Bael, M.K. |
| Title |
Probing the impact of material properties of core-shell SiO₂@TiO₂ spheres on the plasma-catalytic CO₂ dissociation using a packed bed DBD plasma reactor |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Co2 Utilization |
Abbreviated Journal |
J Co2 Util |
| Volume |
46 |
Issue |
|
Pages |
101468 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Plasma catalysis, a promising technology for conversion of CO2 into value-added chemicals near room temperature, is gaining increasing interest. A dielectric barrier discharge (DBD) plasma has attracted attention due to its simple design and operation at near ambient conditions, ease to implement catalysts in the plasma zone and upscaling ability to industrial applications. To improve its main drawbacks, being relatively low conversion and energy efficiency, a packing material is used in the plasma discharge zone of the reactor, sometimes decorated by a catalytic material. Nevertheless, the extent to which different properties of the packing material influence plasma performance is still largely unexplored and unknown. In this study, the particular effect of synthesis induced differences in the morphology of a TiO2 shell covering a SiO2 core packing material on the plasma conversion of CO2 is studied. TiO2 has been successfully deposited around 1.6–1.8 mm sized SiO2 spheres by means of spray coating, starting from aqueous citratoperoxotitanate(IV) precursors. Parameters such as concentration of the Ti(IV) precursor solutions and addition of a binder were found to affect the shells’ properties and surface morphology and to have a major impact on the CO2 conversion in a packed bed DBD plasma reactor. Core-shell SiO2@TiO2 obtained from 0.25 M citratoperoxotitante(IV) precursors with the addition of a LUDOX binder showed the highest CO2 conversion 37.7% (at a space time of 70 s corresponding to an energy efficiency of 2%) and the highest energy efficiency of 4.8% (at a space time of 2.5 s corresponding to a conversion of 3%). |
| 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 |
000634280300004 |
Publication Date |
2021-02-15 |
| 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 |
2212-9820 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.292 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 4.292 |
| Call Number |
UA @ admin @ c:irua:175958 |
Serial |
6773 |
| Permanent link to this record |
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|
| |
| Author |
Bartholomeeusen, E.; De Cremer, G.; Kennes, K.; Hammond, C.; Hermans, I.; Lu, J.-B.; Schryvers, D.; Jacobs, P.A.; Roeffaers, M.B.J.; Hofkens, J.; Sels, B.F.; Coutino-Gonzalez, E. |
| Title |
Optical encoding of luminescent carbon nanodots in confined spaces |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Chemical Communications |
Abbreviated Journal |
Chem Commun |
| Volume |
57 |
Issue |
90 |
Pages |
11952-11955 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Stable emissive carbon nanodots were generated in zeolite crystals using near infrared photon irradiation gradually converting the occluded organic template, originally used to synthesize the zeolite crystals, into discrete luminescent species consisting of nano-sized carbogenic fluorophores, as ascertained using Raman microscopy, and steady-state and time-resolved spectroscopic techniques. Photoactivation in a confocal laser fluorescence microscope allows 3D resolved writing of luminescent carbon nanodot patterns inside zeolites providing a cost-effective and non-toxic alternative to previously reported metal-based nanoclusters confined in zeolites, and opens up opportunities in bio-labelling and sensing applications. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000711122000001 |
Publication Date |
2021-10-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-7345; 1364-548x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.319 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 6.319 |
| Call Number |
UA @ admin @ c:irua:184147 |
Serial |
6876 |
| Permanent link to this record |
| |
|
| |
| Author |
Idrissi, H.; Samaee, V.; Lumbeeck, G.; van der Werf, T.; Pardoen, T.; Schryvers, D.; Cordier, P. |
| Title |
Supporting data for “In situ Quantitative Tensile Tests on Antigorite in a Transmission Electron Microscope” |
Type |
Dataset |
| Year |
2019 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Dataset; Electron microscopy for materials research (EMAT) |
| Abstract |
The determination of the mechanical properties of serpentinites is essential towards the understanding of the mechanics of faulting and subduction. Here, we present the first in situ tensile tests on antigorite in a transmission electron microscope. A push-to-pull deformation device is used to perform quantitative tensile tests, during which force and displacement are measured, while the microstructure is imaged with the microscope. The experiments have been performed at room temperature on beams prepared by focused ion beam. The specimens are not single crystals despite their small sizes. Orientation mapping indicated that some grains were well-oriented for plastic slip. However, no dislocation activity has been observed even though engineering tensile stress went up to 700 MPa. We show also that antigorite does not exhibit an pure elastic-brittle behaviour since, despite the presence of defects, the specimens underwent plastic deformation and did not fail within the elastic regime. Instead, we observe that strain localizes at grain boundaries. All observations concur to show that under our experimental conditions, grain boundary sliding is the dominant deformation mechanism. This study sheds a new light on the mechanical properties of antigorite and calls for further studies on the structure and properties of grain boundaries in antigorite and more generally in phyllosilicates. |
| 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 |
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Publication Date |
|
| 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 |
no |
| Call Number |
UA @ admin @ c:irua:169107 |
Serial |
6891 |
| Permanent link to this record |
| |
|
| |
| Author |
Lu, W.; Cui, W.; Zhao, W.; Lin, W.; Liu, C.; Van Tendeloo, G.; Sang, X.; Zhao, W.; Zhang, Q. |
| Title |
In situ atomistic insight into magnetic metal diffusion across Bi0.5Sb1.5Te3 quintuple layers |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
| Volume |
|
Issue |
|
Pages |
2102161 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Diffusion and occupancy of magnetic atoms in van der Waals (VDW) layered materials have significant impact on applications such as energy storage, thermoelectrics, catalysis, and topological phenomena. However, due to the weak VDW bonding, most research focus on in-plane diffusion within the VDW gap, while out-of-plane diffusion has rarely been reported. Here, to investigate out-of-plane diffusion in VDW-layered Bi2Te3-based alloys, a Ni/Bi0.5Sb1.5Te3 heterointerface is synthesized by depositing magnetic Ni metal on a mechanically exfoliated Bi0.5Sb1.5Te3 (0001) substrate. Diffusion of Ni atoms across the Bi0.5Sb1.5Te3 quintuple layers is directly observed at elevated temperatures using spherical-aberration-corrected scanning transmission electron microscopy (STEM). Density functional theory calculations demonstrate that the diffusion energy barrier of Ni atoms is only 0.31-0.45 eV when they diffuse through Te-3(Bi, Sb)(3) octahedron chains. Atomic-resolution in situ STEM reveals that the distortion of the Te-3(Bi, Sb)(3) octahedron, induced by the Ni occupancy, drives the formation of coherent NiM (M = Bi, Sb, Te) at the heterointerfaces. This work can lead to new strategies to design novel thermoelectric and topological materials by introducing magnetic dopants to VDW-layered materials. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000751742300001 |
Publication Date |
2022-02-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2196-7350 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.4 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 5.4 |
| Call Number |
UA @ admin @ c:irua:186421 |
Serial |
6960 |
| Permanent link to this record |
| |
|
| |
| Author |
Zalalutdinov, M.K.; Robinson, J.T.; Fonseca, J.J.; LaGasse, S.W.; Pandey, T.; Lindsay, L.R.; Reinecke, T.L.; Photiadis, D.M.; Culbertson, J.C.; Cress, C.D.; Houston, B.H. |
| Title |
Acoustic cavities in 2D heterostructures |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Nature Communications |
Abbreviated Journal |
Nat Commun |
| Volume |
12 |
Issue |
1 |
Pages |
3267 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional (2D) materials offer unique opportunities in engineering the ultrafast spatiotemporal response of composite nanomechanical structures. In this work, we report on high frequency, high quality factor (Q) 2D acoustic cavities operating in the 50-600GHz frequency (f) range with f x Q up to 1 x 10(14). Monolayer steps and material interfaces expand cavity functionality, as demonstrated by building adjacent cavities that are isolated or strongly-coupled, as well as a frequency comb generator in MoS2/h-BN systems. Energy dissipation measurements in 2D cavities are compared with attenuation derived from phonon-phonon scattering rates calculated using a fully microscopic ab initio approach. Phonon lifetime calculations extended to low frequencies (<1THz) and combined with sound propagation analysis in ultrathin plates provide a framework for designing acoustic cavities that approach their fundamental performance limit. These results provide a pathway for developing platforms employing phonon-based signal processing and for exploring the quantum nature of phonons. Here, authors report on acoustic cavities in 2D materials operating in the 50-600GHz range and show that quality factors approach the limit set by lattice anharmonicity. Functionality expanded by heterogeneities (steps and interfaces) is demonstrated through coupled cavities and frequency comb generation. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000660772400004 |
Publication Date |
2021-06-01 |
| 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 |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 12.124 |
| Call Number |
UA @ admin @ c:irua:179597 |
Serial |
6968 |
| Permanent link to this record |
| |
|
| |
| Author |
Charalampopoulou, E.; Lambrinou, K.; Van der Donck, T.; Paladino, B.; Di Fonzo, F.; Azina, C.; Eklund, P.; Mraz, S.; Schneider, J.M.; Schryvers, D.; Delville, R. |
| Title |
Early stages of dissolution corrosion in 316L and DIN 1.4970 austenitic stainless steels with and without anticorrosion coatings in static liquid lead-bismuth eutectic (LBE) at 500 degrees C |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Materials Characterization |
Abbreviated Journal |
Mater Charact |
| Volume |
178 |
Issue |
|
Pages |
111234 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
This work addresses the early stages (<= 1000 h) of the dissolution corrosion behavior of 316L and DIN 1.4970 austenitic stainless steels in contact with oxygen-poor (C-O < 10(-8) mass%), static liquid lead-bismuth eutectic (LBE) at 500 degrees C for 600-1000 h. The objective of this study was to determine the relative early-stage resistance of the uncoated steels to dissolution corrosion and to assess the protectiveness of select candidate coatings (Cr2AlC, Al2O3, V2AlxCy). The simultaneous exposure of steels with intended differences in microstructure and thermomechanical state showed the effects of steel grain size, density of annealing/deformation twins, and secondary precipitates on the steel dissolution corrosion behavior. The findings of this study provide recommendations on steel manufacturing with the aim of using the steels to construct Gen-IV lead-cooled fast reactors. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000752582700001 |
Publication Date |
2021-06-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1044-5803 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.714 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 2.714 |
| Call Number |
UA @ admin @ c:irua:186509 |
Serial |
7061 |
| Permanent link to this record |
| |
|
| |
| Author |
Poulain, R.; Lumbeeck, G.; Hunka, J.; Proost, J.; Savolainen, H.; Idrissi, H.; Schryvers, D.; Gauquelin, N.; Klein, A. |
| Title |
Electronic and chemical properties of nickel oxide thin films and the intrinsic defects compensation mechanism |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
ACS applied electronic materials |
Abbreviated Journal |
|
| Volume |
4 |
Issue |
6 |
Pages |
2718-2728 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Although largely studied, contradictory results on nickel oxide (NiO) properties can be found in the literature. We herein propose a comprehensive study that aims at leveling contradictions related to NiO materials with a focus on its conductivity, surface properties, and the intrinsic charge defects compensation mechanism with regards to the conditions preparation. The experiments were performed by in situ photo-electron spectroscopy, electron energy loss spectroscopy, and optical as well as electrical measurements on polycrystalline NiO thin films prepared under various preparation conditions by reactive sputtering. The results show that surface and bulk properties were strongly related to the deposition temperature with in particular the observation of Fermi level pinning, high work function, and unstable oxygen-rich grain boundaries for the thin films produced at room temperature but not at high temperature (>200 degrees C). Finally, this study provides substantial information about surface and bulk NiO properties enabling to unveil the origin of the high electrical conductivity of room temperature NiO thin films and also for supporting a general electronic charge compensation mechanism of intrinsic defects according to the deposition temperature. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000819431200001 |
Publication Date |
2022-06-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2637-6113 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:189555 |
Serial |
7081 |
| Permanent link to this record |
| |
|
| |
| Author |
Hendrickx, M.; Paulus, A.; Kirsanova, M.A.; Van Bael, M.K.; Abakumov, A.M.; Hardy, A.; Hadermann, J. |
| Title |
The influence of synthesis method on the local structure and electrochemical properties of Li-rich/Mn-rich NMC cathode materials for Li-Ion batteries |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
| Volume |
12 |
Issue |
13 |
Pages |
2269-18 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Electrochemical energy storage plays a vital role in combating global climate change. Nowadays lithium-ion battery technology remains the most prominent technology for rechargeable batteries. A key performance-limiting factor of lithium-ion batteries is the active material of the positive electrode (cathode). Lithium- and manganese-rich nickel manganese cobalt oxide (LMR-NMC) cathode materials for Li-ion batteries are extensively investigated due to their high specific discharge capacities (>280 mAh/g). However, these materials are prone to severe capacity and voltage fade, which deteriorates the electrochemical performance. Capacity and voltage fade are strongly correlated with the particle morphology and nano- and microstructure of LMR-NMCs. By selecting an adequate synthesis strategy, the particle morphology and structure can be controlled, as such steering the electrochemical properties. In this manuscript we comparatively assessed the morphology and nanostructure of LMR-NMC (Li1.2Ni0.13Mn0.54Co0.13O2) prepared via an environmentally friendly aqueous solution-gel and co-precipitation route, respectively. The solution-gel (SG) synthesized material shows a Ni-enriched spinel-type surface layer at the {200} facets, which, based on our post-mortem high-angle annual dark-field scanning transmission electron microscopy and selected-area electron diffraction analysis, could partly explain the retarded voltage fade compared to the co-precipitation (CP) synthesized material. In addition, deviations in voltage fade and capacity fade (the latter being larger for the SG material) could also be correlated with the different particle morphology obtained for both materials. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000824547500001 |
Publication Date |
2022-07-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2079-4991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.3 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 5.3 |
| Call Number |
UA @ admin @ c:irua:189591 |
Serial |
7098 |
| Permanent link to this record |
| |
|
| |
| Author |
Omranian, S.R.; Geluykens, M.; Van Hal, M.; Hasheminejad, N.; Rocha Segundo, I.; Pipintakos, G.; Denys, S.; Tytgat, T.; Fraga Freitas, E.; Carneiro, J.; Verbruggen, S.; Vuye, C. |
| Title |
Assessing the potential of application of titanium dioxide for photocatalytic degradation of deposited soot on asphalt pavement surfaces |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Construction and building materials |
Abbreviated Journal |
Constr Build Mater |
| Volume |
350 |
Issue |
|
Pages |
128859-13 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
It is known that pollutants and their irreparable influence can considerably jeopardize the environment and human health. Such disastrous, growing, hazardous particles urged researchers to find effective ways and diminish their destructive impacts and preserve our planet. This study evaluates the potential of incorporating Titanium Dioxide (TiO2) semiconductor nanoparticles on asphalt pavements to degrade pollutants without compromising bitumen performance. Accordingly, the Response Surface Method (RSM) was employed to develop an experimental matrix based on the central composite design. Image Analysis (IA) was used to determine the rate of soot degradation (as pollutant representative) using MATLAB and ImageJ software. Confocal Laser Scanning Microscopy (CLSM), Fourier Transform Infrared spectroscopy (FTIR), and Dynamic Shear Rheometer (DSR) were finally carried out to estimate the effects of adding different percentages of TiO2 on the micro -structural features and dispersion of the TiO2, chemical fingerprinting, and rheological performance of the bituminous binder. The results showed a promising potential of TiO2 to degrade soot (over 50%) during the conducted experiments. In addition, the RSM outcomes showed that applying a higher amount of TiO2 is more efficient for pollutant degradation. Finally, no negative impact was observed, neither on the rheological behavior nor on the aging susceptibility of the bitumen, even though the homogenous dispersion of the TiO2 was clearly captured via CLSM. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000848227000001 |
Publication Date |
2022-08-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0950-0618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.4 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 7.4 |
| Call Number |
UA @ admin @ c:irua:189820 |
Serial |
7128 |
| Permanent link to this record |
| |
|
| |
| Author |
Demirkol, Ö.; Sevik, C.; Demiroğlu, I. |
| Title |
First principles assessment of the phase stability and transition mechanisms of designated crystal structures of pristine and Janus transition metal dichalcogenides |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
24 |
Issue |
12 |
Pages |
7430-7441 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional Transition Metal Dichalcogenides (TMDs) possessing extraordinary physical properties at reduced dimensionality have attracted interest due to their promise in electronic and optical device applications. However, TMD monolayers can show a broad range of different properties depending on their crystal phase; for example, H phases are usually semiconductors, while the T phases are metallic. Thus, controlling phase transitions has become critical for device applications. In this study, the energetically low-lying crystal structures of pristine and Janus TMDs are investigated by using ab initio Nudged Elastic Band and molecular dynamics simulations to provide a general explanation for their phase stability and transition properties. Across all materials investigated, the T phase is found to be the least stable and the H phase is the most stable except for WTe2, while the T' and T '' phases change places according to the TMD material. The transition energy barriers are found to be large enough to hint that even the higher energy phases are unlikely to undergo a phase transition to a more stable phase if they can be achieved except for the least stable T phase, which has zero barrier towards the T ' phase. Indeed, in molecular dynamics simulations the thermodynamically least stable T phase transformed into the T ' phase spontaneously while in general no other phase transition was observed up to 2100 K for the other three phases. Thus, the examined T ', T '' and H phases were shown to be mostly stable and do not readily transform into another phase. Furthermore, so-called mixed phase calculations considered in our study explain the experimentally observed lateral hybrid structures and point out that the coexistence of different phases is strongly stable against phase transitions. Indeed, stable complex structures such as metal-semiconductor-metal architectures, which have immense potential to be used in future device applications, are also possible based on our investigation. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000766791000001 |
Publication Date |
2022-02-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.3 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.3 |
| Call Number |
UA @ admin @ c:irua:187184 |
Serial |
7164 |
| Permanent link to this record |
| |
|
| |
| Author |
Lu, X.P.; Bruggeman, P.J.; Reuter, S.; Naidis, G.; Bogaerts, A.; Laroussi, M.; Keidar, M.; Robert, E.; Pouvesle, J.-M.; Liu, D.W.; Ostrikov, K.(K.) |
| Title |
Grand challenges in low temperature plasmas |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Frontiers in physics |
Abbreviated Journal |
|
| Volume |
10 |
Issue |
|
Pages |
1040658-12 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Low temperature plasmas (LTPs) enable to create a highly reactive environment at near ambient temperatures due to the energetic electrons with typical kinetic energies in the range of 1 to 10 eV (1 eV = 11600K), which are being used in applications ranging from plasma etching of electronic chips and additive manufacturing to plasma-assisted combustion. LTPs are at the core of many advanced technologies. Without LTPs, many of the conveniences of modern society would simply not exist. New applications of LTPs are continuously being proposed. Researchers are facing many grand challenges before these new applications can be translated to practice. In this paper, we will discuss the challenges being faced in the field of LTPs, in particular for atmospheric pressure plasmas, with a focus on health, energy and sustainability. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000878212000001 |
Publication Date |
2022-10-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2296-424x |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.1 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.1 |
| Call Number |
UA @ admin @ c:irua:192173 |
Serial |
7267 |
| Permanent link to this record |
| |
|
| |
| Author |
Gurel, T.; Altunay, Y.A.; Bulut, P.; Yildirim, S.; Sevik, C. |
| Title |
Comprehensive investigation of the extremely low lattice thermal conductivity and thermoelectric properties of BaIn₂Te₄ |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
106 |
Issue |
19 |
Pages |
195204-195210 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Recently, an extremely low lattice thermal conductivity value has been reported for the alkali-based telluride material BaIn2Te4. The value is comparable with low-thermal conductivity metal chalcogenides, and the glass limit is highly intriguing. Therefore, to shed light on this issue, we performed first-principles phonon thermal transport calculations. We predicted highly anisotropic lattice thermal conductivity along different directions via the solution of the linearized phonon Boltzmann transport equation. More importantly, we determined several different factors as the main sources of the predicted ultralow lattice thermal conductivity of this crystal, such as the strong interactions between low-frequency optical phonons and acoustic phonons, small phonon group velocities, and lattice anharmonicity indicated by large negative mode Gruneisen parameters. Along with thermal transport calculations, we also investigated the electronic transport properties by accurately calculating the scattering mechanisms, namely the acoustic deformation potential, ionized impurity, and polar optical scatterings. The inclusion of spin-orbit coupling (SOC) for electronic structure is found to strongly affect the p-type Seebeck coefficients. Finally, we calculated the thermoelectric properties accurately, and the optimal ZT value of p-type doping, which originated from high Seebeck coefficients, was predicted to exceed unity after 700 K and have a direction averaged value of 1.63 (1.76 in the y-direction) at 1000 K around 2 x 1020 cm-3 hole concentration. For n-type doping, a ZT around 3.2 x 1019 cm-3 concentration was predicted to be a direction-averaged value of 1.40 (1.76 in the z-direction) at 1000 K, mostly originating from its high electron mobility. With the experimental evidence of high thermal stability, we showed that the BaIn2Te4 compound has the potential to be a promising mid- to high-temperature thermoelectric material for both p-type and n-type systems with appropriate doping. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000918954800001 |
Publication Date |
2022-11-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.7 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.7 |
| Call Number |
UA @ admin @ c:irua:194384 |
Serial |
7290 |
| Permanent link to this record |
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| Author |
Yedukondalu, N.; Pandey, T.; Roshan, S.C.R. |
| Title |
Effect of hydrostatic pressure on lone pair activity and phonon transport in Bi₂O₂S |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
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| Volume |
6 |
Issue |
4 |
Pages |
2401-2411 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Dibismuth dioxychalcogenides, Bi2O2Ch (Ch = S, Se, Te), are a promising class of materials for next-generation electronics and thermoelectrics due to their ultrahigh carrier mobility and excellent air stability. An interesting member of this family is Bi2O2S, which has a stereochemically active 6s2 lone pair of Bi3+ cations, heterogeneous bonding, and a high mass contrast between its constituent elements. In the present study, we have used first-principles calculations in combination with Boltzmann transport theory to systematically investigate the effect of hydrostatic pressure on lattice dynamics and phonon transport properties of Bi2O2S. We found that the ambient Pnmn phase has a low average lattice thermal conductivity (kappa l) of 1.71 W/(m K) at 300 K. We also predicted that Bi2O2S undergoes a structural phase transition from a low-symmetry (Pnmn) to a high-symmetry (I4/mmm) structure at around 4 GPa due to centering of Bi3+ cations with pressure. Upon compression, the lone pair activity of Bi3+ cations is suppressed, which increases kappa l by almost 3 times to 4.92 W/ (m K) at 5 GPa for the I4/mmm phase. The computed phonon lifetimes and Gru''neisen parameters show that anharmonicity decreases with increasing pressure due to further suppression of the lone pair activity and strengthening of intra-and intermolecular interactions, leading to an average room-temperature kappa l of 12.82 W/(m K) at 20 GPa. Overall, this study provides a comprehensive understanding of the effect of hydrostatic pressure on the stereochemical activity of the lone pair of Bi3+ cations and its implications on the phonon transport properties of Bi2O2S. |
| 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 |
000929103700001 |
Publication Date |
2023-02-08 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
|
| ISSN |
2574-0962 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.4 |
Times cited |
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Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 6.4; 2023 IF: NA |
| Call Number |
UA @ admin @ c:irua:195245 |
Serial |
7300 |
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| Author |
Duden, E.I.; Savaci, U.; Turan, S.; Sevik, C.; Demiroglu, I. |
| Title |
Intercalation of argon in honeycomb structures towards promising strategy for rechargeable Li-ion batteries |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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| Volume |
35 |
Issue |
8 |
Pages |
085301-85311 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
High-performance rechargeable batteries are becoming very important for high-end technologies with their ever increasing application areas. Hence, improving the performance of such batteries has become the main bottleneck to transferring high-end technologies to end users. In this study, we propose an argon intercalation strategy to enhance battery performance via engineering the interlayer spacing of honeycomb structures such as graphite, a common electrode material in lithium-ion batteries (LIBs). Herein, we systematically investigated the LIB performance of graphite and hexagonal boron nitride (h-BN) when argon atoms were sent into between their layers by using first-principles density-functional-theory calculations. Our results showed enhanced lithium binding for graphite and h-BN structures when argon atoms were intercalated. The increased interlayer space doubles the gravimetric lithium capacity for graphite, while the volumetric capacity also increased by around 20% even though the volume was also increased. The ab initio molecular dynamics simulations indicate the thermal stability of such graphite structures against any structural transformation and Li release. The nudged-elastic-band calculations showed that the migration energy barriers were drastically lowered, which promises fast charging capability for batteries containing graphite electrodes. Although a similar level of battery promise was not achieved for h-BN material, its enhanced battery capabilities by argon intercalation also support that the argon intercalation strategy can be a viable route to enhance such honeycomb battery electrodes. |
| Address |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000899825400001 |
Publication Date |
2022-12-05 |
| 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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.7 |
Times cited |
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Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:193399 |
Serial |
7313 |
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| Author |
Yorulmaz, U.; Demiroglu, I.; Cakir, D.; Gulseren, O.; Sevik, C. |
| Title |
A systematicalab-initioreview of promising 2D MXene monolayers towards Li-ion battery applications |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
JPhys Energy |
Abbreviated Journal |
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| Volume |
2 |
Issue |
3 |
Pages |
032006 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional materials have been attracting increasing interests because of their outstanding properties for Lithium-ion battery applications. In particular, a material family called MXenes (Mn+1Cn, where n = 1, 2, 3) have been recently attracted immense interest in this respect due to their incomparable fast-charging properties and high capacity promises. In this article, we review the state-of-the-art computational progress on Li-ion battery applications of MXene materials in accordance with our systematical DFT calculations. Structural, mechanical, dynamical, and electrical properties of 20 distinct MXene (M: Sc, Ti, V, Cr, Nb, Mo, Hf, Ta, W, and Zr) have been discussed. The battery performances of these MXene monolayers are further investigated by Li-ion binding energies, open circuit voltage values, and Li migration energy barriers. The experimental and theoretical progress up to date demonstrates particularly the potential of non-terminated or pristine MXene materials in Li ion-storage applications. Stability analyses show most of the pristine MXenes should be achievable, however susceptible to the development progress on the experimental growth procedures. Among pristine MXenes, Ti2C, V2C, Sc2C, and Zr2C compounds excel with their high charge/discharge rate prospect due to their extremely low Li diffusion energy barriers. Considering also their higher predicted gravimetric capacities, Sc, Ti, V, and Zr containing MXenes are more promising for their utilization in energy storage applications. |
| Address |
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| Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000569868600001 |
Publication Date |
2020-07-16 |
| 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 |
2515-7655 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.9 |
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: 6.9; 2020 IF: NA |
| Call Number |
UA @ admin @ c:irua:193748 |
Serial |
7399 |
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| Author |
Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Cakir, D. |
| Title |
Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
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| Volume |
2 |
Issue |
2 |
Pages |
1251-1258 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Using first-principles calculations, we demonstrated that high lithium storage capacity and fast kinetics are achieved for Ti3C2O2 by preintercalating organic molecules. As a proof-of-concept, two different quinone molecules, namely 1,4-benzoquinone (C6H4O2) and tetrafluoro-1,4-benzoquinone (C6F4O2) were selected as the molecular linkers to demonstrate the feasibility of this interlayer engineering strategy for energy storage. As compared to Ti3C2O2 bilayer without linker molecules, our pillared structures facilitate a much faster ion transport, promising a higher charge/discharge rate for Li. For example, while the diffusion barrier of a single Li ion within pristine Ti3C2O2 bilayer is at least 1.0 eV, it becomes 0.3 eV in pillared structures, which is comparable and even lower than that of commercial materials. At high Li concentrations, the calculated diffusion barriers are as low as 0.4 eV. Out-of-plane migration of Li ions is hindered due to large barrier energy with a value of around 1-1.35 eV. Concerning storage capacity, we can only intercalate one monolayer of Li within pristine Ti3C2O2 bilayer. In contrast, pillared structures offer significantly higher storage capacity. Our calculations showed that at least two layers of Li can be intercalated between Ti3C2O2 layers without forming bulk Li and losing the pillared structure upon Li loading/unloading. A small change in the in-plane lattice parameters (<0.5%) and volume (<1.0%) and ab initio molecular dynamics simulations prove the stability of the pillared structures against Li intercalation and thermal effects. Intercalated molecules avoid the large contraction/expansion of the whole structure, which is one of the key problems in electrochemical energy storage. Pillared structures allow us to realize electrodes with high capacity and fast kinetics. Our results open new research paths for improving the performance of not only MXenes but also other layered materials for supercapacitor and battery applications. |
| Address |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000459948900037 |
Publication Date |
2019-01-04 |
| 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 |
2574-0962 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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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:193759 |
Serial |
7414 |
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| Author |
Sanchez-Barriga, J.; Aguilera, I.; Yashina, L., V; Tsukanova, D.Y.; Freyse, F.; Chaika, A.N.; Callaert, C.; Abakumov, A.M.; Hadermann, J.; Varykhalov, A.; Rienks, E.D.L.; Bihlmayer, G.; Blugel, S.; Rader, O. |
| Title |
Anomalous behavior of the electronic structure of (Bi1-xInx)2Se3across the quantum phase transition from topological to trivial insulator |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
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| Volume |
98 |
Issue |
23 |
Pages |
235110 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Using spin- and angle-resolved photoemission spectroscopy and relativistic many-body calculations, we investigate the evolution of the electronic structure of (Bi1-xInx)(2)Se-3)(2)Se-3 bulk single crystals around the critical point of the trivial to topological insulator quantum-phase transition. By increasing x, we observe how a surface gap opens at the Dirac point of the initially gapless topological surface state of Bi2Se3, leading to the existence of massive fermions. The surface gap monotonically increases for a wide range of x values across the topological and trivial sides of the quantum-phase transition. By means of photon-energy-dependent measurements, we demonstrate that the gapped surface state survives the inversion of the bulk bands which occurs at a critical point near x = 0.055. The surface state exhibits a nonzero in-plane spin polarization which decays exponentially with increasing x, and which persists in both the topological and trivial insulator phases. Our calculations reveal qualitative agreement with the experimental results all across the quantum-phase transition upon the systematic variation of the spin-orbit coupling strength. A non-time-reversal symmetry-breaking mechanism of bulk-mediated scattering processes that increase with decreasing spin-orbit coupling strength is proposed as explanation. |
| Address |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000452322800003 |
Publication Date |
2018-12-05 |
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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 |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
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:156240 |
Serial |
7462 |
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| Author |
da Costa, L.F.; de Barros, A.G.; de Figueiredo Lopes Lucena, L.C.; de Figueiredo Lopes Lucena, A.E. |
| Title |
Asphalt mixture reinforced with banana fibres |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Road Materials And Pavement Design |
Abbreviated Journal |
Road Mater Pavement |
| Volume |
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Issue |
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Pages |
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| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Energy and Materials in Infrastructure and Buildings (EMIB) |
| Abstract |
Stone Matrix Asphalt (SMA) is a gap-graded mixture which requires high contents of asphalt binder. To prevent draindown, natural or synthetic fibres and polymer-modified asphalt binders are conventionally used in SMA. Banana agribusiness is one of the major sources of post-harvest residue in Brazil. Amongst those residues, fibres extracted from the pseudostem of the banana plant are resistant and used in diverse purposes. The present study assesses the incorporation of fibres from the pseudostem of the banana plant in an SMA mixture. The fibre contents and lengths capable to prevent binder draindown were evaluated from draindown tests. Mechanical properties of an SMA mixture stabilised with different banana fibre lengths were analysed through the tests of Marshall stability, modified Lottman, Indirect Tensile Strength and Cantabro. The results indicated that the fibres studied are a viable alternative for SMA, stabilising draindown and improving its mechanical performance, especially at the length of 20 mm. |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000508499900001 |
Publication Date |
2020-01-22 |
| 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 |
1468-0629; 2164-7402 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.7 |
Times cited |
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Open Access |
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| Notes |
|
Approved |
Most recent IF: 3.7; 2020 IF: 1.401 |
| Call Number |
UA @ admin @ c:irua:178727 |
Serial |
7495 |
| Permanent link to this record |
