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Records |
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Author |
Sobrino Fernandez, M.M.; Neek-Amal, M.; Peeters, F.M. |
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Title |
AA-stacked bilayer square ice between graphene layers |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
92 |
Issue |
92 |
Pages |
245428 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Water confined between two graphene layers with a separation of a few A forms a layered two-dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer ice with a rhombic-square structure nucleates between the graphene layers which is nonpolar and nonferroelectric. We provide different energetic considerations and H-bonding results that explain the interlayer and intralayer properties of two-dimensional ice. The controversial AA stacking found experimentally [Algara-Siller et al., Nature (London) 519, 443 (2015)] is consistent with our minimum-energy crystal structure of bilayer ice. Furthermore, we predict that an odd number of layers of ice has the same lattice structure as monolayer ice, while an even number of ice layers exhibits the square ice AA stacking of bilayer ice. |
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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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000366731800004 |
Publication Date |
2015-12-17 |
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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 |
1098-0121; 1550-235x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
40 |
Open Access |
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|
Notes |
; This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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Call Number |
c:irua:130203 |
Serial |
4127 |
Permanent link to this record |
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Author |
Sobrino Fernandez, M.; Misko, V.R.; Peeters, F.M. |
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Title |
Self-assembly of Janus particles confined in a channel |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
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Volume |
89 |
Issue |
2 |
Pages |
022306-6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Janus particles present an important class of building blocks for directional assembly. These are compartmentalized colloids with two different hemispheres. Here, we consider a two-dimensional model of Janus disks consisting of a hydrophobic semicircle and an electro-negatively charged one. Placed in a solution, the hydrophobic sides will attract each other while the charged sides will give rise to a repulsive force. Using molecular dynamics simulations, we study the morphology of these particles when confined in a channel-like environment using a one dimensional harmonic confinement potential. The interest to this system is first of all due to the fact that it could serve as a simple model for membrane formation. Indeed, the recently synthesized new class of artificial amphiphiles, known as Janus dendrimers, were shown to self-assemble in bilayer structures mimicking biological membranes. In turn, Janus particles that combine the amphiphilicity and colloidal rigidity serve as a good model for Janus dendrimers. A variety of ordered membrane-like morphologies are found consisting of single and multiple chain configurations with different orientations of the particles with respect to each other that we summarize in a phase diagram. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
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Language |
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Wos |
000332179900009 |
Publication Date |
2014-02-21 |
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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 |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
11 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and by the “Odysseus” program of the Flemish government and FWO-Vl. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
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Call Number |
UA @ lucian @ c:irua:115858 |
Serial |
2971 |
Permanent link to this record |
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Author |
Sobrino Fernandez, M.; Misko, V.R.; Peeters, F.M. |
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Title |
Self-assembly of Janus particles into helices with tunable pitch |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
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Volume |
92 |
Issue |
92 |
Pages |
042309 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Janus particles present an important class of building blocks for directional assembly. These are compartmentalized colloids with two different hemispheres. In this work we consider a three-dimensional model of Janus spheres that contain one hydrophobic and one charged hemisphere. Using molecular dynamics simulations, we study the morphology of these particles when confined in a channel-like environment. The interplay between the attractive and repulsive forces on each particle gives rise to a rich phase space where the relative orientation of each particle plays a dominant role in the formation of large-scale clusters. The interest in this system is primarily due to the fact that it could give a better understanding of the mechanisms of the formation of polar membranes. A variety of ordered membranelike morphologies is found consisting of single and multiple connected chain configurations. The helicity of these chains can be chosen by simply changing the salt concentration of the solution. Special attention is given to the formation of Bernal spirals. These helices are composed of regular tetrahedra and are known to exhibit nontrivial translational and rotational symmetry. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
Melville, N.Y. |
Editor |
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Language |
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Wos |
000362903700004 |
Publication Date |
2015-10-15 |
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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 |
1539-3755; 1550-2376 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
18 |
Open Access |
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Notes |
; This work was supported by the Fund for Scientific Research Flanders (FWO) and by the “Odysseus” program of the Flemish government and FWO. ; |
Approved |
Most recent IF: 2.366; 2015 IF: 2.288 |
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Call Number |
UA @ lucian @ c:irua:129416 |
Serial |
4241 |
Permanent link to this record |
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Author |
Sobrino Fernández, M. |
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Title |
Confinement induced assembly of anisotropic particles : patchy colloids and water molecules |
Type |
Doctoral thesis |
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Year |
2016 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:135841 |
Serial |
4349 |
Permanent link to this record |
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Author |
Snoeckx, R.; Zeng, Y.X.; Tu, X.; Bogaerts, A. |
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Title |
Plasma-based dry reforming : improving the conversion and energy efficiency in a dielectric barrier discharge |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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Volume |
5 |
Issue |
5 |
Pages |
29799-29808 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Dry reforming of methane has gained significant interest over the years. A novel reforming technique with great potential is plasma technology. One of its drawbacks, however, is energy consumption. Therefore, we performed an extensive computational study, supported by experiments, aiming to identify the influence of the operating parameters (gas mixture, power, residence time and frequency) of a dielectric barrier discharge plasma on the conversion and energy efficiency, and to investigate which of these parameters lead to the most promising results and whether these are eventually sufficient for industrial implementation. The best results, in terms of both energy efficiency and conversion, are obtained at a specific energy input (SEI) of 100 J cm−3, a 1090 CH4CO2 ratio, 10 Hz, a residence time of 1 ms, resulting in a total conversion of 84% and an energy efficiency of 8.5%. In general, increasing the CO2 content in the gas mixture leads to a higher conversion and energy efficiency. The SEI couples the effect of the power and residence time, and increasing the SEI always results in a higher conversion, but somewhat lower energy efficiencies. The effect of the frequency is more complicated: we observed that the product of frequency (f) and residence time (τ), being a measure for the total number of micro-discharge filaments which the gas molecules experience when passing through the reactor, was critical. For most cases, a higher number of filaments yields higher values for conversion and energy efficiency. To benchmark our model predictions, we also give an overview of measured conversions and energy efficiencies reported in the literature, to indicate the potential for improvement compared to the state-of-the art. Finally, we identify the limitations as well as the benefits and future possibilities of plasma technology. |
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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 |
000352789500026 |
Publication Date |
2015-03-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2046-2069; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.108 |
Times cited |
67 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.108; 2015 IF: 3.840 |
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Call Number |
c:irua:132577 |
Serial |
2629 |
Permanent link to this record |
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Author |
Snoeckx, R.; Wang, W.; Zhang, X.; Cha, M.S.; Bogaerts, A. |
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Title |
Plasma-based multi-reforming for Gas-To-Liquid: tuning the plasma chemistry towards methanol |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
8 |
Issue |
1 |
Pages |
15929 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Because of its unique properties, plasma technology has gained much prominence in the
microelectronics industry. Recently, environmental and energy applications of plasmas have gained a lot of attention. In this area, the focus is on converting CO 2 and reforming hydrocarbons, with the goal of developing an efficient single-step ‘gas-to-liquid’ (GTL) process. Here we show that applying tri-reforming principles to plasma—further called ‘plasma-based multi-reforming’—allows us to better control the plasma chemistry and thus the formed products. To demonstrate this, we used chemical kinetics calculations supported by experiments and reveal that better control of the plasma chemistry can be achieved by adding O 2 or H 2 O to a mixture containing CH 4 and CO 2 (diluted in N 2 ). Moreover, by adding O 2 and H 2 O simultaneously, we can tune the plasma chemistry even further, improving the conversions, thermal efficiency and methanol yield. Unlike thermocatalytic reforming, plasma-based reforming is capable of producing methanol in a single step; and compared with traditional plasma-based dry reforming, plasma-based multi-reforming increases the methanol yield by more than seven times and the thermal efficiency by 49%, as revealed by our model calculations. Thus, we believe that by using plasma-based multi-reforming, ‘gas-to-liquid’ conversion may be made efficient and scalable. |
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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 |
000448589200005 |
Publication Date |
2018-10-23 |
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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 |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the Competitive Research Funding from King Abdullah University of Science and Technology (KAUST), the European Marie Skłodowska-Curie Individual Fellowship “GlidArc” within Horizon2020 (Grant No. 657304), the Fund for Scientific Research Flanders (FWO) (grant nos G.0217.14 N, G.0254.14 N and G.0383.16 N) and the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’, financially supported by the Belgian Federal Office for Science Policy (BELSPO). This work was carried out, in part, using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. |
Approved |
Most recent IF: 4.259 |
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Call Number |
PLASMANT @ plasmant @c:irua:154868 |
Serial |
5066 |
Permanent link to this record |
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Author |
Snoeckx, R.; Van Wesenbeeck, K.; Lenaerts, S.; Cha, M.S.; Bogaerts, A. |
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Title |
Suppressing the formation of NOxand N2O in CO2/N2dielectric barrier discharge plasma by adding CH4: scavenger chemistry at work |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Sustainable Energy & Fuels |
Abbreviated Journal |
Sustainable Energy Fuels |
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Volume |
3 |
Issue |
6 |
Pages |
1388-1395 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The need for carbon negative technologies led to the development of a wide array of novel CO<sub>2</sub>conversion techniques. Most of them either rely on high temperatures or generate highly reactive O species, which can lead to the undesirable formation of NO<sub>x</sub>and N<sub>2</sub>O when the CO<sub>2</sub>feeds contain N<sub>2</sub>. Here, we show that, for plasma-based CO<sub>2</sub>conversion, adding a hydrogen source, as a chemical oxygen scavenger, can suppress their formation,<italic>in situ</italic>. This allows the use of low-cost N<sub>2</sub>containing (industrial and direct air capture) feeds, rather than expensive purified CO<sub>2</sub>. To demonstrate this, we add CH<sub>4</sub>to a dielectric barrier discharge plasma used for converting impure CO<sub>2</sub>. We find that when adding a stoichiometric amount of CH<sub>4</sub>, 82% less NO<sub>2</sub>and 51% less NO are formed. An even higher reduction (96 and 63%) can be obtained when doubling this amount. However, in that case the excess radicals promote the formation of by-products, such as HCN, NH<sub>3</sub>and CH<sub>3</sub>OH. Thus, we believe that by using an appropriate amount of chemical scavengers, we can use impure CO<sub>2</sub>feeds, which would bring us closer to ‘real world’ conditions and implementation. |
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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 |
000469258600021 |
Publication Date |
2019-02-20 |
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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 |
2398-4902 |
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 |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, G0F9618N ; Universiteit Antwerpen; King Abdullah University of Science and Technology, BAS/1/1384-01-01 ;The research reported in this publication was supported by funding from the “Excellence of Science Program” (Fund for Scientic Research Flanders (FWO): grant no. G0F9618N; EOS ID: 30505023). The authors R. S. and M. S. C. acknowledge nancial support from King Abdullah University of Science and Technology (KAUST), under award number BAS/1/1384-01-01. |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:160268 |
Serial |
5188 |
Permanent link to this record |
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Author |
Snoeckx, R.; Setareh, M.; Aerts, R.; Simon, P.; Maghari, A.; Bogaerts, A. |
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Title |
Influence of N2 concentration in a CH4/N2 dielectric barrier discharge used for CH4 conversion into H2 |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
International journal of hydrogen energy |
Abbreviated Journal |
Int J Hydrogen Energ |
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Volume |
38 |
Issue |
36 |
Pages |
16098-16120 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present a combined study of experimental and computational work for a dielectric barrier discharge (DBD) used for CH4 conversion into H2. More specifically, we investigated the influence of N2 as an impurity (150,000 ppm) and as additive gas (199%) on the CH4 conversion and H2 yield. For this purpose, a zero-dimensional chemical kinetics model is applied to study the plasma chemistry. The calculated conversions and yields for various gas mixing ratios are compared to the obtained experimental values, and good agreement is achieved. The study reveals the significance of the View the MathML source and View the MathML source metastable states for the CH4 conversion into H2, based on a kinetic analysis of the reaction chemistry. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000327904500027 |
Publication Date |
2013-10-23 |
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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 |
0360-3199; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.582 |
Times cited |
40 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.582; 2013 IF: 2.930 |
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Call Number |
UA @ lucian @ c:irua:111372 |
Serial |
1642 |
Permanent link to this record |
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Author |
Snoeckx, R.; Rabinovich, A.; Dobrynin, D.; Bogaerts, A.; Fridman, A. |
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Title |
Plasma-based liquefaction of methane: The road from hydrogen production to direct methane liquefaction |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
14 |
Issue |
14 |
Pages |
1600115 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
For the energy industry, a process that is able to transform methane—being the prime component of natural gas—efficiently into a liquid product would be equivalent to a goose with golden eggs. As such it is no surprise that research efforts in this field already date back to the nineteen hundreds. Plasma technology can be considered to be a novel player in this field, but nevertheless one with great potential. Over the past decades this technology has evolved from sole hydrogen production, over indirect methane liquefaction to eventually direct plasma-assisted methane liquefaction processes. An overview of this evolution and these processes is presented, from which it becomes clear that the near future probably lies with the direct two phase plasma-assisted methane liquefaction and the far future with the direct oxidative methane liquefaction. |
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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 |
000403699900008 |
Publication Date |
2016-10-28 |
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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 |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
16 |
Open Access |
Not_Open_Access |
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Notes |
Advanced Plasma Solutions; Drexel University; Federaal Wetenschapsbeleid; Fonds De La Recherche Scientifique – FNRS, G038316N V403616N ; |
Approved |
Most recent IF: 2.846 |
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Call Number |
PLASMANT @ plasmant @ c:irua:144212 |
Serial |
4622 |
Permanent link to this record |
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Author |
Snoeckx, R.; Ozkan, A.; Reniers, F.; Bogaerts, A. |
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Title |
The Quest for Value-Added Products from Carbon Dioxide and Water in a Dielectric Barrier Discharge: A Chemical Kinetics Study |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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Volume |
10 |
Issue |
10 |
Pages |
409-424 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Recycling of carbon dioxide by its conversion into value-added products has gained significant interest owing to the role it can play for use in an anthropogenic carbon cycle. The combined conversion with H2O could even mimic the natural photosynthesis process. An interesting gas conversion technique currently being considered in the field of CO2 conversion is plasma technology. To investigate whether it is also promising for this combined conversion, we performed a series of experiments and developed a chemical kinetics plasma chemistry model for a deeper understanding of the process. The main products formed were the syngas components CO and H2, as well as O2 and H2O2, whereas methanol formation was only observed in the parts-per-billion to parts-per-million range. The syngas ratio, on the other hand, could easily be controlled by varying both the water content and/or energy input. On the basis of the model, which was validated with experimental results, a chemical kinetics analysis was performed, which allowed the construction and investigation of the different pathways leading to the observed experimental results and which helped to clarify these results. This approach allowed us to evaluate this technology on the basis of its underlying chemistry and to propose solutions on how to further improve the formation of value-added products by using plasma technology. |
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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 |
000394571900012 |
Publication Date |
2016-11-25 |
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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 |
1864-5631 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.226 |
Times cited |
25 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the Inter-university Attraction Pole (IAP; grant number IAP-VII/12, P7/34) program “PSI-Physical Chemistry of Plasma-Surface Interactions”, financially supported by the Belgian Federal Office for Science Policy (BELSPO), as well as the Fund for Scientific Research Flanders (FWO; grant number G.0066.12N). This work was performed in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. We also would like to thank the financial support given by “Fonds David et Alice Van Buuren”. Finally, we are very grateful to M. Kushner for providing the Global kin code, to T. Dufour for his support during the experiments, and to R. Aerts for his support during the model development. |
Approved |
Most recent IF: 7.226 |
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Call Number |
PLASMANT @ plasmant @ c:irua:139880 |
Serial |
4412 |
Permanent link to this record |
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Author |
Snoeckx, R.; Heijkers, S.; Van Wesenbeeck, K.; Lenaerts, S.; Bogaerts, A. |
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Title |
CO2conversion in a dielectric barrier discharge plasma: N2in the mix as a helping hand or problematic impurity? |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Energy & environmental science |
Abbreviated Journal |
Energ Environ Sci |
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Volume |
9 |
Issue |
9 |
Pages |
999-1011 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL) |
|
Abstract |
Carbon dioxide conversion and utilization has gained significant interest over the years. A novel gas conversion technique with great potential in this area is plasma technology. A lot of research has already been performed, but mostly on pure gases. In reality, N2 will always be an important impurity in effluent
gases. Therefore, we performed an extensive combined experimental and computational study on the effect of N2 in the range of 1–98% on CO2 splitting in dielectric barrier discharge (DBD) plasma. The presence of up to 50% N2 in the mixture barely influences the effective (or overall) CO2 conversion and energy efficiency, because the N2 metastable molecules enhance the absolute CO2 conversion, and this compensates for the lower CO2 fraction in the mixture. Higher N2 fractions, however, cause a drop in the CO2 conversion and energy efficiency. Moreover, in the entire CO2/N2 mixing ratio, several harmful compounds, i.e., N2O and NOx compounds, are produced in the range of several 100 ppm. The reaction pathways for the formation of these compounds are explained based on a kinetic analysis, which allows proposing solutions on how to prevent the formation of these harmful compounds. |
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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 |
000372243600030 |
Publication Date |
2015-12-15 |
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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 |
|
Edition |
|
|
ISSN |
1754-5692 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
29.518 |
Times cited |
68 |
Open Access |
|
|
Notes |
The authors acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’, financially supported by the Belgian Federal Office for Science Policy (BELSPO), as well as the Fund for Scientific Research Flanders (FWO). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. |
Approved |
Most recent IF: 29.518 |
|
Call Number |
c:irua:133169 |
Serial |
4020 |
Permanent link to this record |
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|
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Author |
Snoeckx, R.; Bogaerts, A. |
|
Title |
Plasma technology – a novel solution for CO2conversion? |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Chemical Society reviews |
Abbreviated Journal |
Chem Soc Rev |
|
Volume |
46 |
Issue |
19 |
Pages |
5805-5863 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
CO2 conversion into value-added chemicals and fuels is considered as one of the great challenges of the 21st century. Due to the limitations of the traditional thermal approaches, several novel technologies are being developed. One promising approach in this field, which has received little attention to date, is plasma
technology. Its advantages include mild operating conditions, easy upscaling, and gas activation by energetic electrons instead of heat. This allows thermodynamically difficult reactions, such as CO2 splitting and the dry reformation of methane, to occur with reasonable energy cost. In this review, after exploring the traditional thermal approaches, we have provided a brief overview of the fierce competition between various novel approaches in a quest to find the most effective and efficient CO2 conversion technology. This is needed to critically assess whether plasma technology can be successful in an already crowded arena. The following questions need to be answered in this regard: are there key advantages to using plasma technology over other novel approaches, and if so, what is the flip side to the use of this technology? Can plasma technology be successful on its own, or can synergies be achieved by combining it with other technologies? To answer
these specific questions and to evaluate the potentials and limitations of plasma technology in general, this review presents the current state-of-the-art and a critical assessment of plasma-based CO2 conversion, as well as the future challenges for its practical implementation. |
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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 |
000412141600006 |
Publication Date |
2017-08-21 |
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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 |
|
Edition |
|
|
ISSN |
0306-0012 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
38.618 |
Times cited |
168 |
Open Access |
OpenAccess |
|
Notes |
We would like to thank W. Wang (University of Antwerp) for providing the data on the thermal equilibrium conversions. Furthermore, we acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) programme ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Methusalem financing of the University of Antwerp, the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N, G.0254.14N and G.0217.14N), the TOP research project of the Research Fund of the University of Antwerp (grant ID. 32249). |
Approved |
Most recent IF: 38.618 |
|
Call Number |
PLASMANT @ plasmant @c:irua:145921 |
Serial |
4709 |
Permanent link to this record |
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|
Author |
Snoeckx, R.; Aerts, R.; Tu, X.; Bogaerts, A. |
|
Title |
Plasma-based dry reforming : a computational study ranging from the nanoseconds to seconds time scale |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
Volume |
117 |
Issue |
10 |
Pages |
4957-4970 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
We present a computational study for the conversion of CH4 and CO2 into value-added chemicals, i.e., the so-called dry reforming of methane, in a dielectric barrier discharge reactor. A zero-dimensional chemical kinetics model is applied to study the plasma chemistry in a 1:1 CH4/CO2 mixture. The calculations are first performed for one microdischarge pulse and its afterglow, to study in detail the chemical pathways of the conversion. Subsequently, long time-scale simulations are carried out, corresponding to real residence times in the plasma, assuming a large number of consecutive microdischarge pulses, to mimic the conditions of the filamentary discharge regime in a dielectric barrier discharge (DBD) reactor. The conversion of CH4 and CO2 as well as the selectivity of the formed products and the energy cost and energy efficiency of the process are calculated and compared to experiments for a range of different powers and gas flows, and reasonable agreement is reached. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000316308400010 |
Publication Date |
2013-02-18 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.536 |
Times cited |
118 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
|
Call Number |
UA @ lucian @ c:irua:106516 |
Serial |
2628 |
Permanent link to this record |
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Author |
Snoeckx, R. |
|
Title |
Plasma technology : a novel solution for CO2 conversion? |
Type |
Doctoral thesis |
|
Year |
2017 |
Publication |
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Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
|
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
Call Number |
UA @ lucian @ c:irua:143110 |
Serial |
4680 |
Permanent link to this record |
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|
Author |
Snoeck, E.; Van Tendeloo, G. |
|
Title |
Networking strategies of the microscopy community for improved utilisation of advanced instruments : (3) two European initiatives to support TEM infrastructures and promote electron microscopy over Europe, ESTEEM (20062011) and ESTEEM 2 (20122016) |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Comptes rendus : physique |
Abbreviated Journal |
Cr Phys |
|
Volume |
15 |
Issue |
2-3 |
Pages |
281-284 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
The ESTEEM consortium of electron microscopy laboratories for materials science and solid-state physics has been created as an EU-supported delocalized infrastructure (I3) to bring together the major electron microscopy centres in Europe. Its main objectives were to develop networking, to offer transnational access to these centres with specialized and complementary techniques and skills and to upgrade in close collaboration different technical and methodological aspects such as tomography, spectroscopy, holography, detectors, and specimen holders. These efforts were aimed to strengthen the position of European microscopy and to generate new technologies potentially of high relevance in many domains identified as strategic. Following the success of the first program, ESTEEM has been reconducted in 2012 for four more years with an enlarged set of partners. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000334013600017 |
Publication Date |
2014-01-24 |
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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 |
|
Series Issue |
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Edition |
|
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ISSN |
1631-0705; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.048 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 2.048; 2014 IF: 2.035 |
|
Call Number |
UA @ lucian @ c:irua:115550 |
Serial |
2293 |
Permanent link to this record |
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Author |
Smondyrev, M.A.; Verbist, G.; Peeters, F.M.; Devreese, J.T. |
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Title |
Stability of multipolaron matter |
Type |
A1 Journal article |
|
Year |
1993 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
Volume |
47 |
Issue |
5 |
Pages |
2596-2601 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1993KL78900022 |
Publication Date |
2002-07-27 |
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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 |
|
Edition |
|
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ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.736 |
Times cited |
10 |
Open Access |
|
|
Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:5745 |
Serial |
3127 |
Permanent link to this record |
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Author |
Smondyrev, M.A.; Vansant, P.; Peeters, F.M.; Devreese, J.T. |
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Title |
Nonlinear Schrödinger equation on a circle |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
Volume |
52 |
Issue |
15 |
Pages |
11231-11237 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
The nonlinear Schrodinger equation is solved on an infinitesimal thin ring or circle. We obtained the exact real wave functions with their corresponding energies for the ground state and the excited states. Critical values of the circle perimeter are found at which the ground state changes its structure and additional higher excited states appear. Also, the complex wave functions that correspond to energy levels with finite angular momentum are studied. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1995TA85200087 |
Publication Date |
2002-07-27 |
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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 |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
5 |
Open Access |
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|
Notes |
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Approved |
PHYSICS, APPLIED 47/145 Q2 # |
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Call Number |
UA @ lucian @ c:irua:11697 |
Serial |
2356 |
Permanent link to this record |
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Author |
Smondyrev, M.A.; Vansant, P.; Peeters, F.M.; Devreese, J.T. |
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Title |
Nonlinear Schrödinger equation on a ring |
Type |
A3 Journal article |
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Year |
1994 |
Publication |
JINR communications |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Publisher |
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Place of Publication |
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Editor |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 47/145 Q2 # |
|
Call Number |
UA @ lucian @ c:irua:9279 |
Serial |
2357 |
Permanent link to this record |
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Author |
Smondyrev, M.A.; Shanenko, A.A.; Devreese, J.T. |
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Title |
Stability criterion for large bipolarons in a polaron-gas background |
Type |
A1 Journal article |
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Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
63 |
Issue |
|
Pages |
024302,1-4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
1098-0121; 0163-1829 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
|
Open Access |
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|
Notes |
|
Approved |
Most recent IF: 3.836; 2001 IF: NA |
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Call Number |
UA @ lucian @ c:irua:34310 |
Serial |
3122 |
Permanent link to this record |
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Author |
Smondyrev, M.A.; Peeters, F.M.; Vansant, P.; Devreese, J.T. |
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Title |
Exact equations for large bipolarons in the strong-coupling limit |
Type |
A1 Journal article |
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Year |
1994 |
Publication |
Journal of physics: A: mathematical and general |
Abbreviated Journal |
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Volume |
27 |
Issue |
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Pages |
7925-7936 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
A1994PW35300035 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0305-4470 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
17 |
Open Access |
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Notes |
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Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:9276 |
Serial |
1106 |
Permanent link to this record |
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Author |
Smondyrev, M.A.; Kochetov, E.A.; Verbist, G.; Peeters, F.M.; Devreese, J.T. |
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Title |
Equivalence of 3D bipolarons in a strong magnetic field to 1D bipolarons |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
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Volume |
19 |
Issue |
6 |
Pages |
519-524 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
A1992JG44300013 |
Publication Date |
2007-07-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0295-5075;1286-4854; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.095 |
Times cited |
17 |
Open Access |
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Notes |
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Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:2911 |
Serial |
1079 |
Permanent link to this record |
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Author |
Smondyrev, M.A.; Devreese, J.T.; Peeters, F.M. |
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Title |
Asymptotic expansions in the path integral approach to the bipolaron problem |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
51 |
Issue |
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Pages |
15008-15016 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1995RC32900022 |
Publication Date |
2002-07-27 |
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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 |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.736 |
Times cited |
32 |
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:11693 |
Serial |
161 |
Permanent link to this record |
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Author |
Smolin, S.Y.; Choquette, A.K.; Wilks, R.G.; Gauquelin, N.; Félix, R.; Gerlach, D.; Ueda, S.; Krick, A.L.; Verbeeck, J.; Bär, M.; Baxter, J.B.; May, S.J. |
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Title |
Energy Level Alignment and Cation Charge States at the LaFeO3/LaMnO3(001) Heterointerface |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
|
Volume |
4 |
Issue |
4 |
Pages |
1700183 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
The electronic properties of LaFeO 3 /LaMnO 3 epitaxial heterojunctions are investigated to determine the valence and conduction band offsets and the nominal Mn and Fe valence states at the interface. Studying a systematic series of (LaFeO 3 ) n /(LaMnO 3 ) m bilayers (m ≈ 50) epitaxially grown in the (001) orientation using molecular beam epitaxy, layer-resolved electron energy loss spectroscopy reveals a lack of significant interfacial charge transfer, with a nominal 3+ valence state observed for both Mn and Fe across the interface. Through a combination of variable angle spectroscopic ellipsometry and hard X-ray photoelectron spectroscopy, type I energy level alignments are obtained at the LaFeO 3 /LaMnO 3 interface with positive valence and conduction band offsets of (1.20 ± 0.07) eV and (0.5–0.7 ± 0.3) eV, respectively, with minimal band bending. Variable temperature resistivity measurements reveal that the bilayers remain insulating and that the presence of the heterojunction does not result in a conducting interface. |
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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 |
000406068400011 |
Publication Date |
2017-04-26 |
|
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
2196-7350 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.279 |
Times cited |
14 |
Open Access |
Not_Open_Access |
|
Notes |
The authors thank Dmytro Nykypanchuk for assistance with the near- infrared ellipsometry measurement of the LaMnO 3 film. S.Y.S., A.K.C., J.B.B, and S.J.M. acknowledge funding from the National Science Foundation under grant number ECCS-1201957. S.Y.S. acknowledges additional funding from the German Academic Exchange Service (DAAD) through the Research Internships in Science and Engineering (RISE) professional program 2015 ID 5708457. A.L.K. was funded by the National Science Foundation under grant number DMR-1151649. J.V. and N.G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp and from the FWO project G.0044.13N (Charge ordering). The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. Ellipsometry measurements of the LaMnO 3 film were carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-ACO2-98CH10886. S.U. would like to thank the staff of HiSOR, Hiroshima University, and JAEA/Spring-8 for the development of HAXPES at BL15XU of SPring-8. The HAXPES measurements were performed with approval of NIMS Synchrotron X-ray Station (Proposal No. 2015B4601), and were partly supported by the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan. The authors also thank HZB for the allocation of synchrotron radiation beamtime for HAXPES/XANES measurements. R.G.W., R.F, and M.B. are grateful to the Impuls- und Vernetzungsfonds of the Helmholtz Association (VH-NG-423).; National Science Foundation, ECCS-1201957 DMR-1151649 ; Deutscher Akademischer Austauschdienst, 2015 ID 5708457 ; GOA project; Fonds Wetenschappelijk Onderzoek, G.0044.13N ; Flemish Government; U.S. Department of Energy, DE-ACO2-98CH10886 ; Vernetzungsfonds of the Helmholtz Association, VH-NG-423 ; |
Approved |
Most recent IF: 4.279 |
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Call Number |
EMAT @ emat @ c:irua:142346UA @ admin @ c:irua:142346 |
Serial |
4553 |
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Author |
Smolders, S.; Willhammar, T.; Krajnc, A.; Şentosun, K.; Wharmby, M.T.; Lomachenko, K.A.; Bals, S.; Mali, G.; Roeffaers, M.B.J.; De Vos, D.E.; Bueken, B. |
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Title |
A titanium(IV)-based metal-organic framework featuring defect-rich Ti-O sheets as an oxidative desulfurization catalyst |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
58 |
Issue |
58 |
Pages |
9160-9165 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
While titanium-based metal-organic frameworks (MOFs) have been widely studied for their (photo) catalytic potential, only a few Ti-IV MOFs have been reported owing to the high reactivity of the employed titanium precursors. The synthesis of COK-47 is now presented, the first Ti carboxylate MOF based on sheets of (TiO6)-O-IV octahedra, which can be synthesized with a range of different linkers. COK-47 can be synthesized as an inherently defective nanoparticulate material, rendering it a highly efficient catalyst for the oxidation of thiophenes. Its structure was determined by continuous rotation electron diffraction and studied in depth by X-ray total scattering, EXAFS, and solid-state NMR. Furthermore, its photoactivity was investigated by electron paramagnetic resonance and demonstrated by catalytic photodegradation of rhodamine 6G. |
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Wos |
000476691200034 |
Publication Date |
2019-05-06 |
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Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1433-7851; 0570-0833 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
97 |
Open Access |
Not_Open_Access |
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Notes |
; S.S., B.B., and D.E.D.V. gratefully acknowledge the FWO for funding (Aspirant grant, postdoctoral grant, project funding). T.W. acknowledges a grant from the Swedish research council (VR, 2014-06948). He acknowledges financial support from the Knut and Alice Wallenberg Foundation through the project grant 3DEM-NATUR (no. 2012.0112) as well as for purchasing the TEMs. A.K. and G.M. acknowledge the financial support from the Slovenian Research Agency (research core funding No. P1-0021 and project No. N1-0079). We thank beamline I15-1 (XPDF), Diamond Light Source, for collection of X-ray total scattering data as part of the in-house research program (M.T.W.). A. Venier and O. Mathon are kindly acknowledged for the help during the XAS experiment at BM23 beamline of ESRF. We thank C. Lamberti and L. Braglia for providing the reference EXAFS spectrum of anatase. ; |
Approved |
Most recent IF: 11.994 |
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Call Number |
UA @ admin @ c:irua:161932 |
Serial |
5382 |
Permanent link to this record |
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Author |
Smits, M.; Vanpachtenbeke, F.; Horemans, B.; De Wael, K.; Hauchecorne, B.; Van Langenhove, H.; Demeestere, K.; Lenaerts, S. |
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Title |
Effect of operating and sampling conditions on the exhaust gas composition of small-scale power generators |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
PLoS ONE |
Abbreviated Journal |
Plos One |
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Volume |
7 |
Issue |
3 |
Pages |
e32825-e32825,10 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Small stationary diesel engines, like in generator sets, have limited emission control measures and are therefore responsible for 44% of the particulate matter (PM) emissions in the United States. The diesel exhaust composition depends on operating conditions of the combustion engine. Furthermore, the measurements are influenced by the used sampling method. This study examines the effect of engine loading and exhaust gas dilution on the composition of small-scale power generators. These generators are used in different operating conditions than road-transport vehicles, resulting in different emission characteristics. Experimental data were obtained for gaseous volatile organic compounds (VOC) and PM mass concentration, elemental composition and nitrate content. The exhaust composition depends on load condition because of its effect on fuel consumption, engine wear and combustion temperature. Higher load conditions result in lower PM concentration and sharper edged particles with larger aerodynamic diameters. A positive correlation with load condition was found for K, Ca, Sr, Mn, Cu, Zn and Pb adsorbed on PM, elements that originate from lubricating oil or engine corrosion. The nitrate concentration decreases at higher load conditions, due to enhanced nitrate dissociation to gaseous NO at higher engine temperatures. Dilution on the other hand decreases PM and nitrate concentration and increases gaseous VOC and adsorbed metal content. In conclusion, these data show that operating and sampling conditions have a major effect on the exhaust gas composition of small-scale diesel generators. Therefore, care must be taken when designing new experiments or comparing literature results. |
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Wos |
000303836500012 |
Publication Date |
2012-03-19 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-6203 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.806 |
Times cited |
5 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.806; 2012 IF: 3.730 |
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Call Number |
UA @ admin @ c:irua:96545 |
Serial |
5581 |
Permanent link to this record |
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Author |
Smits, M.; Vanpachtenbeke, F.; Hauchecorne, B.; van Langenhove, H.; Demeestere, K.; Lenaerts, S. |
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Title |
Exhaust composition of a small diesel engine |
Type |
A2 Journal article |
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Year |
2012 |
Publication |
Communications in agricultural and applied biological sciences |
Abbreviated Journal |
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Volume |
77 |
Issue |
1 |
Pages |
85-88 |
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Keywords |
A2 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Edition |
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ISSN |
1379-1176 |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:94166 |
Serial |
5949 |
Permanent link to this record |
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Author |
Smits, M.; Tytgat, T.; Hauchecorne, B.; Lenaerts, S. |
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Title |
Development and validation of optical detection methods to screen photocatalytic materials for soot oxidation |
Type |
P3 Proceeding |
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Year |
2012 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
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Keywords |
P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Edition |
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ISSN |
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ISBN |
978-989-97667-4-7 |
Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:98814 |
Serial |
5941 |
Permanent link to this record |
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Author |
Smits, M.; Ling, Y.; Lenaerts, S.; Van Doorslaer, S. |
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Title |
Photocatalytic removal of soot : unravelling of the reaction mechanism by EPR and in situ FTIR spectroscopy |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
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Volume |
13 |
Issue |
18 |
Pages |
4251-4257 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Photocatalytic soot oxidation is studied on P25 TiO2 as an important model reaction for self-cleaning processes by means of electron paramagnetic resonance (EPR) and Fourier transform infrared (FTIR) spectroscopy. Contacting of carbon black with P25 leads on the one hand to a reduction of the local dioxygen concentration in the powder. On the other hand, the weakly adsorbed radicals on the carbon particles are likely to act as alternative traps for the photogenerated conduction-band electrons. We find furthermore that the presence of dioxygen and oxygen-related radicals is vital for the photocatalytic soot degradation. The complete oxidation of soot to CO2 is evidenced by in situ FTIR spectroscopy, no intermediate CO is detected during the photocatalytic process. |
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Wos |
000313692600026 |
Publication Date |
2012-11-13 |
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Series Editor |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
1439-4235 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.075 |
Times cited |
9 |
Open Access |
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Notes |
; This work was supported by the University of Antwerp (PhD grants of M. S. and Y.L.). We would like to thank Birger Hauchecorne for the scientific discussion. ; |
Approved |
Most recent IF: 3.075; 2012 IF: 3.349 |
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Call Number |
UA @ admin @ c:irua:104568 |
Serial |
5980 |
Permanent link to this record |
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Author |
Smits, M.; Huygh, D.; Craeye, B.; Lenaerts, S. |
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Title |
Effect of process parameters on the photocatalytic soot degradation on self-cleaning cementitious materials |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Catalysis today |
Abbreviated Journal |
Catal Today |
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Volume |
230 |
Issue |
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Pages |
250-255 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings (EMIB) |
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Abstract |
Soot deposition has the negative ability to devalue the aesthetic appearance of buildings. Titanium dioxide applied on the building material is one way to counteract this problem as it provides air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation was described, but until now, little information was available about the influence of process parameters on the photocatalytic degradation efficiency. The influence of three process parameters was tested in this study, namely TiO2 concentration, soot concentration and water-to-cement ratio (WIC-ratio) of the mortar substrates. The results revealed 50 mu gTiO(2) cm(-2) is better to use on the cementitious materials than 250 mu gTiO(2) cm(-2). The soot concentrations occurring in real-world situations will not inhibit the photocatalyst to be activated by light. Furthermore, the photonic efficiency increases slightly for lower WIC-ratios. This can be of interest for structural building applications, since a lower WIC-ratio results in a lower porosity of the samples and consequently in an increase in mortar strength. (C) 2013 Elsevier B.V. All rights reserved. |
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Wos |
000333800300039 |
Publication Date |
2013-10-31 |
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Edition |
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ISSN |
0920-5861 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.636 |
Times cited |
14 |
Open Access |
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Notes |
; This work was supported by a PhD grant (M. Smits) from the University of Antwerp. We would like to thank T. Tytgat for the scientific discussion and Evonik for delivering the materials used in the experiments. ; |
Approved |
Most recent IF: 4.636; 2014 IF: 3.893 |
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Call Number |
UA @ admin @ c:irua:117142 |
Serial |
5946 |
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Author |
Smits, M.; Chan, C. kit; Tytgat, T.; Craeye, B.; Costarramone, N.; Lacombe, S.; Lenaerts, S. |
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Title |
Photocatalytic degradation of soot deposition : self-cleaning effect on titanium dioxide coated cementitious materials |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
222 |
Issue |
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Pages |
411-418 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Diesel soot emissions deteriorate the appearance of architectural building materials by soot fouling. This soot deposition devalue the aesthetic value of the building. A solution to counteract this problem is applying titanium dioxide on building materials. TiO2 can provide air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation is observed on glass or silicon substrates. However, degradation of soot by photocatalysis was not yet investigated on cementitious samples (mortar, concrete) although it is one of the most frequently used building materials. In this study, photocatalytic soot oxidation by means of TiO2 coated cementitious samples is addressed. The soot removal capacity of four types of TiO2 layers, coated on mortar samples, is evaluated by means of two detection methods. The first method is based on colorimetric measurements, while the second method uses digital image processing to calculate the area of soot coverage. The experimental data revealed that cementitious materials coated with commercially available TiO2 exhibited self-cleaning properties as it was found that all coated samples were able to remove soot. The P25 coating gave the best soot degradation performance, while the Eoxolit product showed the slowest soot degradation rate. In addition, gas chromatography measurements in a closed chamber experiment with P25 confirmed that complete mineralization of about 60% of the soot was obtained within 24 hours since CO2 was the sole observed oxidation product. Due to its realistic approach, this study proves that photocatalytic soot removal on TiO2 coated cementitious surfaces is possible in practice, which is an important step towards the practical application of self-cleaning building materials. |
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Wos |
000319528900046 |
Publication Date |
2013-03-05 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
43 |
Open Access |
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Notes |
; This work was supported by a PhD grant (M. Smits) from the University of Antwerp, a PhD grant (T. Tytgat) funded by the Institute of Innovation by Science and Technology in Flanders (IWT) and the exchange program Tournesol (Project T2012.05) financed by the Flemish government. ; |
Approved |
Most recent IF: 6.216; 2013 IF: 4.058 |
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Call Number |
UA @ admin @ c:irua:106519 |
Serial |
5979 |
Permanent link to this record |