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Records |
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Author |
de Jong van Coevorden, C.M.; Gielis, J.; Caratelli, D. |
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Title |
Application of Gielis transformation to the design of metamaterial structures |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
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| |
Volume  |
963 |
Issue |
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Pages |
Unsp 012008 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this communication, the use of Gielis transformation to design more compact metamaterial unit cells is explored. For this purpose, transformed complementary split ring resonators and spiral resonators are coupled to micro-strip lines and theirbehaviour is investigated. The obtained results confirm that the useof the considered class of supershaped geometries enables the synthesis of very compact scalable microwave components. |
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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 |
000435022800008 |
Publication Date |
2018-02-20 |
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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 |
1742-6588; 1742-6596 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:150947 |
Serial |
7475 |
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| Permanent link to this record |
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Author |
Weng, Y.; Jia, Z.; Ding, L.; Muraishi, S.; Wu, X.; Liu, Q. |
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Title |
The multiple orientation relationships and morphology of beta phase in Al-Mg-Si-Cu alloy |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of alloys and compounds |
Abbreviated Journal |
J Alloy Compd |
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| |
Volume |
767 |
Issue |
767 |
Pages |
81-89 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The orientation relationships (ORs), segregation behavior and morphologies of beta precipitate in an over aged Al-Mg-Si-Cu alloy are systematically characterized by atomic resolution high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM). Six different ORs and two morphologies, i.e. rod-and lath-like are revealed for beta precipitates, and Cu segregation at the (beta/alpha-Al interface is observed in all these precipitates. The rod-like beta precipitate has multiple beta-angles ranging from 6.1 to 14.1 degrees and non-uniform Cu segregation at the (beta/alpha-Al interface, while the lath-like beta precipitate has a constant beta-angle of 0 degrees and a periodic Cu segregation. These different ORs are explained to be attributable to the rotation of QP lattice, a near-hexagonal network of Si columns formed within beta precipitates, which causes different lattice matching of beta with alpha-Al lattice. These findings provide new insights in controlling the precipitation hardening and mechanical properties of this type of alloys. (C) 2018 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000446316500011 |
Publication Date |
2018-07-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0925-8388 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.133 |
Times cited |
4 |
Open Access |
OpenAccess |
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Notes |
; This work was supported by the Fundamental Research Funds for the Central Universities of China (Grant No. 2018CDJDCL001910611 and No. 2017CDJQJ308822), the Foundation for Innovative Research Groups of the National Natural Science Foundation of China (Grant No. 51421001) and the program of China Sponsorship Council (No. 201706050125). ; |
Approved |
Most recent IF: 3.133 |
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Call Number |
UA @ lucian @ c:irua:154720 |
Serial |
5131 |
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| Permanent link to this record |
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Author |
Weng, Y.; Jia, Z.; Ding, L.; Muraishi, S.; Liu, Q. |
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Title |
Clustering behavior during natural aging and artificial aging in Al-Mg-Si alloys with different Ag and Cu addition |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Microstructure And Processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
732 |
Issue |
732 |
Pages |
273-283 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The effect of Ag and Cu addition on clustering behavior of Al-Mg-Si alloys during natural aging (NA) and artificial aging (AA) was investigated by hardness measurement, tensile test and atom probe tomography analysis. The results show that both Ag and Cu atoms could enter clusters and GP-zones, change the Mg/Si ratio and increase their volume fractions. Compared with the Al base alloy, the clusters in the Ag/Cu-added alloys more easily transform to beta" phases for size and compositional similarity, and the strengthening ability of these particles is enhanced by the increased volume fraction and shear modulus. In NA condition, Cu is greater in improving the volume fraction of clusters than Ag and thus produces higher T4 temper hardness. In AA condition, in contrary, Ag is more effective in facilitating the formation and growth of particles than Cu due to the stronger Ag-Mg interaction and the high diffusivity of Ag atoms in Al matrix, leading to highest hardening response. Compared to the Cu-added alloy, the Ag-added alloy shows higher precipitation kinetics during AA treatment and maintains a lower T4 temper hardness. |
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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 |
Lausanne |
Editor |
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Language |
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Wos |
000441486100032 |
Publication Date |
2018-07-07 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0921-5093 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
11 |
Open Access |
OpenAccess |
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Notes |
; This work was supported by the Special major R & D Projects for Key Technology Innovation of Key Industries in Chongqing (Grant no. cstc2017zdcy-zdzxX0006), the Fundamental Research Funds for the Central Universities of China (Grant no. 106112016CDJXZ338825 and 106112017CDJQJ308822) and the program of China Scholarships Council (No. 201706050125). ; |
Approved |
Most recent IF: 3.094 |
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Call Number |
UA @ lucian @ c:irua:153107 |
Serial |
5083 |
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| Permanent link to this record |
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Author |
Nematollahi, P.; Esrafili, M.D.; Neyts, E.C. |
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Title |
The role of healed N-vacancy defective BC2N sheet and nanotube by NO molecule in oxidation of NO and CO gas molecules |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces |
Abbreviated Journal |
Surf Sci |
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| |
Volume |
672-673 |
Issue |
672-673 |
Pages |
39-46 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this study, the healing of N-vacancy boron carbonitride nanosheet (NV-BC2NNS) and nanotube (NV-BC2NNT) by NO molecule is studied by means of density functional theory calculations. Two different N-vacancies are considered in each of these structures in which the vacancy site is surrounded by either three B-atoms (NB) or by two B- and one C-atom (NBC). By means of the healed BC2NNS and BC2NNT as a support, the removal of two toxic gas molecules (NO and CO) are applicable. It should be noted that the obtained energy barriers of both healing and oxidizing processes are significantly lower than those of graphene, carbon nanotubes or boron nitride nanostructures. Also, at the end of the oxidation process, the pure BC2NNS or BC2NNT is obtained without any additional defects. Therefore, by using this method, we can considerably purify the defective BC2NNS/BC2NNT. Moreover, according to the thermochemistry calculations we can further confirm that the healing process of the NV-BC2NNS and NV-BC2NNT by NO are feasible at room temperature. So, we can claim that this study could be very helpful in both purifying the defective BC2NNS/BC2NNT while in the same effort removing toxic NO and CO gases. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000432614700007 |
Publication Date |
2018-03-08 |
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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 |
0039-6028 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.062 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.062 |
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Call Number |
UA @ lucian @ c:irua:151478 |
Serial |
5044 |
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| Permanent link to this record |
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Author |
Chelan, M.M.; Alijanpour, A.; Barani, H.; Motamedi, J.; Azadi, H.; Van Passel, S. |
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Title |
Economic sustainability assessment in semi-steppe rangelands |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Science Of The Total Environment |
Abbreviated Journal |
Sci Total Environ |
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Volume |
637-638 |
Issue |
637-638 |
Pages |
112-119 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
This study was conducted to determine indices and components of economic sustainability assessment in the pastoral units of Sahand summer rangelands. The method was based on descriptive-analytical survey (experts and researchers) with questionnaires. Analysis of variance showed that the mean values of economic components are significantly different from each other and the efficiency component has the highest mean value (0.57). The analysis of rangeland pastoral unitswith the technique for order-preference by similarity to ideal solution (TOPSIS) indicated that from an economic sustainability standpoint, Garehgol (Ci = 0.519) and Badir Khan (Ci = 0.129), pastoral units ranked first and last, respectively. This study provides a clear understanding of existing resources and opportunities for policy makers that is crucial to approach economic sustainable development. Accordingly, this study can help better define sustainable development goals and monitor the progress of achieving them. (C) 2018 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000436605400012 |
Publication Date |
2018-05-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0048-9697 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
4.9 |
Times cited |
7 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 4.9 |
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Call Number |
UA @ admin @ c:irua:153617 |
Serial |
6190 |
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| Permanent link to this record |
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Author |
van der Graaf, W.N.P.; Tempelman, C.H.L.; Hendriks, F.C.; Ruiz-Martinez, J.; Bals, S.; Weckhuysen, B.M.; Pidko, E.A.; Hensen, E.J.M. |
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Title |
Deactivation of Sn-Beta during carbohydrate conversion |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
Appl Catal A-Gen |
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Volume |
564 |
Issue |
564 |
Pages |
113-122 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The deactivation of Sn-Beta zeolite catalyst during retro-aldolization and isomerization of glucose is investigated. Confocal fluorescence microscopy reveals that retro-aldolization of glucose in CH3OH at 160 degrees C is accompanied with the build-up of insoluble oligomeric deposits in the micropores, resulting in a rapid catalyst deactivation. These deposits accumulate predominantly in the outer regions of the zeolite crystals, which points to mass transport limitations. Glucose isomerization in water is not only accompanied by the formation of insoluble deposits in the micropores, but also by the structural degradation of the zeolite due to desilication and destannation. Enhanced and sustained catalytic performance can be achieved by using ethanol/water mixtures as the reaction solvent instead of water. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000443669800012 |
Publication Date |
2018-07-21 |
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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 |
0926-860x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.339 |
Times cited |
25 |
Open Access |
OpenAccess |
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Notes |
; This work was performed in the framework of the CatchBio programme and the Joint Scientific Thematic Research Programme funded by the The Netherlands Organization for Scientific Research (NWO) and the Chinese Ministry of Science and Technology. J.R.M. acknowledges the Dutch Science Foundation (NWO) for his personal VENI grant. ; |
Approved |
Most recent IF: 4.339 |
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Call Number |
UA @ lucian @ c:irua:153715UA @ admin @ c:irua:153715 |
Serial |
5088 |
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Author |
Van Goethem, C.; Verbeke, R.; Pfanmoeller, M.; Koschine, T.; Dickmann, M.; Timpel-Lindner, T.; Egger, W.; Bals, S.; Vankelecom, I.F.J. |
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Title |
The role of MOFs in Thin-Film Nanocomposite (TFN) membranes |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of membrane science |
Abbreviated Journal |
J Membrane Sci |
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Volume |
563 |
Issue |
563 |
Pages |
938-948 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Incorporation of MOFs in interfacially polymerized Thin-Film Nanocomposite (TFN) membranes has widely been shown to result in increased membrane performance. However, the exact functioning of these membranes is poorly understood as large variability in permeance increase, filler incorporation and rejection changes can be observed in literature. The synthesis and functioning of TFN membranes (herein exemplified by ZIF-8 filled polyamide (PA) membranes prepared via the EFP method) was investigated via targeted membrane synthesis and thorough characterization via STEM-EDX, XRD and PALS. It is hypothesized that the acid generated during the interfacial polymerization (IP) at least partially degrades the crystalline, acid-sensitive ZIF-8 and that this influences the membrane formation (through so-called secondary effects, i.e. not strictly linked to the pore morphology of the MOF). Nanoscale HAADF-STEM imaging and STEM-EDX Zn-mapping revealed no ZIF-8 particles but rather the presence of randomly shaped regions with elevated Zn-content. Also XRD failed to show the presence of crystalline areas in the composite PA films. As the addition of the acid-quenching TEA led to an increase in the diffraction signal observed in XRD, the role of the acid was confirmed. The separate addition of dissolved Zn2+ to the synthesis of regular TFC membranes showed an increase in permeance while losing some salt retention, similar to observations regularly made for TFN membranes. While the addition of a porous material to a TFC membrane is a straightforward concept, all obtained results indicate that the synthesis and performance of such composite membranes is often more complex than commonly accepted. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000441897200099 |
Publication Date |
2018-06-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0376-7388 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.035 |
Times cited |
84 |
Open Access |
OpenAccess |
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Notes |
; C.V.G. and R.V. kindly acknowledge respectively the Flemish Agency for Innovation through Science and Technology (IWT) (IWT, 141697) and the Flemish Fund for Scientific Research (FWO, 1500917N) for a PhD scholarship. The authors kindly acknowledge funding from KU Leuven through C16/17/005 and from the Belgian Federal Government through IAP 6/27 Functional Supramolecular systems. S.B. and M.P. acknowledge financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOM). M.P. acknowledges funding from the European Union (ESTEEM2, No. 312483) and the HEiKA centre FunTECH-3D (Ministry of Science, Research and Art Baden-Wurttemberg, AZ: 33-753-30-20/3/3). The MLZ-Garching is kindly acknowledged for providing access to the NEPOMUC facilities (project no 11541). ; ecas_sara |
Approved |
Most recent IF: 6.035 |
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Call Number |
UA @ lucian @ c:irua:153618UA @ admin @ c:irua:153618 |
Serial |
5132 |
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| Permanent link to this record |
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Author |
Zhou, K.-G.; Vasu, K.S.; Cherian, C.T.; Neek-Amal, M.; Zhang, J.C.; Ghorbanfekr-Kalashami, H.; Huang, K.; Marshall, O.P.; Kravets, V.G.; Abraham, J.; Su, Y.; Grigorenko, A.N.; Pratt, A.; Geim, A.K.; Peeters, F.M.; Novoselov, K.S.; Nair, R.R. |
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Title |
Electrically controlled water permeation through graphene oxide membranes |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Nature |
Abbreviated Journal |
Nature |
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| |
Volume |
559 |
Issue |
7713 |
Pages |
236-+ |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Controlled transport of water molecules through membranes and capillaries is important in areas as diverse as water purification and healthcare technologies(1-7). Previous attempts to control water permeation through membranes (mainly polymeric ones) have concentrated on modulating the structure of the membrane and the physicochemical properties of its surface by varying the pH, temperature or ionic strength(3,8). Electrical control over water transport is an attractive alternative; however, theory and simulations(9-14) have often yielded conflicting results, from freezing of water molecules to melting of ice(14-16) under an applied electric field. Here we report electrically controlled water permeation through micrometre-thick graphene oxide membranes(17-21). Such membranes have previously been shown to exhibit ultrafast permeation of water(17,22) and molecular sieving properties(18,21), with the potential for industrial-scale production. To achieve electrical control over water permeation, we create conductive filaments in the graphene oxide membranes via controllable electrical breakdown. The electric field that concentrates around these current-carrying filaments ionizes water molecules inside graphene capillaries within the graphene oxide membranes, which impedes water transport. We thus demonstrate precise control of water permeation, from ultrafast permeation to complete blocking. Our work opens up an avenue for developing smart membrane technologies for artificial biological systems, tissue engineering and filtration. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000438240900052 |
Publication Date |
2018-07-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0028-0836 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
40.137 |
Times cited |
216 |
Open Access |
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Notes |
; This work was supported by the Royal Society, Engineering and Physical Sciences Research Council, UK (EP/K016946/1, EP/N013670/1 and EP/P00119X/1), British Council (award reference number 279336045), European Research Council (contract 679689) and Lloyd's Register Foundation. We thank J. Waters for assisting with X-ray measurements and G. Yu for electrical measurements. ; |
Approved |
Most recent IF: 40.137 |
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Call Number |
UA @ lucian @ c:irua:152420UA @ admin @ c:irua:152420 |
Serial |
5096 |
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| Permanent link to this record |
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Author |
Vodolazov, D.Y.; Berdiyorov, G.; Peeters, F.M. |
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Title |
Negative magnetoresistance in thin superconducting films with parallel orientation of current and magnetic field |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
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Volume |
552 |
Issue |
552 |
Pages |
64-66 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Thin superconducting films can exhibit negative magnetoresistance when an in-plane external magnetic field is aligned parallel with the transport current. We explain this effect as due to appearance of parallel vortices in the plain of the film at the first critical magnetic field H-c1 which leads to an enhancement of the superconducting properties and impedes the motion of the current induced perpendicular vortices. Our theoretical results are based on a numerical solution of the time-dependent and stationary 3D Ginzburg-Landau equations. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000440786600012 |
Publication Date |
2018-07-20 |
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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 |
0921-4534 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.404 |
Times cited |
6 |
Open Access |
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Notes |
; The work is supported by the Russian Science Foundation Project No. 17-72-30036 and the Malthusian programme of the Flemish government. ; |
Approved |
Most recent IF: 1.404 |
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| |
Call Number |
UA @ lucian @ c:irua:153067UA @ admin @ c:irua:153067 |
Serial |
5117 |
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| Permanent link to this record |
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Author |
Cautaerts, N.; Delville, R.; Stergar, E.; Schryvers, D.; Verwerft, M. |
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Title |
Tailoring the Ti-C nanoprecipitate population and microstructure of titanium stabilized austenitic steels |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of nuclear materials |
Abbreviated Journal |
J Nucl Mater |
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| |
Volume |
507 |
Issue |
507 |
Pages |
177-187 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The present work reports on the microstructural evolution of a new heat of 24% cold worked austenitic DIN 1.4970 (15-15Ti) nuclear cladding steel subjected to ageing heat treatments of varying duration between 500 and 800 degrees C (by steps of 100 degrees C). The primary aim was studying the finely dispersed Ti-C nanoprecipitate population, which are thought to be beneficial for creep and swelling resistance during service. Their size distribution and number density were estimated through dark field imaging and bright field Moire imaging techniques in the transmission electron microscope. Nanoprecipitates formed at and above 600 degrees C, which is a lower temperature than previously reported. The observed nucleation, growth and coarsening behavior of the nanoprecipitates were consistent with simple diffusion arguments. The formation of nanoprecipitates coincided with significant dissociation of dislocations as evidenced by weak beam dark field imaging. Possible mechanisms, including Silcock's stacking fault growth model and Suzuki segregation, are discussed. Recrystallization observed after extended ageing at 800 degrees C caused the redissolution of nanoprecipitates. Large primary Ti(C,N) and (Ti,Mo)C precipitates that occur in the as-received material, and M23C6 precipitates that nucleate on grain boundaries at low temperatures were also characterized by a selective dissolution procedure involving filtration, X-ray diffraction and quantitative Rietveld refinement. The partitioning of key elements between the different phases was derived by combining these findings and was consistent with thermodynamic considerations and the processing history of the steel. (C) 2018 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000438019800021 |
Publication Date |
2018-04-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0022-3115 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.048 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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| |
Notes |
; We would like to acknowledge ENGIE, SCK.CEN, the SCK.CEN academy and the MYRRHA project for the financial support of this work. Special thanks to T. Wangle and P. Dries for their help with filtration and gravimetry. Also thanks to Dr. G. Leinders for the discussions on XRD and Rietveld refinement. Thanks to E. Charalampopoulou and A. Youssef for assisting with the dissolution experiments. ; |
Approved |
Most recent IF: 2.048 |
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| |
Call Number |
UA @ lucian @ c:irua:152382 |
Serial |
5043 |
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| Permanent link to this record |
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Author |
Pereira, J.R.V.; Tunes, T.M.; De Arruda, A.S.; Godoy, M. |
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Title |
Thermal properties of the mixed spin-1 and spin-3/2 Ising ferrimagnetic system with two different random single-ion anisotropies |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
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| |
Volume |
500 |
Issue |
500 |
Pages |
265-272 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this work, we have performed Monte Carlo simulations to study a mixed spin-1 and spin-3/2 Ising ferrimagnetic system on a square lattice with two different random single-ion anisotropies. This lattice is divided in two interpenetrating sublattices with spins S-A = 1 in the sublattice A and S-B = 3/2 in the sublattice B. The exchange interaction between the spins on the sublattices is antiferromagnetic (J < 0). We used two random single-ion anisotropies, D-i(A) and D-j(B), on the sublattices A and B, respectively. We have determined the phase diagram of the model in the critical temperature T-c versus strength of the random single-ion anisotropy D plane and we shown that it exhibits only second-order phase transition lines. We also shown that this system displays compensation temperatures for some cases of the random single-ion distribution. (C) 2018 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000430027400025 |
Publication Date |
2018-02-21 |
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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 |
0378-4371 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.243 |
Times cited |
3 |
Open Access |
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| |
Notes |
; The authors acknowledge financial support by the Brazilian agencies CNPq, Brazil, CAPES, Brazil (Grant No. 88881.120851/2016-01) and FAPEMAT, Brazil. ; |
Approved |
Most recent IF: 2.243 |
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| |
Call Number |
UA @ lucian @ c:irua:150706UA @ admin @ c:irua:150706 |
Serial |
4985 |
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| Permanent link to this record |
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Author |
Siriwardane, E.M.D.; Karki, P.; Sevik, C.; Cakir, D. |
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| |
Title |
Electronic and mechanical properties of stiff rhenium carbide monolayers: A first-principles investigation |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Applied surface science |
Abbreviated Journal |
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|
| |
Volume |
458 |
Issue |
|
Pages |
762-768 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this study, we predicted two new stable metallic Re-C based monolayer structures with a rectangular (r-ReC2) and a hexagonal (h-Re2C) crystal symmetry using first-principle calculations based on density functional theory. Our results obtained from mechanical and phonon calculations and high-temperature molecular dynamic simulations clearly proved the stability of these two-dimensional (2D) crystals. Interestingly, Re-C monolayers in common transition metal carbide structures (i.e. MXenes) were found to be unstable, contrary to expectations. We found that the stable structures, i.e. r-ReC2 and h-Re2C, display superior mechanical properties over the well-known 2D materials. The Young's modulus for r-ReC2 and h-Re2C are extremely high and were calculated as 351 (1310) and 617 (804) N/m (GPa), respectively. Both materials have larger Young's modulus values than the most of the well-known 2D materials. We showed that the combination of the short strong directional p-d bonds, the high coordination number of atoms in the unit-cell and high valence electron density result in strong mechanical properties. Due to its crystal structure, the r-ReC2 monolayer has anisotropic mechanical properties and the crystallographic direction parallel to the C-2 dimers is stiffer compared to perpendicular direction due to strong covalent bonding within C-2 dimers. h-Re2C was derived from the corresponding bulk structure for which we determined the critical thickness for the dynamically stable bulk-derived monolayer structures. In addition, we also investigated the electronic of these two stable structures. Both exhibit metallic behavior and Re-5d orbitals dominate the states around the Fermi level. Due to their ultra high mechanical stability and stiffness, these novel Re-C monolayers can be exploited in various engineering applications. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000441400000088 |
Publication Date |
2018-07-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:193776 |
Serial |
7875 |
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| Permanent link to this record |
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Author |
Sathiyamoorthy, S.; Girijakumari, G.; Kannan, P.; Venugopal, K.; Thiruvottriyur Shanmugam, S.; Veluswamy, P.; De Wael, K.; Ikeda, H. |
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Title |
Tailoring the functional properties of polyurethane foam with dispersions of carbon nanofiber for power generator applications |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
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| |
Volume |
449 |
Issue |
449 |
Pages |
507-513 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
To produce effective thermoelectric nanocomposites, carbon nanofibers (CNF) incorporated polyurethane (PU) foams with nanocomposites are prepared via in-situ polymerization method to create a synergy that would produce a high thermopower. The formation mechanism of foams, the reaction kinetics, and the physical properties such as density and water absorption studied before and after CNF incorporation. The microscopy images showed a uniform dispersion of CNF in the PU matrix of the prepared foams. Spectroscopic studies such as X-ray photoelectron and laser Raman spectroscopy suggested the existence of a tight intermolecular binding interaction between the carbon nanofibers and the PU matrix in the prepared composite foams. It found that the thermopower is directly dependent on the concentration of carbon nanofiber since, with rising concentration of 1%3%, the coefficient values increased from 1.2 μV/K to 11.9 μV/K respectively, a value higher than that of earlier report. This unique nanocomposite offers a new opportunity to recycle waste heat in portable/wearable electronics and other applications, which will broaden the development of low weight and mechanical flexibility. |
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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 |
000438025400064 |
Publication Date |
2018-02-06 |
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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 |
0169-4332 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.387 |
Times cited |
4 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.387 |
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Call Number |
UA @ admin @ c:irua:151287 |
Serial |
5868 |
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| Permanent link to this record |
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Author |
Nematollahi, P.; Neyts, E.C. |
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Title |
A comparative DFT study on CO oxidation reaction over Si-doped BC2N nanosheet and nanotube |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
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| |
Volume |
439 |
Issue |
439 |
Pages |
934-945 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this study, we performed density functional theory (DFT) calculations to investigate different reaction mechanisms of CO oxidation catalyzed by the Si atom embedded defective BC2N nanostructures as well as the analysis of the structural and electronic properties. The structures of all the complexes are optimized and characterized by frequency calculations at the M062X/6-31G* computational level. Also, The electronic structures and thermodynamic parameters of adsorbed CO and O-2 molecules over Si-doped BC2N nanostructures are examined in detail. Moreover, to investigate the curvature effect on the CO oxidation reaction, all the adsorption and CO oxidation reactions on a finite-sized armchair (6,6) Si-BC2NNT are also studied. Our results indicate that there can be two possible pathways for the CO oxidation with O-2 molecule: O-2(g) + CO(g) -> O-2(ads) + CO(ads) -> CO2(g) + O-(ads) and O-(ads) + CO(g) -> CO2(g). The first reaction proceeds via the Langmuir-Hinshelwood (LH) mechanism while the second goes through the Eley-Rideal (ER) mechanism. On the other hand, by increasing the tube diameter, the energy barrier increases due to the strong adsorption energy of the O-2 molecule which is related to its dissociation over the tube surface. Our calculations indicate that the two step energy barrier of the oxidation reaction over Si-BC2NNS is less than that over the Si-BC2NNT. Hence, Si-BC2NNS may serve as an efficient and highly activated substrate to CO oxidation rather than (4,4) Si-BC2NNT. (C) 2018 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000427457100112 |
Publication Date |
2018-01-08 |
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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 |
0169-4332 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.387 |
Times cited |
8 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.387 |
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Call Number |
UA @ lucian @ c:irua:150745 |
Serial |
4960 |
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Author |
Aydin, H.; Bacaksiz, C.; Yagmurcukardes, N.; Karakaya, C.; Mermer, O.; Can, M.; Senger, R.T.; Sahin, H.; Selamet, Y. |
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Title |
Experimental and computational investigation of graphene/SAMs/n-Si Schottky diodes |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
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Volume |
428 |
Issue |
428 |
Pages |
1010-1017 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We have investigated the effect of two different self-assembled monolayers (SAMs) on electrical characteristics of bilayer graphene (BLG)/n-Si Schottky diodes. Novel 4“bis(diphenylamino)-1, 1':3”-terpheny1-5' carboxylic acids (TPA) and 4,4-di-9H-carbazol-9-y1-1,1':3'1'-terpheny1-5' carboxylic acid (CAR) aromatic SAMs have been used to modify n-Si surfaces. Cyclic voltammetry (CV) and Kelvin probe force microscopy (KPFM) results have been evaluated to verify the modification of n-Si surface. The current-voltage (I-V) characteristics of bare and SAMs modified devices show rectification behaviour verifying a Schottky junction at the interface. The ideality factors (n) from ln(I)-V dependences were determined as 2.13,1.96 and 2.07 for BLG/n-Si, BLG/TPA/n-Si and BLG/CAR/n-Si Schottky diodes, respectively. In addition, Schottky barrier height (SBH) and series resistance (Rs) of SAMs modified diodes were decreased compared to bare diode due to the formation of a compatible interface between graphene and Si as well as n-n interaction between aromatic SAMs and graphene. The CAR-based device exhibits better diode characteristic compared to the TPA-based device. Computational simulations show that the BLG/CAR system exhibits smaller energy-level-differences than the BLG/TPA, which supports the experimental findings of a lower Schottky barrier and series resistance in BLG/CAR diode. (C) 2017 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000415227000128 |
Publication Date |
2017-09-29 |
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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 |
0169-4332 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.387 |
Times cited |
2 |
Open Access |
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Notes |
; This work was supported by TUBITAK (The Scientific and Technical Research Council of Turkey) with project number 112T946. We also thank AQuReC (Applied Quantum Research Center) for Raman measurements. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges support from Bilim Akademisi The Science Academy, Turkey under the BAGEP program. ; |
Approved |
Most recent IF: 3.387 |
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Call Number |
UA @ lucian @ c:irua:154608UA @ admin @ c:irua:154608 |
Serial |
5101 |
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Author |
Schalm, O.; Anaf, W.; Callier, J.; Leyva Pernia, D. |
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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 |
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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) |
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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 |
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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 |
1757-8981; 1757-899x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:151825 |
Serial |
8298 |
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Author |
Vanraes, P.; Wardenier, N.; Surmont, P.; Lynen, F.; Nikiforov, A.; Van Hulle, S.W.H.; Leys, C.; Bogaerts, A. |
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Title |
Removal of alachlor, diuron and isoproturon in water in a falling film dielectric barrier discharge (DBD) reactor combined with adsorption on activated carbon textile: Reaction mechanisms and oxidation by-products |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
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Volume |
354 |
Issue |
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Pages |
180-190 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A falling film dielectric barrier discharge (DBD) plasma reactor combined with adsorption on activated carbon textile material was optimized to minimize the formation of hazardous oxidation by-products from the treatment of persistent pesticides (alachlor, diuron and isoproturon) in water. The formation of by-products and the reaction mechanism was investigated by HPLC-TOF-MS. The maximum concentration of each by-product was at least two orders of magnitude below the initial pesticide concentration, during the first 10 min of treatment. After 30 min of treatment, the individual by-product concentrations had decreased to values of at least three orders of magnitude below the initial pesticide concentration. The proposed oxidation pathways revealed five main oxidation steps: dechlorination, dealkylation, hydroxylation, addition of a double-bonded oxygen and nitrification. The latter is one of the main oxidation mechanisms of diuron and isoproturon for air plasma treatment. To our knowledge, this is the first time that the formation of nitrificated intermediates is reported for the plasma treatment of non-phenolic compounds. |
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Place of Publication |
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Language |
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Wos |
000437814600021 |
Publication Date |
2018-05-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3894 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.065 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 04.05.2020
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Notes |
This research did not receive any specific grant from funding agencies in the public, commercial, or not-for-profit sectors. The authors would like to thank Carbon Cloth Division for Zorflex® samples and personally thank Jack Taylor for fruitful discussion of active carbon water treatment processes |
Approved |
Most recent IF: 6.065 |
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Call Number |
PLASMANT @ plasmant @c:irua:152179 |
Serial |
4989 |
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Author |
van Walsem, J.; Roegiers, J.; Modde, B.; Lenaerts, S.; Denys, S. |
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Title |
Determination of intrinsic kinetic parameters in photocatalytic multi-tube reactors by combining the NTUm-method with radiation field modelling |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
354 |
Issue |
354 |
Pages |
1042-1049 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this work, we propose an adapted Number of Transfer Units (NTUm)-method as an effective tool to determine the Langmuir-Hinshelwood kinetic parameters for a photocatalytic multi-tube reactor. The Langmuir-Hinshelwood rate constant kLH and the Langmuir adsorption constant KL were determined from several experiments under different UV-irradiance conditions, resulting in irradiance depending values for kLH. In order to determine a unique, intrinsic empirical constant k0, valid for all irradiation conditions, we coupled the adapted NTUm-method with a radiation field model to predict UV-irradiance distribution inside the reactor. The final set of kinetic parameters were derived using a Generalized Reduced Gradient (GRG) nonlinear solving method in Matlab which minimizes the differences between model and experimental reactor outlet concentrations of acetaldehyde for various photocatalytic experiments under varying operating conditions, including inlet concentration, flow rate and UV-irradiance. An excellent agreement of the intrinsic empirical constant k0, derived from the coupled NTUm-radiation field model and an earlier published CFD approach was found, emphasizing its validity and reliability. |
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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 |
000445413900099 |
Publication Date |
2018-08-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
2 |
Open Access |
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Notes |
; J.V.W. acknowledges the Agentschap Innoveren & Ondernemen for a PhD fellowship. ; |
Approved |
Most recent IF: 6.216 |
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Call Number |
UA @ admin @ c:irua:154845 |
Serial |
5940 |
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| Permanent link to this record |
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Author |
Leus, K.; Folens, K.; Nicomel, N.R.; Perez, J.P.H.; Filippousi, M.; Meledina, M.; Dirtu, M.M.; Turner, S.; Van Tendeloo, G.; Garcia, Y.; Du Laing, G.; Van Der Voort, P. |
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Title |
Removal of arsenic and mercury species from water by covalent triazine framework encapsulated \gamma-Fe2O3 nanoparticles |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
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Volume |
353 |
Issue |
353 |
Pages |
312-319 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The covalent triazine framework, CTF-1, served as host material for the in situ synthesis of Fe2O3 nanoparticles. The composite material consisted of 20 +/- 2 m% iron, mainly in gamma-Fe2O3 phase. The resulting gamma-Fe2O3@CTF-1 was examined for the adsorption of As-III, As-V and H-II from synthetic solutions and real surface-, ground- and wastewater. The material shows excellent removal efficiencies, independent from the presence of Ca2+, Mg2+ or natural organic matter and only limited dependency on the presence of phosphate ions. Its adsorption capacity towards arsenite (198.0 mg g(-1)), arsenate (102.3 mg g(-1)) and divalent mercury (165.8 mg g(-1)) belongs amongst the best-known adsorbents, including many other iron-based materials. Regeneration of the adsorbent can be achieved for use over multiple cycles without a decrease in performance by elution at 70 degrees C with 0.1 M NaOH, followed by a stirring step in a 5 m% H2O2 solution for As or 0.1 M thiourea and 0.001 M HCl for Hg. In highly contaminated water (100 mu gL(-1)), the adsorbent polishes the water quality to well below the current WHO limits. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000438002800035 |
Publication Date |
2018-04-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0304-3894 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.065 |
Times cited |
22 |
Open Access |
OpenAccess |
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| |
Notes |
; Karen Leus acknowledges financial support from Ghent University. Nina Ricci Nicomel and Jeffrey Paulo H. Perez thank the funding of the VLIR-UOS. Marinela M. Dirtu acknowledges F.R.S.-FNRS for a Charge de recherches position. Stuart Turner gratefully acknowledges the FWO Vlaanderen for a post-doctoral scholarship. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. ; |
Approved |
Most recent IF: 6.065 |
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| |
Call Number |
UA @ lucian @ c:irua:152430 |
Serial |
5124 |
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| Permanent link to this record |
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Author |
Li, K.; Liu, J.-L.; Li, X.-S.; Lian, H.-Y.; Zhu, X.; Bogaerts, A.; Zhu, A.-M. |
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| |
Title |
Novel power-to-syngas concept for plasma catalytic reforming coupled with water electrolysis |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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| |
Volume |
353 |
Issue |
|
Pages |
297-304 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We propose a novel Power to Synthesis Gas (P2SG) approach, composed of two high-efficiency and renewable electricity-driven units, i.e., plasma catalytic reforming (PCR) and water electrolysis (WE), to produce high quality syngas from CH4, CO2 and H2O. As WE technology is already commercial, we mainly focus on the PCR unit, consisting of gliding arc plasma and Ni-based catalyst, for oxidative dry reforming of methane. An energy efficiency of 78.9% and energy cost of 1.0 kWh/Nm3 at a CH4 conversion of 99% and a CO2 conversion of 79% are obtained. Considering an energy efficiency of 80% for WE, the P2SG system yields an overall energy efficiency of 79.3% and energy cost of 1.8 kWh/Nm3. High-quality syngas is produced without the need for posttreatment units, featuring the ideal stoichiometric number of 2, with concentration of 94.6 vol%, and a desired CO2 fraction of 1.9 vol% for methanol synthesis. The PCR unit has the advantage of fast response to adapting to fluctuation of renewable electricity, avoiding local hot spots in the catalyst bed and coking, in contrast to conventional catalytic processes. Moreover, pure O2 from the WE unit is directly utilized by the PCR unit for oxidative dry reforming of methane, and thus, no air separation unit, like in conventional processes, is required. This work demonstrates the viability of the P2SG approach for large-scale energy storage of renewable electricity via electricity-to-fuel conversion. |
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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 |
000441527900029 |
Publication Date |
2018-07-20 |
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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 |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
This project is supported by the National Natural Science Foundation of China (11705019, 11475041), the Fundamental Research Funds for the Central Universities (DUT16QY49, DUT16LK16) and the Fund for Scientific Research Flanders (FWO; grant G.0383.16N). |
Approved |
Most recent IF: 6.216 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:153059 |
Serial |
5049 |
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| Permanent link to this record |
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Author |
Cremers, V.; Rampelberg, G.; Barhoum, A.; Walters, P.; Claes, N.; Oliveira, T.M. de; Assche, G.V.; Bals, S.; Dendooven, J.; Detavernier, C. |
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Title |
Oxidation barrier of Cu and Fe powder by Atomic Layer Deposition |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Surface and coatings technology |
Abbreviated Journal |
Surf Coat Tech |
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| |
Volume |
349 |
Issue |
349 |
Pages |
1032-1041 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Atomic layer deposition (ALD) is a vapor based technique which allows to deposit uniform, conformal films with a thickness control at the atomic scale. In this research, Al 2 O 3 coatings were deposited on micrometer-sized Fe and Cu powder (particles) using the thermal trimethylaluminum (TMA)/ water (H 2 O) process in a rotary pump-type ALD reactor. Rotation of the powder during deposition was required to obtain a pinhole-free ALD coating. The protective nature of the coating was evaluated by quantifying its effectiveness in protecting the metal particles during oxidative annealing treatments. The Al 2 O 3 coated powders were annealed in ambient air while in-situ thermogravimetric analysis (TGA) and in-situ x-ray diffraction (XRD) data were acquired. The thermal stability of a series of Cu and Fe powder with different Al 2 O 3 thicknesses were determined with TGA. In both samples a clear shift in oxidation temperature is visible. For Cu and Fe powder coated with 25 nm Al 2 O 3 , we observed an increase of the oxidation temperature with 300-400°C. For the Cu powder a thin film of only 8 nm is required to obtain an initial increase in oxidation temperature of 200°C. In contrast, for Fe powder a thicker coating of 25 nm is required. In both cases, the oxidation temperature increases with increasing thickness of the Al 2 O 3 coating. These results illustrate that the Al 2 O 3 thin film, deposited by the thermal ALD process (TMA/H 2 O) can be an efficient and pinhole-free barrier layer for micrometer-sized powder particles, provided that the powder is properly agitated during the process to ensure sufficient vapour-solid interaction. |
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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 |
000441492600108 |
Publication Date |
2018-06-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0257-8972 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.589 |
Times cited |
10 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the Strategic Initiative Materials in Flanders (SIM, SBO-FUNC project) and the Special Research Fund BOF of Ghent University (GOA 01G01513). J. D. acknowledges the Research Foundation Flanders (FWO-Vlaanderen) for a postdoctoral fellowship. N.C. and S.B. acknowledge financial support from European Research Council (ERC Starting Grant 335078-COLOURATOMS). The authors acknowledge S. Goeteyn for the assistance in preliminary depositions. (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); ecas_sara |
Approved |
Most recent IF: 2.589 |
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Call Number |
EMAT @ emat @c:irua:152174UA @ admin @ c:irua:152174 |
Serial |
4994 |
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| Permanent link to this record |
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Author |
Uytdenhouwen, Y.; Van Alphen, S.; Michielsen, I.; Meynen, V.; Cool, P.; Bogaerts, A. |
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Title |
A packed-bed DBD micro plasma reactor for CO 2 dissociation: Does size matter? |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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| |
Volume |
348 |
Issue |
|
Pages |
557-568 |
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Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
DBD plasma reactors are of great interest for environmental and energy applications, such as CO2 conversion, but they suffer from limited conversion and especially energy efficiency. The introduction of packing materials has been a popular subject of investigation in order to increase the reactor performance. Reducing the discharge gap of the reactor below one millimetre can enhance the plasma performance as well. In this work, we combine both effects and use a packed-bed DBD micro plasma reactor to investigate the influence of gap size reduction, in combination with a packing material, on the conversion and efficiency of CO2 dissociation. Packing materials used in this work were SiO2, ZrO2, and Al2O3 spheres as well as glass wool. The results are compared to a regular size reactor as a benchmark. Reducing the discharge gap can greatly increase the CO2 conversion, although at a lower energy efficiency. Adding a packing material further increases the conversion when keeping a constant residence time, but is greatly dependent on the material composition, gap and sphere size used. Maximum conversions of 50–55% are obtained for very long residence times (30 s and higher) in an empty reactor or with certain packing material combinations, suggesting a balance in CO2 dissociation and recombination reactions. The maximum energy efficiency achieved is 4.3%, but this is for the regular sized reactor at a short residence time (7.5 s). Electrical characterization is performed to reveal some trends in the electrical behaviour of the plasma upon reduction of the discharge gap and addition of a packing material. |
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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 |
000434467000055 |
Publication Date |
2018-05-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
22 |
Open Access |
Not_Open_Access: Available from 03.05.2020
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Notes |
We acknowledge financial support from the European Fund for Regional Development through the cross-border collaborative Interreg V program Flanders-the Netherlands (project EnOp), the Fund for Scientific Research (FWO; Grant Number: G.0254.14N) and an IOF-SBO (SynCO2Chem) project from the University of Antwerp. |
Approved |
Most recent IF: 6.216 |
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Call Number |
PLASMANT @ plasmant @c:irua:151238 |
Serial |
4956 |
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Author |
Zhang, H.; Wang, W.; Li, X.; Han, L.; Yan, M.; Zhong, Y.; Tu, X. |
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Title |
Plasma activation of methane for hydrogen production in a N2 rotating gliding arc warm plasma : a chemical kinetics study |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
345 |
Issue |
345 |
Pages |
67-78 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this work, a chemical kinetics study on methane activation for hydrogen production in a warm plasma, i.e., N-2 rotating gliding arc (RGA), was performed for the first time to get new insights into the underlying reaction mechanisms and pathways. A zero-dimensional chemical kinetics model was developed, which showed a good agreement with the experimental results in terms of the conversion of CH4 and product selectivities, allowing us to get a better understanding of the relative significance of various important species and their related reactions to the formation and loss of CH4, H-2, and C2H2 etc. An overall reaction scheme was obtained to provide a realistic picture of the plasma chemistry. The results reveal that the electrons and excited nitrogen species (mainly N-2(A)) play a dominant role in the initial dissociation of CH4. However, the H atom induced reaction CH4+ H -> CH3+ H-2, which has an enhanced reaction rate due to the high gas temperature (over 1200 K), is the major contributor to both the conversion of CH4 and H-2 production, with its relative contributions of > 90% and > 85%, respectively, when only considering the forward reactions. The coexistence and interaction of thermochemical and plasma chemical processes in the rotating gliding arc warm plasma significantly enhance the process performance. The formation of C-2 hydrocarbons follows a nearly one-way path of C2H6 -> C2H4 -> C2H2, explaining why the selectivities of C-2 products decreased in the order of C2H2 > C2H4 > C2H6. |
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Corporate Author |
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Thesis |
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Publisher |
Elsevier Sequoia |
Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000430696500008 |
Publication Date |
2018-03-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
25 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6.216 |
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Call Number |
UA @ lucian @ c:irua:151450 |
Serial |
5036 |
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Author |
Roegiers, J.; van Walsem, J.; Denys, S. |
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Title |
CFD- and radiation field modeling of a gas phase photocatalytic multi-tube reactor |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
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Volume |
338 |
Issue |
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Pages |
287-299 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
This paper focusses on the development of a Multiphysics model as a tool for assessing the performance of a multi-tube photoreactor. The model predicts the transient behavior of acetaldehyde concentration, as a model compound for the organic fraction of the indoor air pollutants, under varying sets of conditions. A 3D-model couples radiation field modeling with reaction kinetics and fluid dynamics in order to simulate the transport of the pollutant as it progresses through the reactor. A model-based approach is proposed to determine the layer thickness and refractive index of different P25-powder modified solgel coatings, using an optimization procedure to estimate these parameters based on UV-irradiance measurements. The radiation field model was able to accurately predict the irradiance on the catalytic surface within the reactor. Consequently, the radiation field model was used to define an irradiance dependent reaction rate constant in a coupled Multiphysics model. An optimization routine was deployed to estimate the adsorption, desorption- and photocatalytic reaction rate constants on the TiO2-surface, using experimentally determined, transient outlet concentrations of acetaldehyde. Additionally, a validation test was performed in an air-tight climate chamber at much higher flow rates, higher irradiance and realistic indoor pollutant concentrations to emphasize the reliability and accuracy of the parameters for adsorption, desorption and photocatalytic reaction. The developed model makes it possible to optimize the reactor design and scale-up for commercial applications. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000427618400031 |
Publication Date |
2018-01-08 |
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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 |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:149115 |
Serial |
7589 |
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Author |
Wang, W.; Kim, H.-H.; Van Laer, K.; Bogaerts, A. |
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Title |
Streamer propagation in a packed bed plasma reactor for plasma catalysis applications |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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| |
Volume |
334 |
Issue |
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Pages |
2467-2479 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A packed bed dielectric barrier discharge (DBD) is widely used for plasma catalysis applications, but the exact plasma characteristics in between the packing beads are far from understood. Therefore, we study here these plasma characteristics by means of fluid modelling and experimental observations using ICCD imaging, for packing materials with different dielectric constants. Our study reveals that a packed bed DBD reactor in dry air at atmospheric pressure may show three types of discharges, i.e. positive restrikes, filamentary microdischarges, which can also be localized between two packing beads, and surface discharges (so-called surface ionization
waves). Restrikes between the dielectric surfaces result in the formation of filamentary microdischarges, while surface charging creates electric field components parallel to the dielectric surfaces, leading to the formation of surface discharges. A transition in discharge mode occurs from surface discharges to local filamentary discharges between the packing beads when the dielectric constant of the packing rises from 5 to 1000. This may have implications for the efficiency of plasma catalytic gas treatment, because the catalyst activation may be limited by constraining the discharge to the contact points of the beads. The production of reactive species occurs most in the positive restrikes, the surface discharges and the local microdischarges in between the beads, and is less significant in the longer filamentary microdischarges. The faster streamer propagation and discharge development with higher dielectric constant of the packing beads leads to a faster production of reactive species. This study is of great interest for plasma catalysis, where packing beads with different dielectric constants are often used as supports for the catalytic materials. It allows us to better understand how different packing materials can influence the performance of packed bed plasma reactors for environmental applications. |
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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 |
000418533400246 |
Publication Date |
2017-11-23 |
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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 |
1385-8947 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
36 |
Open Access |
Not_Open_Access: Available from 10.01.2020
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Notes |
We acknowledge financial support from the Fund for Scientific Research Flanders (FWO) (grant nos G.0217.14 N, G.0254.14 N and G.0383.16 N), the TOP-BOF project of the University of Antwerp, the European Marie Skłodowska-Curie Individual Fellowship “GlidArc” within Horizon2020 (Grant No. 657304) and the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders). This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions – Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 6.216 |
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Call Number |
PLASMANT @ plasmant @c:irua:147864 |
Serial |
4800 |
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Author |
Chen, Y.; Wu, Y.; Wang, D.; Li, H.; Wang, Q.; Liu, Y.; Peng, L.; Yang, Q.; Li, X.; Zeng, G.; Chen, Y. |
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Title |
Understanding the mechanisms of how poly aluminium chloride inhibits short-chain fatty acids production from anaerobic fermentation of waste activated sludge |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
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Volume |
334 |
Issue |
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Pages |
1351-1360 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Poly aluminum chloride (PAC) is accumulated in waste activated sludge at high levels. However, details of how PAC affects short-chain fatty acids (SCFA) production from anaerobic sludge fermentation has not been documented. This work therefore aims to fill this knowledge gap by analyzing the impact of PAC on the aggregate of sludge flocs, disruption of extracellular polymeric substances (EPS), and the bio-processes of hydrolysis, acid-ogenesis, and methanogenesis. The relationship between SCFA production and different aluminum species (i.e., Ala, Alb, and Alc) was also identified by controlling different OH/Al ratio and pH in different fermentation systems. Experimental results showed that with the increase of PAC addition from 0 to 40 mg Al per gram of total suspended solids, SCFA yield decreased from 212.2 to 138.4 mg COD/g volatile suspended solids. Mechanism exploration revealed that PAC benefited the aggregates of sludge flocs and caused more loosely-and tightly-bound extracellular polymeric substances remained in sludge cells. Besides, it was found that the hydrolysis, acidiogenesis, and methanogenesis processes were all inhibited by PAC. Although three types of Al species, i.e., Ala (Al monomers, dimer, and trimer), Alb (Al-13(AlO4Al12(OH)(24)(H2O) 7+ 12), and Alc (Al polymer molecular weight normally larger than 3000 Da), were co-existed in fermentation systems, their impacts on SCFA production were different. No correlation was found between SCFA and Ala, whereas SCFA production decreased with the contents of Alb and Alc. Compared with Alb, Alc was the major contributor to the decreased SCFA production ( R-2 = 0.5132 vs R-2 = 0.98). This is the first report revealing the underlying mechanism of how PAC affects SCFA production and identifying the contribution of different Al species to SCFA inhibition. |
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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 |
000418533400135 |
Publication Date |
2017-11-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:148413 |
Serial |
8708 |
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Author |
Deshmukh, S.; Sankaran, K.J.; Korneychuk, S.; Verbeeck, J.; Mclaughlin, J.; Haenen, K.; Roy, S.S. |
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Title |
Nanostructured nitrogen doped diamond for the detection of toxic metal ions |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
283 |
Issue |
283 |
Pages |
1871-1878 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
This work demonstrates the applicability of one-dimensional nitrogen-doped diamond nanorods (N-DNRs) for the simultaneous electrochemical (EC) detection of Pb2+ and Cd2+ ions in an electrolyte solution. Well separated voltammetric peaks are observed for Pb2+ and Cd2+ ions using N-DNRs as a working electrode in square wave anodic stripping voltammetry measurements. Moreover, the cyclic voltammetry response of N-DNR electrodes towards the Fe(CN)(6)(/4-)/Fe(CN)(6)(/3-) redox reaction is better as compared to undoped DNR electrodes. This enhancement of EC performance in N-DNR electrodes is accounted by the increased amount of sp(2) bonded nanographitic phases, enhancing the electrical conductivity at the grain boundary (GB) regions. These findings are supported by transmission electron microscopy and electron energy loss spectroscopy studies. Consequently, the GB defect induced N-DNRs exhibit better adsorption of metal ions, which makes such samples promising candidates for next generation EC sensing devices. (C) 2018 Elsevier Ltd. All rights reserved. |
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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 |
000441077900203 |
Publication Date |
2018-07-21 |
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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 |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
22 |
Open Access |
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Notes |
Sujit Deshmukh indebted to Shiv Nadar University for providing Ph. D. scholarship. The FEI Quanta SEM and Qu-Ant-EM microscope used for the TEM experiments was partly funded by the Hercules fund from the Flemish Government. S. K. and J. V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. Kamatchi Jothiramalingam Sankaran is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO). Prof. Ken Haenen acknowledges the Methusalem “NANO” network for financial support. |
Approved |
Most recent IF: 4.798 |
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Call Number |
UA @ admin @ c:irua:153072 |
Serial |
5366 |
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| Permanent link to this record |
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Author |
Zhao, C.X.; Xu, W.; Dong, H.M.; Yu, Y.; Qin, H.; Peeters, F.M. |
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Title |
Enhancement of plasmon-photon coupling in grating coupled graphene inside a Fabry-Perot cavity |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
280 |
Issue |
280 |
Pages |
45-49 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a theoretical investigation of the plasmon-polariton modes in grating coupled graphene inside a Fabry-Perot cavity. The cavity or photon modes of the device are determined by the Finite Difference Time Domain (FDTD) simulations and the corresponding plasmon-polariton modes are obtained by applying a many-body self-consistent field theory. We find that in such a device structure, the electric field strength of the incident electromagnetic (EM) field can be significantly enhanced near the edges of the grating strips. Thus, the strong coupling between the EM field and the plasmons in graphene can be achieved and the features of the plasmon-polariton oscillations in the structure can be observed. It is found that the frequencies of the plasmon-polariton modes are in the terahertz (THz) bandwidth and depend sensitively on electron density which can be tuned by applying a gate voltage. Moreover, the coupling between the cavity photons and the plasmons in graphene can be further enhanced by increasing the filling factor of the device. This work can help us to gain an in-depth understanding of the THz plasmonic properties of graphene-based structures. |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000439059600008 |
Publication Date |
2018-06-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0038-1098 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.554 |
Times cited |
1 |
Open Access |
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Notes |
; This work is supported by the National Natural Science Foundation of China (Grand No. 11604192 and Grant No. 11574319); the Center of Science and Technology of Hefei Academy of Science; the Ministry of Science and Technology of China (Grant No. 2011YQ130018); Department of Science and Technology of Yunnan Province; Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 1.554 |
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Call Number |
UA @ lucian @ c:irua:152369UA @ admin @ c:irua:152369 |
Serial |
5024 |
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Author |
Marikutsa, A.; Yang, L.; Rumyantseva, M.; Batuk, M.; Hadermann, J.; Gaskov, A. |
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Title |
Sensitivity of nanocrystalline tungsten oxide to CO and ammonia gas determined by surface catalysts |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Sensors and actuators : B : chemical |
Abbreviated Journal |
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Volume |
277 |
Issue |
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Pages |
336-346 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Nanocrystalline tungsten oxide with variable particle size and surface area was synthesized by aqueous deposition and heat treatment for use in resistive gas sensors. Surface modification with 1 wt.% Pd and Ru was performed by impregnation to improve the sensitivity to CO and ammonia. Acid and oxidation surface sites were evaluated by temperature-programmed techniques using probe molecules. The surface acidity dropped with increasing particle size, and was weakly affected by additives. Lower crystallinity of WO3 and the presence of Ru species favoured temperature-programmed reduction of the materials. Modifying WO3 increased its sensitivity, to CO at ambient condition for modification by Pd and to NH3 at elevated temperature for Ru modification. An in situ infrared study of the gas – solid interaction showed that the catalytic additives change the interaction route of tungsten oxide with the target gases and make the reception of detected molecules independent of the semiconductor oxide matrix. |
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Corporate Author |
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Place of Publication |
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Wos |
000453066700042 |
Publication Date |
2018-09-09 |
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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 |
0925-4005 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:156219 |
Serial |
8513 |
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Author |
Pauwels, D.; Ching, H.Y.V.; Samanipour, M.; Neukermans, S.; Hereijgers, J.; Van Doorslaer, S.; De Wael, K.; Breugelmans, T. |
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Title |
Identifying intermediates in the reductive intramolecular cyclisation of allyl 2-bromobenzyl ether by an improved electron paramagnetic resonance spectroelectrochemical electrode design combined with density functional theory calculations |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
271 |
Issue |
271 |
Pages |
10-18 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
The electrochemical activation of C-X bonds requires very negative electrode potentials. Lowering the overpotentials and increasing the catalytic activity requires intensive electrocatalytic research. A profound understanding of the reaction mechanism and the influence of the electrocatalyst allows optimal tuning of the electrocatalyst. This can be achieved by combining electrochemical techniques with electron paramagnetic resonance (EPR) spectroscopy. Although this was introduced in the mid-twentieth century, the application of this combined approach in electrocatalytic research is underexploited. Several reasons can be listed, such as the limited availability of EPR instrumentation and electrochemical devices for such in situ experiments. In this work, a simple and inexpensive construction adapted for in situ EPR electrocatalytic research is proposed. The proof of concept is provided by studying a model reaction, namely the reductive cyclisation of allyl 2-bromobenzyl ether which has interesting industrial applications. |
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Address |
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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
000430369800002 |
Publication Date |
2018-03-20 |
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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 |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
2 |
Open Access |
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Notes |
; The authors would like to thank Melissa Van Landeghem for her assistance with the experimental work and analysis of the data. Jonas Hereijgers greatly acknowledges the Research Foundation Flanders (FWO) for support through a Post-Doctoral grant (12Q8817N). H.Y. Vincent Ching gratefully acknowledges the University of Antwerp for a Post-Doctoral grant. Sabine Van Doorslaer and Tom Breugelmans acknowledge the FWO for research funding (research grant G093317N). ; |
Approved |
Most recent IF: 4.798 |
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Call Number |
UA @ admin @ c:irua:150463 |
Serial |
5652 |
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| Permanent link to this record |
