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Author |
Khalilov, U.; Bogaerts, A.; Hussain, S.; Kovacevic, E.; Brault, P.; Boulmer-Leborgne, C.; Neyts, E.C. |
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Title |
Nanoscale mechanisms of CNT growth and etching in plasma environment |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume  |
50 |
Issue |
50 |
Pages |
184001 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma-enhanced chemical deposition (PECVD) of carbon nanotubes has already been shown to allow chirality control to some extent. In PECVD, however, etching may occur simultaneously with the growth, and the occurrence of intermediate processes further significantly complicates the growth process.
We here employ a computational approach with experimental support to study the plasma-based formation of Ni nanoclusters, Ni-catalyzed CNT growth and subsequent etching processes, in order to understand the underpinning nanoscale mechanisms. We find that hydrogen is the dominant factor in both the re-structuring of a Ni film and the subsequent appearance of Ni nanoclusters, as well as in the CNT nucleation and etching processes. The obtained results are compared with available theoretical and experimental studies and provide a deeper understanding of the occurring nanoscale mechanisms in plasma-assisted CNT nucleation and growth. |
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Wos |
000398300900001 |
Publication Date |
2017-04-03 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
6 |
Open Access |
OpenAccess |
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Notes |
UK gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), Belgium (Grant No. 12M1315N). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. The authors also thank Prof A C T van Duin for sharing the ReaxFF code. |
Approved |
Most recent IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @ c:irua:141918 |
Serial |
4533 |
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Author |
Khalilov, U.; Bogaerts, A.; Neyts, E.C. |
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Title |
Toward the Understanding of Selective Si Nano-Oxidation by Atomic Scale Simulations |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Accounts of chemical research |
Abbreviated Journal |
Accounts Chem Res |
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Volume |
50 |
Issue |
50 |
Pages |
796-804 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The continuous miniaturization of nanodevices, such as transistors, solar cells, and optical fibers, requires the controlled synthesis of (ultra)thin gate oxides (<10 nm), including Si gate-oxide (SiO2) with high quality at the atomic scale. Traditional thermal growth of SiO2 on planar Si surfaces, however, does not allow one to obtain such ultrathin oxide due to either the high oxygen diffusivity at high temperature or the very low sticking ability of incident oxygen at low temperature. Two recent techniques, both operative at low (room) temperature, have been put forward to overcome these obstacles: (i) hyperthermal oxidation of planar Si surfaces and (ii) thermal or plasma-assisted oxidation of nonplanar Si surfaces, including Si nanowires (SiNWs). These nanooxidation processes are, however, often difficult to study experimentally, due to the key intermediate processes taking place on the nanosecond time scale.
In this Account, these Si nano-oxidation techniques are discussed from a computational point of view and compared to both hyperthermal and thermal oxidation experiments, as well as to well-known models of thermal oxidation, including the Deal−Grove, Cabrera−Mott, and Kao models and several alternative mechanisms. In our studies, we use reactive molecular dynamics (MD) and hybrid MD/Monte Carlo simulation techniques, applying the Reax force field. The incident energy of oxygen species is chosen in the range of 1−5 eV in hyperthermal oxidation of planar Si surfaces in order to prevent energy-induced damage. It turns out that hyperthermal growth allows for two growth modes, where the ultrathin oxide thickness depends on either (1) only the kinetic energy of the incident oxygen species at a growth temperature below Ttrans = 600 K, or (2) both the incident energy and the growth temperature at a growth temperature above Ttrans. These modes are specific to such ultrathin oxides, and are not observed in traditional thermal oxidation, nor theoretically considered by already existing models. In the case of thermal or plasma-assisted oxidation of small Si nanowires, on the other hand, the thickness of the ultrathin oxide is a function of the growth temperature and the nanowire diameter. Below Ttrans, which varies with the nanowire diameter, partially oxidized SiNW are formed, whereas complete oxidation to a SiO2 nanowire occurs only above Ttrans. In both nano-oxidation processes at lower temperature (T < Ttrans), final sandwich c-Si|SiOx|a-SiO2 structures are obtained due to a competition between overcoming the energy barrier to penetrate into Si subsurface layers and the compressive stress (∼2−3 GPa) at the Si crystal/oxide interface. The overall atomic-simulation results strongly indicate that the thickness of the intermediate SiOx (x < 2) region is very limited (∼0.5 nm) and constant irrespective of oxidation parameters. Thus, control over the ultrathin SiO2 thickness with good quality is indeed possible by accurately tuning the oxidant energy, oxidation temperature and surface curvature.
In general, we discuss and put in perspective these two oxidation mechanisms for obtaining controllable ultrathin gate-oxide films, offering a new route toward the fabrication of nanodevices via selective nano-oxidation. |
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Wos |
000399859800016 |
Publication Date |
2017-04-18 |
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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 |
0001-4842 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
20.268 |
Times cited |
5 |
Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, 12M1315N ; |
Approved |
Most recent IF: 20.268 |
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Call Number |
PLASMANT @ plasmant @ c:irua:142638 |
Serial |
4561 |
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Author |
Adamovich, I.; Baalrud, S.D.; Bogaerts, A.; Bruggeman, P.J.; Cappelli, M.; Colombo, V.; Czarnetzki, U.; Ebert, U.; Eden, J.G.; Favia, P.; Graves, D.B.; Hamaguchi, S.; Hieftje, G.; Hori, M.; Kaganovich, I.D.; Kortshagen, U.; Kushner, M.J.; Mason, N.J.; Mazouffre, S.; Thagard, S.M.; Metelmann, H.-R.; Mizuno, A.; Moreau, E.; Murphy, A.B.; Niemira, B.A.; Oehrlein, G.S.; Petrovic, Z.L.; Pitchford, L.C.; Pu, Y.-K.; Rauf, S.; Sakai, O.; Samukawa, S.; Starikovskaia, S.; Tennyson, J.; Terashima, K.; Turner, M.M.; van de Sanden, M.C.M.; Vardelle, A. |
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Title |
The 2017 Plasma Roadmap: Low temperature plasma science and technology |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
50 |
Issue |
50 |
Pages |
323001 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Journal of Physics D: Applied Physics published the first Plasma Roadmap in 2012
consisting of the individual perspectives of 16 leading experts in the various sub-fields of low temperature plasma science and technology. The 2017 Plasma Roadmap is the first update of a planned series of periodic updates of the Plasma Roadmap. The continuously growing interdisciplinary nature of the low temperature plasma field and its equally broad range of applications are making it increasingly difficult to identify major challenges that encompass all of the many sub-fields and applications. This intellectual diversity is ultimately a strength of the field. The current state of the art for the 19 sub-fields addressed in this roadmap demonstrates the enviable track record of the low temperature plasma field in the development of plasmas as an enabling technology for a vast range of technologies that underpin our modern society. At the same time, the many important scientific and technological challenges shared in this roadmap show that the path forward is not only scientifically rich but has the potential to make wide and far reaching contributions to many societal challenges. |
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Wos |
000405553800001 |
Publication Date |
2017-07-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
246 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @ c:irua:144626 |
Serial |
4629 |
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Author |
Kong, L.; Wang, W.; Murphy, A.B.; Xia, G. |
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Title |
Numerical analysis of direct-current microdischarge for space propulsion applications using the particle-in-cell/Monte Carlo collision (PIC/MCC) method |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
50 |
Issue |
16 |
Pages |
165203 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Microdischarges are an important type of plasma discharge that possess several unique characteristics, such as the presence of a stable glow discharge, high plasma density and intense excimer radiation, leading to several potential applications. The intense and controllable gas heating within the extremely small dimensions of microdischarges has been exploited in microthruster technologies by incorporating a micro-nozzle to generate the thrust. This kind of microthruster has a significantly improved specific impulse performance compared to conventional cold gas thrusters, and can meet the requirements arising from the emerging development and application of micro-spacecraft. In this paper, we performed a self-consistent 2D particle-in-cell simulation, with a Monte Carlo collision model, of a microdischarge operating in a prototype micro-plasma thruster with a hollow cylinder geometry and a divergent micro-nozzle. The model takes into account the thermionic electron emission including the Schottky effect, the secondary electron emission due to cathode bombardment by the plasma ions, several different collision processes, and a non-uniform argon background gas density in the cathode-anode gap. Results in the high-pressure (several hundreds of Torr), high-current (mA) operating regime showing the behavior of the plasma density, potential distribution, and energy flux towards the hollow cathode and anode are presented and discussed. In addition, the results of simulations showing the effect of different argon gas pressures, cathode material work function and discharge voltage on the operation of the microdischarge thruster are presented. Our calculated properties are compared with experimental data under similar conditions and qualitative and quantitative agreements are reached. |
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Place of Publication |
London |
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Wos |
000398856300001 |
Publication Date |
2017-02-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
8 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.588 |
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Call Number |
UA @ lucian @ c:irua:143642 |
Serial |
4674 |
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Author |
Wang, W.; Kong, L.; Geng, J.; Wei, F.; Xia, G. |
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Title |
Wall ablation of heated compound-materials into non-equilibrium discharge plasmas |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
50 |
Issue |
7 |
Pages |
074005 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The discharge properties of the plasma bulk flow near the surface of heated compound-materials strongly affects the kinetic layer parameters modeled and manifested in the Knudsen layer. This paper extends the widely used two-layer kinetic ablation model to the ablation controlled non-equilibrium discharge due to the fact that the local thermodynamic equilibrium (LTE) approximation is often violated as a result of the interaction between the plasma and solid walls. Modifications to the governing set of equations, to account for this effect, are derived and presented by assuming that the temperature of the electrons deviates from that of the heavy particles. The ablation characteristics of one typical material, polytetrafluoroethylene (PTFE) are calculated with this improved model. The internal degrees of freedom as well as the average particle mass and specific heat ratio of the polyatomic vapor, which strongly depends on the temperature, pressure and plasma non-equilibrium degree and plays a crucial role in the accurate determination of the ablation behavior by this model, are also taken into account. Our assessment showed the significance of including such modifications related to the non-equilibrium effect in the study of vaporization of heated compound materials in ablation controlled arcs. Additionally, a two-temperature magneto-hydrodynamic (MHD) model accounting for the thermal non-equilibrium occurring near the wall surface is developed and applied into an ablation-dominated discharge for an electro-thermal chemical launch device. Special attention is paid to the interaction between the non-equilibrium plasma and the solid propellant surface. Both the mass exchange process caused by the wall ablation and plasma species deposition as well as the associated momentum and energy exchange processes are taken into account. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The non-equilibrium results show a non-equilibrium region near the plasma-wall interaction region and this indicates the need for the consideration of the influence of the possible departure from LTE in the plasma bulk on the determination of ablation rate. |
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Place of Publication |
London |
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Wos |
000394097200001 |
Publication Date |
2017-01-24 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
19 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.588 |
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Call Number |
UA @ lucian @ c:irua:141965 |
Serial |
4702 |
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Author |
Wang, H.; Wang, W.; Yan, J.D.; Qi, H.; Geng, J.; Wu, Y. |
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Title |
Thermodynamic properties and transport coefficients of a two-temperature polytetrafluoroethylene vapor plasma for ablation-controlled discharge applications |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
50 |
Issue |
39 |
Pages |
395204 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Ablation-controlled plasmas have been used in a range of technical applications where local thermodynamic equilibrium (LTE) is often violated near the wall due to the strong cooling effect caused by the ablation of wall materials. The thermodynamic and transport properties of ablated polytetrafluoroethylene (PTFE) vapor, which determine the flowing plasma behavior in such applications, are calculated based on a two-temperature model at atmospheric pressure. To our knowledge, no data for PTFE have been reported in the literature. The species composition and thermodynamic properties are numerically determined using the two-temperature Saha equation and the Guldberg-Waage equation according to van de Sanden et al's derivation. The transport coefficients, including viscosity, thermal conductivity and electrical conductivity, are calculated with the most recent collision interaction potentials using Devoto's electron and heavy-particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) in the frame of the Chapman-Enskog method. Results are computed for different degrees of thermal non-equilibrium, i.e. the ratio of electron to heavy-particle temperatures, from 1 to 10, with electron temperature ranging from 300 to 40 000 K. Plasma transport properties in the LTE state obtained from the present work are compared with existing published results and the causes for the discrepancy analyzed. The two-temperature plasma properties calculated in the present work enable the modeling of wall ablation-controlled plasma processes. |
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Place of Publication |
London |
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Wos |
000410390100001 |
Publication Date |
2017-07-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.588 |
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Call Number |
UA @ lucian @ c:irua:145603 |
Serial |
4754 |
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Author |
Tomasi, N.; Mimmo, T.; Terzano, R.; Alfeld, M.; Janssens, K.; Zanin, L.; Pinton, R.; Varanini, Z.; Cesco, S. |
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Title |
Nutrient accumulation in leaves of Fe-deficient cucumber plants treated with natural Fe complexes |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Biology and fertility of soils |
Abbreviated Journal |
Biol Fert Soils |
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Volume |
50 |
Issue |
6 |
Pages |
973-982 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Plants mainly rely on a mixture of Fe complexes with different organic ligands, like carboxylates and soluble fractions of water-extractable humic substances (WEHSs), to sustain the supply of this micronutrient. It has been demonstrated that the Fe-WEHS complex is more efficiently acquired by plant roots as it enhances functionality of the mechanisms involved in Fe acquisition at the root and leaf levels, allowing a faster recovery of the Fe-deficiency symptoms. The aim of this work is to verify whether this recovery involves also the allocation and accumulation of nutrients other than Fe to and within the leaf tissues. Iron-deficient plants treated with Fe-WEHS recovered more quickly the functionality both to uptake nitrate at the root level and to fixate CO2 in the leaves than those supplied with Fe-citrate. Concomitantly, Fe-WEHS-treated plants also accumulated other cationic nutrients faster and at a higher extent. Synchrotron 2D-scanning μ-X-ray fluorescence analyses of the leaves revealed that the recovery promotes a change in the allocation of these nutrients from the vascular system (K, Cu, and Zn) or trichomes (Ca and Mn) to the entire leaf blade. Fe-WEHS treatment efficiently promotes the recovery from Fe-deficiency-induced chlorosis with an enhanced allocation of other nutrients into the leaves and promoting their distribution into the entire leaf blade. |
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Wos |
000339880800010 |
Publication Date |
2014-04-24 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0178-2762 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.683 |
Times cited |
25 |
Open Access |
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Notes |
; Research was supported by grants from Italian MIUR (FIRB-Programma “Futuro in Ricerca”) and Free University of Bolzano (TN5056). Synchrotron experiments at HASYLAB were financially supported by the European Community-Research Infrastructure Action under the FP6 “Structuring the European Research Area” Program I (Integrating Activity on Synchrotron and Free Electron Laser Science; project: contract RII3-CT-2004-506008). The authors acknowledge support from the Hercules fund, Brussels (grant A11/0387), and from FWO (Brussels) via grant G.0C12.13. ; |
Approved |
Most recent IF: 3.683; 2014 IF: 3.398 |
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Call Number |
UA @ admin @ c:irua:116597 |
Serial |
5753 |
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Author |
Goemans, M.; Clarysse, P.; Joannès, J.; de Clercq, P.; Lenaerts, S.; Matthys, K.; Boels, K. |
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Title |
Catalytic Nox reduction with simultaneous dioxin and furan oxidation |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Chemosphere |
Abbreviated Journal |
Chemosphere |
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Volume |
50 |
Issue |
4 |
Pages |
489-497 |
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Keywords |
A1 Journal article |
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Abstract |
The engineering, construction, performance and running costs of a catalytic flue gas cleaning component in the low dust area of a municipal waste incinerator is discussed. For this purpose, the case study of a Flemish incineration plant is presented, covering the history, the design procedure of the catalyst, relevant process data and the financial aspects. A reliable PCDD/F-destruction by means of oxidation by the catalyst to typical values of 0.001 ng TEQ/N m3 has been demonstrated. At the same time, NOx- and CO-emissions are reduced by 90% and 20% to about 50 mg/N m3 and below 10 mg/N m3, respectively. |
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Wos |
000180078200004 |
Publication Date |
2002-12-10 |
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Abbreviated Series Title |
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Series Volume |
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Edition |
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ISSN |
0045-6535; 1879-1298 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
4.208 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4.208; 2003 IF: 1.904 |
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Call Number |
UA @ admin @ c:irua:82010 |
Serial |
5932 |
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Author |
Van Eynde, E.; Lenaerts, B.; Tytgat, T.; Blust, R.; Lenaerts, S. |
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Title |
Valorization of flue gas by combining photocatalytic gas pretreatment with microalgae production |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Environmental science and technology |
Abbreviated Journal |
Environ Sci Technol |
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Volume |
50 |
Issue |
5 |
Pages |
2538-2545 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Utilization of flue gas for algae cultivation seems to be a promising route because flue gas from fossil-fuel combustion processes contains the high amounts of carbon (CO2) and nitrogen (NO) that are required for algae growth. NO is a poor nitrogen source for algae cultivation because of its low reactivity and solubility in water and its toxicity for algae at high concentrations. Here, we present a novel strategy to valorize NO from flue gas as feedstock for algae production by combining a photocatalytic gas pretreatment unit with a microalgal photobioreactor. The photocatalytic air pretreatment transforms NO gas into NO2 gas and thereby enhances the absorption of NO in the cultivation broth. The absorbed NOx will form NO2- and NO3- that can be used as a nitrogen source by algae. The effect of photocatalytic air pretreatment on the growth and biomass productivity of the algae Thalassiosira weissflogii in a semicontinuous system aerated with a model flue gas (1% CO2 and 50 ppm of NO) is investigated during a long-term experiment. The integrated system makes it possible to produce algae with NO from flue gas as the sole nitrogen source and reduces the NOx content in the exhaust gas by 84%. |
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Wos |
000371371700048 |
Publication Date |
2016-02-03 |
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ISSN |
0013-936x; 1520-5851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.198 |
Times cited |
6 |
Open Access |
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| |
Notes |
; ; |
Approved |
Most recent IF: 6.198 |
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| |
Call Number |
UA @ admin @ c:irua:132348 |
Serial |
6003 |
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| Permanent link to this record |
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Author |
Duarte, M.; Daems, N.; Hereijgers, J.; Arenas Esteban, D.; Bals, S.; Breugelmans, T. |
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| |
Title |
Enhanced CO2 electroreduction with metal-nitrogen-doped carbons in a continuous flow reactor |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of Co2 Utilization |
Abbreviated Journal |
J Co2 Util |
|
| |
Volume |
50 |
Issue |
|
Pages |
101583-12 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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| |
Abstract |
As part of a mitigation and adaptation approach to increasing carbon dioxide atmospheric concentrations, we report superior performance of various metal-nitrogen-doped carbon catalysts, synthesized using an easily up-scalable method, for the electrochemical reduction to carbon monoxide and/or formate at industrially relevant current densities up to 200 mAcm−2. Altering the embedded transition metal (i.e. Sn, Co, Fe, Mn and Ni) allowed to tune the selectivity towards the desired product. Mn-N-C and Fe-N-C performance was compromised by its high CO* binding energy, while Co-N-C catalyzed preferentially the HER. Ni-N-C and Sn-N-C revealed to be promising electrocatalysts, the latter being evaluated for the first time in a flow reactor. A productivity of 589 L CO m-2 h-1 at -1.39 VRHE with Ni-N-C and 751 g HCOO- m-2 h-1 at -1.47 VRHE with Sn-N-C was achieved with no signs of degradation detected after 24 h of operation at industrially relevant current densities (100 mAcm−2). Stable operation at 200 mAcm−2 led to turnover frequencies for the production of carbon products of up to 5176 h-1. These enhanced productivities, in combination with high stability, constitute an essential step towards the scalability and ultimately towards the economical valorization of CO2 electrolyzers using metal-containing nitrogen-doped catalysts. |
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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 |
000670316000002 |
Publication Date |
2021-05-28 |
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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 |
2212-9820 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.292 |
Times cited |
14 |
Open Access |
OpenAccess |
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| |
Notes |
The authors acknowledge sponsoring from the Research Foundation – Flanders (FWO) in the frame of a post-doctoral grant (12Y3919N – ND). This project was co-funded by the Interreg 2 Seas-Program 2014-2020, co-financed by the European Fund for Regional Development in the frame of subsidiary contract nr. 2S03-019. This work was further performed in the framework of the Catalisti MOT project D2M (“Dioxide to Monoxide (D2M): Innovative catalysis for CO2 to CO conversion”). We thank Lien Pacquets for analyzing the samples with SEM-EDX, Saskia Defoss´e for helping with the N2 physisorption measurements and Kitty Baert (VUB) for analyzing the samples with XPS and Raman. |
Approved |
Most recent IF: 4.292 |
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| |
Call Number |
UA @ admin @ c:irua:178151 |
Serial |
6779 |
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| Permanent link to this record |
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Author |
Mallick, S.; Khalsa, G.; Kaaret, J.Z.; Zhang, W.; Batuk, M.; Gibbs, A.S.; Hadermann, J.; Halasyamani, P.S.; Benedek, N.A.; Hayward, M.A. |
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Title |
The influence of the 6s² configuration of Bi³+ on the structures of A ' BiNb₂O₇ (A ' = Rb, Na, Li) layered perovskite oxides |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
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|
| |
Volume |
50 |
Issue |
42 |
Pages |
15359-15369 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Solid state compounds which exhibit non-centrosymmetric crystal structures are of great interest due to the physical properties they can exhibit. The 'hybrid improper' mechanism – in which two non-polar distortion modes couple to, and stabilize, a further polar distortion mode, yielding an acentric crystal structure – offers opportunities to prepare a range of novel non-centrosymmetric solids, but examples of compounds exhibiting acentric crystal structures stabilized by this mechanism are still relatively rare. Here we describe a series of bismuth-containing layered perovskite oxide phases, RbBiNb2O7, LiBiNb2O7 and NaBiNb2O7, which have structural frameworks compatible with hybrid-improper ferroelectricity, but also contain Bi3+ cations which are often observed to stabilize acentric crystal structures due to their 6s(2) electronic configurations. Neutron powder diffraction analysis reveals that RbBiNb2O7 and LiBiNb2O7 adopt polar crystal structures (space groups I2cm and B2cm respectively), compatible with stabilization by a trilinear coupling of non-polar and polar modes. The Bi3+ cations present are observed to enhance the magnitude of the polar distortions of these phases, but are not the primary driver for the acentric structure, as evidenced by the observation that replacing the Bi3+ cations with Nd3+ cations does not change the structural symmetry of the compounds. In contrast the non-centrosymmetric, but non-polar structure of NaBiNb2O7 (space group P2(1)2(1)2(1)) differs significantly from the centrosymmetric structure of NaNdNb2O7, which is attributed to a second-order Jahn-Teller distortion associated with the presence of the Bi3+ cations. |
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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 |
000706651100001 |
Publication Date |
2021-10-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1477-9234 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:182584 |
Serial |
6893 |
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| Permanent link to this record |
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Author |
Meerburg, F.A.; Boon, N.; Van Winckel, T.; Pauwels, K.T.G.; Vlaeminck, S.E. |
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Title |
Live Fast, Die Young: Optimizing Retention Times in High-Rate Contact Stabilization for Maximal Recovery of Organics from Wastewater |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Environmental science and technology |
Abbreviated Journal |
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| |
Volume |
50 |
Issue |
17 |
Pages |
9781-9790 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Wastewater is typically treated by the conventional activated sludge process, which suffers from an inefficient overall energy balance. The high-rate contact stabilization (HiCS) has been proposed as a promising primary treatment technology with which to maximize redirection of organics to sludge for subsequent energy recovery. It utilizes a feast famine cycle to select for bioflocculation, intracellular storage, or both. We optimized the HiCS process for organics recovery and characterized different biological pathways of organics removal and recovery. A total of eight HiCS reactors were operated at 15 degrees C at short solids retention times (SRT; 0.24-2.8 days), hydraulic contact times (t(c); 8 and 15 min), and stabilization times (t(s); 15 and 40 min). At an optimal SRT between 0.5 and 1.3 days and t(c) of 15 min and t(s) of 40 min, the HiCS system oxidized only 10% of influent chemical oxygen demand (COD) and recovered up to 55% of incoming organic matter into sludge. Storage played a minor role in the overall COD removal, which was likely dominated by aerobic biomass growth, bioflocculation onto extracellular polymeric substances, and settling. The HiCS process recovers enough organics to potentially produce 28 kWh of electricity per population equivalent per year by anaerobic digestion and electricity generation. This inspires new possibilities for energy-neutral wastewater treatment. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000382805800097 |
Publication Date |
2016-08-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0013-936x; 1520-5851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:138270 |
Serial |
8176 |
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| Permanent link to this record |
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Author |
Agrawal, S.; Seuntjens, D.; De Cocker, P.; Lackner, S.; Vlaeminck, S.E. |
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Title |
Success of mainstream partial nitritation/anammox demands integration of engineering, microbiome and modeling insights |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Current opinion in biotechnology |
Abbreviated Journal |
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| |
Volume |
50 |
Issue |
|
Pages |
214-221 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Twenty years ago, mainstream partial nitritation/anammox (PN/A) was conceptually proposed as pivotal for a more sustainable treatment of municipal wastewater. Its economic potential spurred research, yet practice awaits a comprehensive recipe for microbial resource management. Implementing mainstream PN/A requires transferable and operable ways to steer microbial competition as to meet discharge requirements on a year-round basis at satisfactory conversion rates. In essence, the competition for nitrogen, organic carbon and oxygen is grouped into ON/OFF (suppression/promotion) and IN/OUT (wash-out/retention and seeding) strategies, selecting for desirable conversions and microbes. Some insights need mechanistic understanding, while empirical observations suffice elsewhere. The provided methodological R&D framework integrates insights in engineering, microbiome and modeling. Such synergism should catalyze the implementation of energy-positive sewage treatment. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000430903400028 |
Publication Date |
2018-02-17 |
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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 |
0958-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
|
Approved |
no |
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Call Number |
UA @ admin @ c:irua:149977 |
Serial |
8616 |
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| Permanent link to this record |
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Author |
Tarakanova, E.N.; Tarakanov, P.A.; Simakov, A.O.; Furuyama, T.; Kobayashi, N.; Konev, D.V.; Goncharova, O.A.; Trashin, S.A.; De Wael, K.; Sulimenkov, I.V.; Filatov, V.V.; Kozlovskiy, V.I.; Tomilova, L.G.; Stuzhin, P.A.; Pushkarev, V.E. |
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Title |
Synthesis and characterization of heteroleptic rare earth double-decker complexes involving tetradiazepinoporphyrazine and phthalocyanine macrocycles |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Dalton Transactions |
Abbreviated Journal |
Dalton T |
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Volume |
50 |
Issue |
18 |
Pages |
6245-6255 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Reaction of (2,3,9,10,16,17,23,24-octabutylphthalocyaninato)lanthanide(iii) acetylacetonates ((Bu)PcLn(acac), 1a-c, Ln = Lu (a), Eu (b), La (c)) with a tetrakis(5,7-bis(4-tert-butylphenyl)-6H-1,4-diazepino)[2,3-b,g,l,q]porphyrazine ligand ((tBuPh)DzPzH(2), 2) produced sandwich compounds ((tBuPh)DzPz)Ln(Pc-Bu) (3a-c), which represent the first heteroleptic double-deckers incorporating both Pc and DzPz decks. A combination of high-resolution mass spectrometry, UV-Vis/NIR, MCD, and H-1 NMR spectroscopy, and square-wave voltammetry provided unambiguous characterization of target complexes 3 indicating that their spectral and electrochemical properties are generally intermediate with respect to their homoleptic relatives. Based on the data of solution-state H-1-H-1 NMR (COSY, NOESY) correlation spectroscopy supported by DFT calculations, a dimerization tendency of compounds 3 proportional to the Ln(iii) ion size was found. The spectroelectrochemical study of 3 and the corresponding homoleptic double-deckers revealed a pronounced tendency to aggregation of the one-electron oxidized forms of DzPz-containing double-decker complexes compared to homoleptic Pc(2)Ln 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 |
000641283000001 |
Publication Date |
2021-04-01 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1477-9226; 1477-9234 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.029 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: 4.029 |
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| |
Call Number |
UA @ admin @ c:irua:178289 |
Serial |
8636 |
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| Permanent link to this record |
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Author |
Van Tendeloo, L.; Wangermez, W.; Kurttepeli, M.; de Blochouse, B.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; Maes, A.; Kirschhock, C.E.A.; Breynaert, E. |
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Title |
Chabazite : stable cation-exchanger in hyper alkaline concrete pore water |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Environmental science and technology |
Abbreviated Journal |
Environ Sci Technol |
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Volume |
49 |
Issue |
49 |
Pages |
2358-2365 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
To avoid impact on the environment, facilities for permanent disposal of hazardous waste adopt multibarrier design schemes. As the primary barrier very often consists of cement-based materials, two distinct aspects are essential for the selection of suitable complementary barriers: (1) selective sorption of the contaminants in the repository and (2) long-term chemical stability in hyperalkaline concrete-derived media. A multidisciplinary approach combining experimental strategies from environmental chemistry and materials science is therefore essential to provide a reliable assessment of potential candidate materials. Chabazite is typically synthesized in 1 M KOH solutions but also crystallizes in simulated young cement pore water, a pH 13 aqueous solution mainly containing K+ and Na+ cations. Its formation and stability in this medium was evaluated as a function of temperature (60 and 85 °C) over a timeframe of more than 2 years and was also asessed from a mechanistic point of view. Chabazite demonstrates excellent cation-exchange properties in simulated young cement pore water. Comparison of its Cs+ cation exchange properties at pH 8 and pH 13 unexpectedly demonstrated an increase of the KD with increasing pH. The combined results identify chabazite as a valid candidate for inclusion in engineered barriers for concrete-based waste disposal. |
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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 |
Easton, Pa |
Editor |
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Language |
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Wos |
000349806400047 |
Publication Date |
2015-01-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0013-936X;1520-5851; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.198 |
Times cited |
13 |
Open Access |
OpenAccess |
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| |
Notes |
This work was supported by long-term structural funding by the Flemish Government (Methusalem) and by ONDRAF/ NIRAS, the Belgian Agency for Radioactive Waste and Fissile Materials, as part of the program on surface disposal of Belgian Category A waste. The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI). G.V.T. and S.B. acknowledge financial support from European Research Council (ERC Advanced Grant no. 24691-COUNTATOMS, ERC Starting Grant no. 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 6.198; 2015 IF: 5.330 |
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Call Number |
c:irua:127695 |
Serial |
307 |
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| Permanent link to this record |
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Author |
Tikhomirov, A.S.; Sorokina, N.E.; Shornikova, O.N.; Morozov, V.A.; Van Tendeloo, G.; Avdeev, V.V. |
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Title |
The chemical vapor infiltration of exfoliated graphite to produce carbon/carbon composites |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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| |
Volume |
49 |
Issue |
1 |
Pages |
147-153 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Chemical vapor infiltration was used for the production of carbon/carbon composites based on exfoliated graphite and pyrolytic carbon Two different exfoliated graphites compacted to densities of 0 05-0 4 g/cm(3) were used as a preform The influence of the synthesis conditions (temperature, pressure, time etc) on the degree of infiltration, the pyrolytic carbon morphology and the C/C composite characteristics was examined using Raman spectroscopy, scanning electron microscopy and low-temperature nitrogen adsorption (C) 2010 Elsevier Ltd All rights reserved |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
|
Wos |
000284977500021 |
Publication Date |
2010-09-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.337 |
Times cited |
7 |
Open Access |
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| |
Notes |
Iap |
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
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| |
Call Number |
UA @ lucian @ c:irua:99185 |
Serial |
354 |
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| Permanent link to this record |
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Author |
King, G.; Abakumov, A.M.; Hadermann, J.; Alekseeva, A.M.; Rozova, M.G.; Perkisas, T.; Woodward, P.M.; Van Tendeloo, G.; Antipov, E.V. |
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Title |
Crystal structure and phase transitions in Sr3WO6 |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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| |
Volume |
49 |
Issue |
13 |
Pages |
6058-6065 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The crystal structures of the beta and gamma polymorphs of Sr3WO6 and the gamma <->beta phase transition have been investigated using electron diffraction, synchrotron X-ray powder diffraction, and neutron powder diffraction. The gamma-Sr3WO6 polymorph is stable above T-c approximate to 470 K and adopts a monoclinically distorted double perovskite A(2)BB'O-6= Sr2SrWO6 structure (space group Cc, a = 10.2363(1)angstrom, b= 17.9007(1)angstrom, c= 11.9717(1)angstrom, beta=125.585(1)degrees at T= 1373 K, Z=12, corresponding to a = a(p)+1/2b(p) – 1/2c(p), b =3/2b(p) + 3/2c(p), c =-b(p) + c(p), a(p),b(p), c(p), lattice vectors of the parent Fm (3) over barm double perovskite structure). Upon cooling it undergoes a continuous phase transition into the triclinically distorted beta-Sr3WO6 phase (space group Cl, a = 10.09497(3)angstrom, b = 17.64748(5)angstrom, c = 11.81400(3)angstrom, alpha = 89.5470(2)degrees, beta= 125.4529(2)degrees, gamma =90.2889(2)degrees at T= 300 K). Both crystal structures of Sr3WO6 belong to a family of double perovskites with broken corner sharing connectivity of the octahedral framework. A remarkable feature of the gamma-Sr3WO6 structure is a non-cooperative rotation of the WO6 octahedra. One third of the WO6 octahedra are rotated by 45 about either the bp or the cp axis of the parent double perovskite structure. As a result, the WO6 octahedra do not share corners but instead share edges with the coordination polyhedra of the Sr cations at the B positions increasing their coordination number from 6 to 7 or 8. The crystal structure of the beta-phase is very close to the structure of the gamma-phase; decreasing symmetry upon the gamma ->beta transformation occurs because of unequal octahedral rotation angles about the bp and cp axes and increasing distortions of the WO6 octahedra. |
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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 |
Easton, Pa |
Editor |
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Language |
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Wos |
000279211500036 |
Publication Date |
2010-06-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.857 |
Times cited |
18 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 4.857; 2010 IF: 4.326 |
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| |
Call Number |
UA @ lucian @ c:irua:83877 |
Serial |
562 |
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| Permanent link to this record |
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Author |
Neyts, E.; Maeyens, A.; Pourtois, G.; Bogaerts, A. |
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Title |
A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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| |
Volume |
49 |
Issue |
3 |
Pages |
1013-1017 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Using self-consistent KohnSham density-functional theory molecular dynamics simulations, we demonstrate the theoretical possibility to synthesize NiC60, the incarfullerene Ni@C60 and the heterofullerene C59Ni in an ion implantation setup. The corresponding formation mechanisms of all three complexes are elucidated as a function of the ion implantation energy and impact location, suggesting possible routes for selectively synthesizing these complexes. |
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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 |
000286683500032 |
Publication Date |
2010-11-14 |
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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 |
0008-6223; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.337 |
Times cited |
13 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
|
| |
Call Number |
UA @ lucian @ c:irua:85139 |
Serial |
639 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Luyten, W.; Krekels, T.; Amelinckx, S.; Van Tendeloo, G.; van Dyck, D.; van Landuyt, J. |
|
| |
Title |
Electron diffraction effects of conical, helically wound, graphite whiskers |
Type |
A1 Journal article |
| |
Year |
1993 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
| |
Volume |
49 |
Issue |
|
Pages |
123-131 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
| |
Language |
|
Wos |
A1993KV56700014 |
Publication Date |
2002-10-18 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.436 |
Times cited |
14 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:6784 |
Serial |
917 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Berg, L.K.; Gjønnes, J.; Hansen, V.; Li, X.Z.; Knutson-Wedel, M.; Waterloo, G.; Schryvers, D.; Wallenberg, L.R. |
|
| |
Title |
GP-zones in Al-Zn-Mg alloys and their role in artificial aging |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
|
| |
Volume |
49 |
Issue |
|
Pages |
3443-3451 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
|
| |
Language |
|
Wos |
000171445700006 |
Publication Date |
2002-07-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1359-6454; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.301 |
Times cited |
261 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 5.301; 2001 IF: 2.658 |
|
| |
Call Number |
UA @ lucian @ c:irua:48363 |
Serial |
1361 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J. |
|
| |
Title |
Graphene textures: tubules and whiskers related to fullerene crystallography |
Type |
A1 Journal article |
| |
Year |
1993 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
|
| |
Volume |
49 |
Issue |
|
Pages |
355 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Copenhagen |
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0108-7673 |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
2.307 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:6842 |
Serial |
1378 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Kalidindi, S.B.; Wiktor, C.; Ramakrishnan, A.; Weßing, J.; Schneemann, A.; Van Tendeloo, G.; Fischer, R.A. |
|
| |
Title |
Lewis base mediated efficient synthesis and solvation-like host-guest chemistry of covalent organic framework-1 |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
|
| |
Volume |
49 |
Issue |
5 |
Pages |
463-465 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
N-Lewis base mediated room temperature synthesis of covalent organic frameworks (COFs) starting from a solution of building blocks instead of partially soluble building blocks was developed. This protocol shifts COF synthetic chemistry from sealed tubes to open beakers. Non-conventional inclusion compounds of COF-1 were obtained by vapor phase infiltration of ferrocene and azobenzene, and solvation like effects were established. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
London |
Editor |
|
|
| |
Language |
|
Wos |
000312193100007 |
Publication Date |
2012-11-06 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.319 |
Times cited |
17 |
Open Access |
|
|
| |
Notes |
262348 Esmi |
Approved |
Most recent IF: 6.319; 2013 IF: 6.718 |
|
| |
Call Number |
UA @ lucian @ c:irua:105953 |
Serial |
1815 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Richard, O.; Van Tendeloo, G.; Lemée, N.; le Lannic, J.; Guilloux-Viry, M.; Perrin, A. |
|
| |
Title |
Microstructure of CuXMo6S8 Chevrel phase thin films on R-plane sapphire |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Journal of electron microscopy |
Abbreviated Journal |
Microscopy-Jpn |
|
| |
Volume |
49 |
Issue |
3 |
Pages |
493-501 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Tokyo |
Editor |
|
|
| |
Language |
|
Wos |
000088308100015 |
Publication Date |
2012-04-19 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0022-0744;1477-9986; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
0.9 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:54722 |
Serial |
2069 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Verberck, B.; Cambedouzou, J.; Vliegenthart, G.A.; Gompper, G.; Launois, P. |
|
| |
Title |
A Monte Carlo study of C70 molecular motion in C70@SWCNT peapods |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
|
| |
Volume |
49 |
Issue |
6 |
Pages |
2007-2021 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We present Monte Carlo simulations of chains of C70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). For various tube radii R (6.5 Å less-than-or-equals, slant R less-than-or-equals, slant 7.5 Å), we analyze rotational and translational motion of the C70 molecules, as a function of temperature. Apart from reproducing the experimentally well-established lying and standing molecular orientations for small and large tube radii, respectively, we observe, depending on the tube diameter, a variety of molecular motions, orientational flipping of lying molecules, and the migration of molecules resulting in a continual rearrangement of the C70 molecules in clusters of varying lengths. With increasing temperature, the evolution of the pair correlation functions reveals a transition from linear harmonic chain behavior to a hard-sphere liquid, making C70@SWCNT peapods tunable physical realizations of two well-known one-dimensional model systems. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
|
| |
Language |
|
Wos |
000288689900025 |
Publication Date |
2011-01-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.337 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
; Helpful discussions with K.H. Michel, P.-A. Albouy and C. Bousige are greatly acknowledged. This work was financially supported by the Research Foundation – Flanders (FWO-Vl). B.V. is a Postdoctoral Fellow of the Research Foundation Flanders (FWO-VI). ; |
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
|
| |
Call Number |
UA @ lucian @ c:irua:89660 |
Serial |
2201 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bedanov, V.M.; Peeters, F.M. |
|
| |
Title |
Ordering and phase transitions of charged particles in a classical finite two-dimensional system |
Type |
A1 Journal article |
| |
Year |
1994 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
49 |
Issue |
|
Pages |
2667-2676 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
A1994MV08900040 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121; 0163-1829 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.736 |
Times cited |
412 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:9366 |
Serial |
2505 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Panin, R.V.; Khasanova, N.R.; Bougerol, C.; Schnelle, W.; Van Tendeloo, G.; Antipov, E.V. |
|
| |
Title |
Ordering of Pd2+ and Pd4+ in the mixed-valent palladate KPd2O3 |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
|
| |
Volume |
49 |
Issue |
4 |
Pages |
1295-1297 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
A new potassium palladate KPd2O3 was synthesized by the reaction of KO2 and PdO at elevated oxygen pressure. Its crystal structure was solved from powder X-ray diffraction data in the space group Rm (a = 6.0730(1) Å, c = 18.7770(7) Å, and Z = 6). KPd2O3 represents a new structure type, consisting of an alternating sequence of K+ and Pd2O3− layers with ordered Pd2+ and Pd4+ ions. The presence of palladium ions in di- and tetravalent low-spin states was confirmed by magnetic susceptibility measurements. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000274240700009 |
Publication Date |
2010-01-12 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.857 |
Times cited |
9 |
Open Access |
|
|
| |
Notes |
Iap Iv |
Approved |
Most recent IF: 4.857; 2010 IF: 4.326 |
|
| |
Call Number |
UA @ lucian @ c:irua:80990 |
Serial |
2507 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Liu, S.; Wei, M.; Sui, X.; Cheng, X.; Cool, P.; Van Tendeloo, G. |
|
| |
Title |
A scanning electron microscopy study on hollow silica microspheres: defects and influences of the synthesis composition |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Journal of sol-gel science and technology |
Abbreviated Journal |
J Sol-Gel Sci Techn |
|
| |
Volume |
49 |
Issue |
3 |
Pages |
373-379 |
|
| |
Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Defects on hollow silica spheres synthesized in a tetraethylorthosilicate-octylamine-HCl-H2O system were recorded by scanning microscope. Based on the results, influences of synthesis composition on the formation of these defects are discussed. It is evidenced that products prepared with different octylamine-to-tetraethylorthosilicate ratios may have surface depressions, cracks and non-hollow microspheres. However, by changing water and acid additions, these defects could be reduced or eliminated. Generally, samples synthesized with a large octylamine addition commonly exhibit surface depressions. A small octylamine or a large water addition benefits the formation of solid silica microspheres among the product. Acid, although is not indispensable for the formation of hollow spheres, helps to eliminate or reduce depressions on the hollow shells. It is explained that the added acid gives rise to a relative localized fast hydrolysis versus condensation, facilitating an easy mobility of hydrolyzed silica species, and consequently the shell surface is smoothened. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
Kluwer |
Place of Publication |
Dordrecht |
Editor |
|
|
| |
Language |
|
Wos |
000263260100015 |
Publication Date |
2008-12-16 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0928-0707;1573-4846; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.575 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.575; 2009 IF: 1.393 |
|
| |
Call Number |
UA @ lucian @ c:irua:74962 |
Serial |
2941 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Abakumov, A.M.; Hadermann, J.; Batuk, M.; d' Hondt, H.; Tyablikov, O.A.; Rozova, M.G.; Pokholok, K.V.; Filimonov, D.S.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V. |
|
| |
Title |
Slicing the Perovskite structure with crystallographic shear planes : the AnBnO3n-2 homologous series |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
|
| |
Volume |
49 |
Issue |
20 |
Pages |
9508-9516 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
A new AnBnO3n−2 homologous series of anion-deficient perovskites has been evidenced by preparation of the members with n = 5 (Pb2.9Ba2.1Fe4TiO13) and n = 6 (Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16) in a single phase form. The crystal structures of these compounds were determined using a combination of transmission electron microscopy and X-ray and neutron powder diffraction (S.G. Ammm, a = 5.74313(7), b = 3.98402(4), c = 26.8378(4) Å, RI = 0.035, RP = 0.042 for Pb2.9Ba2.1Fe4TiO13 and S.G. Imma, a = 5.7199(1), b = 3.97066(7), c = 32.5245(8) Å, RI = 0.032, RP = 0.037 for Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16). The crystal structures of the AnBnO3n−2 homologues are formed by slicing the perovskite structure with (01)p crystallographic shear (CS) planes. The shear planes remove a layer of oxygen atoms and displace the perovskite blocks with respect to each other by the 1/2[110]p vector. The CS planes introduce edge-sharing connections of the transition metal−oxygen polyhedra at the interface between the perovskite blocks. This results in intrinsically frustrated magnetic couplings between the perovskite blocks due to a competition of the exchange interactions between the edge- and the corner-sharing metal−oxygen polyhedra. Despite the magnetic frustration, neutron powder diffraction and Mssbauer spectroscopy reveal that Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 are antiferromagnetically ordered below TN = 407 and 343 K, respectively. The Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 compounds are in a paraelectric state in the 5−300 K temperature range. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000282783400051 |
Publication Date |
2010-09-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.857 |
Times cited |
23 |
Open Access |
|
|
| |
Notes |
Esteem 026019; Fwo |
Approved |
Most recent IF: 4.857; 2010 IF: 4.326 |
|
| |
Call Number |
UA @ lucian @ c:irua:84963 |
Serial |
3041 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Krekels, T.; Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J. |
|
| |
Title |
Structural effects of element substitution in the CuO plane of the 1-2-3 YBCO superconductor |
Type |
A1 Journal article |
| |
Year |
1993 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
|
| |
Volume |
49 |
Issue |
|
Pages |
287 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Copenhagen |
Editor |
|
|
| |
Language |
|
Wos |
A1993KR35400006 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0108-7673 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.307 |
Times cited |
56 |
Open Access |
|
|
| |
Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
|
| |
Call Number |
UA @ lucian @ c:irua:6840 |
Serial |
3233 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Dzhurakhalov, A.A.; Peeters, F.M. |
|
| |
Title |
Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
|
| |
Volume |
49 |
Issue |
10 |
Pages |
3258-3266 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES) |
|
| |
Abstract |
Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential. The lowest energy adsorption sites and the most important metastable sites are determined. The H concentration is varied from a single H atom, to clusters of H atoms up to full coverage. We found that when two or more H atoms are present, the most stable configurations of H chemisorption on a single graphene layer are ortho hydrogen pairs adsorbed on one side or on both sides of the graphene sheet. The latter has the highest hydrogen binding energy. The next stable configuration is the orthopara pair combination, and then para hydrogen pairs. The structural changes of graphene caused by chemisorbed hydrogen are discussed and are compared with existing experimental data and other theoretical calculations. The obtained results will be useful for nanoengineering of graphene by hydrogenation and for hydrogen storage. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
|
| |
Language |
|
Wos |
000291959300014 |
Publication Date |
2011-04-15 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.337 |
Times cited |
46 |
Open Access |
|
|
| |
Notes |
; A.D. thanks M.W. Zhao for a useful correspondence. This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
|
| |
Call Number |
UA @ lucian @ c:irua:90877 |
Serial |
3275 |
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| Permanent link to this record |
