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Author | Maerivoet, S.; Wanten, B.; De Meyer, R.; Van Hove, M.; Van Alphen, S.; Bogaerts, A. | ||||
Title | Effect of O2on Plasma-Based Dry Reforming of Methane: Revealing the Optimal Gas Composition via Experiments and Modeling of an Atmospheric Pressure Glow Discharge | Type | A1 Journal Article | ||
Year | 2024 | Publication | ACS Sustainable Chemistry & Engineering | Abbreviated Journal | ACS Sustainable Chem. Eng. |
Volume | 12 | Issue | 30 | Pages | 11419-11434 |
Keywords | A1 Journal Article; plasma-based conversion, thermal plasma, syngas production, CO2 conversion, CH4 conversio; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | Plasma technology is gaining increasing interest for the conversion of greenhouse gases, such as CO2 and CH4, into value-added chemicals using (renewable) electricity. In this paper, we study the effect of O2 addition to the combined conversion of CO2 and CH4 in an atmospheric pressure glow discharge plasma. This process is called “oxidative CO2 reforming of methane”, and we search for the optimal gas mixing ratio in terms of conversion, energy cost, product output and plasma stability. A mixing ratio of 42.5:42.5:15 CO2/CH4/O2 yields the best performance, with a CO2 and CH4 conversion of 50 and 74%, respectively, and an energy cost as low as 2 eV molecule−1 (corresponding to 7.9 kJ L−1 and 190 kJ mol−1), i.e., clearly below the target defined to be competitive with other technologies. The syngas components (CO and H2) are the most important products, with a syngas ratio, H2/CO, being 0.8. Plasma destabilization at high CH4 fractions due to solid carbon formation is the limiting factor for further improving this syngas ratio. The solid carbon material is found to be contaminated with steel particles originating from the electrode material, rendering it unappealing as a side product. Therefore, O2 addition helps to remove the carbon formation. Besides the experiments, we developed a 2D axisymmetric fluid dynamics model, which can successfully predict the experimental trends in conversion, product composition and temperatures, while providing unique insights in the formation of CxHy species. | ||||
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Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001280 | Publication Date | 2024-07-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 8.4 | Times cited | Open Access | ||
Notes | Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, 40007511 G0I1822N ; H2020 European Research Council, 810182 ; | Approved | Most recent IF: 8.4; 2024 IF: 5.951 | ||
Call Number | PLASMANT @ plasmant @c:irua:207488 | Serial | 9257 | ||
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Author | Chowdhury, M.S.; Esteban, D.A.; Amin, R.; Román-Freijeiro, C.; Rösch, E.L.; Etzkorn, M.; Schilling, M.; Ludwig, F.; Bals, S.; Salgueiriño, V.; Lak, A. | ||||
Title | Organic Molecular Glues to Design Three-Dimensional Cubic Nano-assemblies of Magnetic Nanoparticles | Type | A1 Journal Article | ||
Year | 2024 | Publication | Chemistry of Materials | Abbreviated Journal | Chem. Mater. |
Volume | 36 | Issue | 14 | Pages | 6865-6876 |
Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
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Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001275 | Publication Date | 2024-07-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 8.6 | Times cited | Open Access | ||
Notes | Ministerio de Ciencia e Innovaci?n, PID2020-119242-I00 ; Deutsche Forschungsgemeinschaft, LA 4923/3-1 RTG 1952 ; Horizon 2020 Framework Programme, 823717 ; | Approved | Most recent IF: 8.6; 2024 IF: 9.466 | ||
Call Number | EMAT @ emat @c:irua:207594 | Serial | 9258 | ||
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Author | Cavallo, M.; Dosa, M.; Nakazato, R.; Porcaro, N.G.; Signorile, M.; Quintelier, M.; Hadermann, J.; Bordiga, S.; Rosero-Navarro, N.C.; Tadanaga, K.; Crocellà, V.; Bonino, F. | ||||
Title | Insight on Zn-Al LDH as electrocatalyst for CO2 reduction reaction: An in-situ ATR-IR study | Type | A1 Journal Article | ||
Year | 2024 | Publication | Journal of CO2 Utilization | Abbreviated Journal | Journal of CO2 Utilization |
Volume | 83 | Issue | Pages | 102804 | |
Keywords | A1 Journal Article; In-situ ATR-IR spectroscopy; Layered Double Hydroxide; CO2 reduction reaction; Electrocatalysis; Electron Microscopy for Materials Science (EMAT) ; | ||||
Abstract | Electrochemical reduction of CO2 (CO2RR) is expected to play a key role among the various strategies being explored to limit global warming. In this scenario, Layered Double Hydroxides (LDHs) are emerging as a promising class of electrocatalysts to replace the most used noble metals. In this work three Zn-Al LDH with different Zn2+/Al3+ ratio were synthesized and characterized by means of XRD, STEM-EDX and HR-TEM. Their suitability for CO2RR to CO was assessed by means of a custom-made three-compartment cell, showing an increase in CO selectivity by decreasing the Zn2+/Al3+ ratio. The CO2 interaction with the samples was firstly characterized by means of volumetric adsorption measurements, exhibiting an increase in capture capacity by decreasing the Zn2+/Al3+ ratio. The evolution of the samples in interaction with a CO2-saturated liquid flow was then deeply investigated by means of in-situ ATR-IR spectroscopy. The samples displayed a different evolution in the vibrational region of the carbonate-like species (1800–1200 cm???? 1). To better discriminate the different carbonate cyclohexane was also employed. A definitive assignment of the main IR bands of the carbonate was carried out by studying the spectral behavior of the different bands observed in the ATR-IR experiments and by comparing these results with the existing literature. Interestingly, Zn-Al 1:2 LDH, the most efficient electrocatalyst for CO2RR, is also the sole sample exhibiting a higher monodentate to total bidentate carbonates ratio, suggesting that the existence of a higher content of low coordination oxygen anions with stronger basic character can influence the final catalytic activity. |
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Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001264 | Publication Date | 2024-05-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2212-9820 | ISBN | Additional Links | UA library record; WoS full record; WoS full record | |
Impact Factor | 7.7 | Times cited | Open Access | ||
Notes | This work was supported by 4AirCRAFT project under the strategic international cooperation between Europe and Japan. 4AirCRAFT has received funding from the European Union’s Horizon 2020 research and innovation programme (No 101022633) and Japan Science and Technology Agency (JST) (No JPMJSC2102). We acknowledge the Hercules fund ’Direct electron detector for soft matter TEM’ from Flemish Government for the purchase of the K2 DED. MC, MD, NGP, MS, SB, VC and FB acknowledge support from the Project CH4.0 under the MUR program “Dipartimenti di Eccellenza 2023–2027” (CUP: D13C22003520001) | Approved | Most recent IF: 7.7; 2024 IF: 4.292 | ||
Call Number | EMAT @ emat @c:irua:207069 | Serial | 9259 | ||
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Author | Espona‐Noguera, A.; Živanić, M.; Smits, E.; Bogaerts, A.; Privat‐Maldonado, A.; Canal, C. | ||||
Title | Unlocking Novel Anticancer Strategies: Bioactive Hydrogels for Local Delivery of Plasma‐Derived Oxidants in an In Ovo Cancer Model | Type | A1 Journal Article | ||
Year | 2024 | Publication | Macromolecular Bioscience | Abbreviated Journal | Macromolecular Bioscience |
Volume | Issue | Pages | |||
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | Cold atmospheric plasma (CAP) is a tool with the ability to generate reactive oxygen and nitrogen species (RONS), which can induce therapeutic effects like disinfection, wound healing, and cancer treatment. In the plasma oncology field, CAP‐treated hydrogels (PTHs) are being explored for the local administration of CAP‐derived RONS as a novel anticancer approach. PTHs have shown anticancer effects in vitro, however, they have not yet been studied in more relevant cancer models. In this context, the present study explores for the first time the therapeutic potential of PTHs using an advanced in ovo cancer model. PTHs composed of alginate (Alg), gelatin (Gel), Alg/Gel combination, or Alg/hyaluronic acid (HA) combination are investigated. All embryos survived the PTHs treatment, suggesting that the in ovo model could become a time‐ and cost‐effective tool for developing hydrogel‐based anticancer approaches. Results revealed a notable reduction in CD44+ cell population and their proliferative state for the CAP‐treated Alg‐HA condition. Moreover, the CAP‐treated Alg‐HA formulation alters the extracellular matrix composition, which may help combat drug‐resistance. In conclusion, the present study validates the utility of in ovo cancer model for PTHs exploration and highlights the promising potential of Alg‐based PTHs containing HA and CAP‐derived RONS for cancer treatment. | ||||
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Language | Wos | Publication Date | 2024-07-05 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1616-5187 | ISBN | Additional Links | ||
Impact Factor | 4.6 | Times cited | Open Access | ||
Notes | Generalitat de Catalunya, SGR2022‐1368 ; European Cooperation in Science and Technology, COSTActionCA20114(TherapeuticalApplicationsofColdPlasmas) ; | Approved | Most recent IF: 4.6; 2024 IF: 3.238 | ||
Call Number | PLASMANT @ plasmant @ | Serial | 9263 | ||
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Author | Albrechts, M.; Tsonev, I.; Bogaerts, A. | ||||
Title | Can post-plasma CH4injection improve plasma-based dry reforming of methane? A modeling study | Type | A1 Journal Article | ||
Year | 2024 | Publication | Green Chemistry | Abbreviated Journal | Green Chem. |
Volume | 26 | Issue | 18 | Pages | 9712-9728 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | Thermal plasma-driven dry reforming of methane (DRM) has gained increased attention in recent years due to its high conversion and energy conversion efficiency (ECE). Recent experimental work investigated the performance of a pure CO<sub>2</sub>plasma with post-plasma CH<sub>4</sub>injection. The rationale behind this strategy is that by utilizing a pure CO<sub>2</sub>plasma, all plasma energy can be used to dissociate CO<sub>2</sub>, while CH<sub>4</sub>reforming proceeds post-plasma in the reforming reactor with residual heat, potentially improving the energy efficiency compared to injecting both CO<sub>2</sub>and CH<sub>4</sub>into the plasma. To assess whether post-plasma CH<sub>4</sub>injection indeed improves the DRM performance, we developed a chemical kinetics model describing the post-plasma conversion process. We first validated our model by reproducing the experimental results of the pure CO<sub>2</sub>plasma with post-plasma CH<sub>4</sub>injection. Subsequently, we compared both strategies: injecting only CO<sub>2</sub>inside the plasma while injecting CH<sub>4</sub>post-plasma,<italic>vs.</italic>classical plasma-based DRM. Our modeling results indicate that below specific energy inputs (SEI) of 220 kJ mol<sup>−1</sup>, the total conversion slightly improves (<italic>ca.</italic>5%) with the first strategy. However, the ECE is slightly lower due to the low H<sub>2</sub>selectivity caused by substantial H<sub>2</sub>O formation. The highest conversion and ECE are obtained at SEI values of 240–280 kJ mol<sup>−1</sup>, where both strategies yield nearly identical results, indicating the limited potential of improving the performance of DRM by pure CO<sub>2</sub>plasma with post-plasma CH<sub>4</sub>injection. Nevertheless, the approach is still very valuable to allow higher CH<sub>4</sub>/CO<sub>2</sub>ratios without problems of coke formation within the plasma, and thus, to improve plasma stability and reach higher syngas ratios, which is more useful for further Fischer–Tropsch or methanol synthesis. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2024-08-24 | ||
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Series Volume | Series Issue | Edition | |||
ISSN | 1463-9262 | ISBN | Additional Links | ||
Impact Factor | 9.8 | Times cited | Open Access | ||
Notes | HORIZON EUROPE Framework Programme, 101069491 ; | Approved | Most recent IF: 9.8; 2024 IF: 9.125 | ||
Call Number | PLASMANT @ plasmant @ | Serial | 9265 | ||
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Author | Arenas Esteban, D.; Wang, D.; Kadu, A.; Olluyn, N.; Sánchez-Iglesias, A.; Gomez-Perez, A.; González-Casablanca, J.; Nicolopoulos, S.; Liz-Marzán, L.M.; Bals, S. | ||||
Title | Quantitative 3D structural analysis of small colloidal assemblies under native conditions by liquid-cell fast electron tomography | Type | A1 Journal Article | ||
Year | 2024 | Publication | Nature Communications | Abbreviated Journal | Nat Commun |
Volume | 15 | Issue | 1 | Pages | 6399 |
Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
Abstract | Electron tomography has become a commonly used tool to investigate the three-dimensional (3D) structure of nanomaterials, including colloidal nanoparticle assemblies. However, electron microscopy is typically done under high-vacuum conditions, requiring sample preparation for assemblies obtained by wet colloid chemistry methods. This involves solvent evaporation and deposition on a solid support, which consistently alters the nanoparticle organization. Here, we suggest using electron tomography to study nanoparticle assemblies in their original colloidal liquid environment. To address the challenges related to electron tomography in liquid, we devise a method that combines fast data acquisition in a commercial liquid-cell with a dedicated alignment and reconstruction workflow. We present the advantages of this methodology in accurately characterizing two different systems. 3D reconstructions of assemblies comprising polystyrene-capped Au nanoparticles encapsulated in polymeric shells reveal less compact and more distorted configurations for experiments performed in a liquid medium compared to their dried counterparts. A similar expanded trend can be observed in quantitative analysis of the surface-to-surface distances of self-assembled Au nanorods in water rather than in a vacuum, which agrees with bulk measurements. This study, therefore, emphasizes the importance of developing high-resolution characterization tools that preserve the native environment of colloidal nanostructures. | ||||
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Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001281 | Publication Date | 2024-07-30 | |
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ISSN | 2041-1723 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 16.6 | Times cited | Open Access | ||
Notes | S.B., D.A.E., D.W., N.O., and A.K. acknowledge financial support from ERC Consolidator Grant Number 815128 REALNANO and Horizon Europe MSCA-SE no. 101131111 – DELIGHT. D.W. acknowledges an Individual Fellowship funded by the Marie Skłodowska-Curie Actions (MSCA) in Horizon 2020 program (grant 894254 SuprAtom). L.M.L.M. acknowledges financial support from Project PID2020-117779RB-I00, State Research Agency of Spain, Ministry of Science and Innovation. | Approved | Most recent IF: 16.6; 2024 IF: 12.124 | ||
Call Number | EMAT @ emat @c:irua:207654 | Serial | 9272 | ||
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Author | Schrenker, N.J.; Braeckevelt, T.; De Backer, A.; Livakas, N.; Yu, C.-P.; Friedrich, T.; Roeffaers, M.B.J.; Hofkens, J.; Verbeeck, J.; Manna, L.; Van Speybroeck, V.; Van Aert, S.; Bals, S. | ||||
Title | Investigation of the Octahedral Network Structure in Formamidinium Lead Bromide Nanocrystals by Low-Dose Scanning Transmission Electron Microscopy | Type | A1 Journal Article | ||
Year | 2024 | Publication | Nano Letters | Abbreviated Journal | Nano Lett. |
Volume | 24 | Issue | 35 | Pages | 10936-10942 |
Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
Abstract | Metal halide perovskites (MHP) are highly promising semiconductors. In this study, we focus on FAPbBr3 nanocrystals, which are of great interest for green light-emitting diodes. Structural parameters significantly impact the properties of MHPs and are linked to phase instability, which hampers long-term applications. Clearly, there is a need for local and precise characterization techniques at the atomic scale, such as transmission electron microscopy. Because of the high electron beam sensitivity of MHPs, these investigations are extremely challenging. Here, we applied a low-dose method based on four-dimensional scanning transmission electron microscopy. We quantified the observed elongation of the projections of the Br atomic columns, suggesting an alternation in the position of the Br atoms perpendicular to the Pb–Br–Pb bonds. Together with molecular dynamics simulations, these results remarkably reveal local distortions in an on-average cubic structure. Additionally, this study provides an approach to prospectively investigating the fundamental degradation mechanisms of MHPs. | ||||
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Language | Wos | Publication Date | 2024-09-04 | ||
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Series Volume | Series Issue | Edition | |||
ISSN | 1530-6984 | ISBN | Additional Links | ||
Impact Factor | 10.8 | Times cited | Open Access | ||
Notes | The authors acknowledge financial support from the Research Foundation-Flanders (FWO) through project fundings (G0A7723N) and a postdoctoral fellowship to N.J.S. (FWO Grants 1238622N and V413524N). The authors acknowledge financial support from iBOF-21-085 PERSIST. S.B. and S.V.A. acknowledge financial support from the European Commission by ERC Consolidator Grant 815128 (REALNANO) and Grant 770887 (PICOMETRICS). L.M. acknowledges financial support from the European Commission by ERC Advanced Grant 101095974 (NEHA). V.V.S. furthermore acknowledges the Research Fund of Ghent University (BOF) for its financial support. The computational resources and services used in this work were provided by VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO), and the Flemish Government. | Approved | Most recent IF: 10.8; 2024 IF: 12.712 | ||
Call Number | EMAT @ emat @ | Serial | 9273 | ||
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Author | Zani, V.; Renero-Lecuna, C.; Jimenez de Aberasturi, D.; di Silvio, D.; Kavak, S.; Bals, S.; Signorini, R.; Liz-Marzán, L.M. | ||||
Title | Core–Shell Colloidal Nanocomposites for Local Temperature Monitoring during Photothermal Heating | Type | A1 Journal Article | ||
Year | 2024 | Publication | The Journal of Physical Chemistry C | Abbreviated Journal | J. Phys. Chem. C |
Volume | Issue | Pages | |||
Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
Abstract | Determining temperature changes at the heating site to accurately control thermal treatments has been a major goal in the field of nanothermometry. In this study, we address the need to effectively monitor local temperature during the application of photothermal therapies, which is essential to prevent uncontrolled heating induced by nanoparticle sensitizers used in such treatments. For this purpose, we developed a synthetic protocol to produce a nanocomposite probe that allows local photothermal heating and simultaneous in situ optical nanothermometry, within the biological transparency windows. The nanocomposite material comprises gold nanorods for light-to-heat conversion and neodymium (Nd3+)-based nanoparticles for local temperature monitoring. An inert spacer made of mesoporous silica provides a core-shell structure and ensures uniform separation between both functionalities to prevent photoluminescence quenching. By using an 808 nm laser as the source for both heating and photoluminescence excitation, we demonstrate a direct correlation between local temperature and near infrared Nd3+ emission intensities, thereby providing precise local temperature monitoring. Different levels of local heating were studied by varying the incident laser power, resulting in a maximum temperature increase of 47 °C detected with the nanothermometers. Albeit presented here as a proof of concept, this concept can be translated to the design of materials for photothermal therapy. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2024-10-03 | ||
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ISSN | 1932-7447 | ISBN | Additional Links | ||
Impact Factor | 3.7 | Times cited | Open Access | ||
Notes | L.L.L.-M. acknowledges financial support by the Spanish Agencia Estatal de Investigación and FEDER (PID2023-151281OB-I00), S.K. acknowledges the Flemish Fund for Scientific Research (FWO Vlaanderen) through a PhD research grant (Project numbers: 1181122N & 1181124N) and the European Research Council (CoG 815128, REALNANO). | Approved | Most recent IF: 3.7; 2024 IF: 4.536 | ||
Call Number | EMAT @ emat @ | Serial | 9328 | ||
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Author | Sun, J.; Qu, Z.; Gao, Y.; Li, T.; Hong, J.; Zhang, T.; Zhou, R.; Liu, D.; Tu, X.; Chen, G.; Brüser, V.; Weltmann, K.-D.; Mei, D.; Fang, Z.; Borras, A.; Barranco, A.; Xu, S.; Ma, C.; Dou, L.; Zhang, S.; Shao, T.; Chen, G.; Liu, D.; Lu, X.; Bo, Z.; Chiang, W.-H.; Vasilev, K.; Keidar, M.; Nikiforov, A.; Jalili, A.R.; Cullen, P.J.; Dai, L.; Hessel, V.; Bogaerts, A.; Murphy, A.B.; Zhou, R.; Ostrikov, K.(K.) | ||||
Title | Plasma power-to-X (PP2X): status and opportunities for non-thermal plasma technologies | Type | A1 Journal Article | ||
Year | 2024 | Publication | Journal of Physics D: Applied Physics | Abbreviated Journal | J. Phys. D: Appl. Phys. |
Volume | 57 | Issue | 50 | Pages | 503002 |
Keywords | A1 Journal Article; plasma power-to-X, non-thermal plasma, gas conversion, plasma catalysis, renewable energy; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | This article discusses the ‘power-to-X’ (P2X) concept, highlighting the integral role of non-thermal plasma (NTP) in P2X for the eco-friendly production of chemicals and valuable fuels. NTP with unique thermally non-equilibrium characteristics, enables exotic reactions to occur under ambient conditions. This review summarizes the plasma-based P2X systems, including plasma discharges, reactor configurations, catalytic or non-catalytic processes, and modeling techniques. Especially, the potential of NTP to directly convert stable molecules including CO<sub>2</sub>, CH<sub>4</sub>and air/N<sub>2</sub>is critically examined. Additionally, we further present and discuss hybrid technologies that integrate NTP with photocatalysis, electrocatalysis, and biocatalysis, broadening its applications in P2X. It concludes by identifying key challenges, such as high energy consumption, and calls for the outlook in plasma catalysis and complex reaction systems to generate valuable products efficiently and sustainably, and achieve the industrial viability of the proposed plasma P2X strategy. | ||||
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Language | Wos | Publication Date | 2024-12-20 | ||
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Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727 | ISBN | Additional Links | ||
Impact Factor | 3.4 | Times cited | Open Access | ||
Notes | Alexander von Humboldt Foundation; National Science Foundation, 1747760 ; Australian Research Council; | Approved | Most recent IF: 3.4; 2024 IF: 2.588 | ||
Call Number | PLASMANT @ plasmant @ | Serial | 9330 | ||
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Author | Heirman, P.; Verswyvel, H.; Bauwens, M.; Yusupov, M.; De Waele, J.; Lin, A.; Smits, E.; Bogaerts, A. | ||||
Title | Effect of plasma-induced oxidation on NK cell immune checkpoint ligands: A computational-experimental approach | Type | A1 Journal Article | ||
Year | 2024 | Publication | Redox Biology | Abbreviated Journal | Redox Biology |
Volume | 77 | Issue | Pages | 103381 | |
Keywords | A1 Journal Article; Non-thermal plasma Natural killer cells Immune checkpoints Cancer immunotherapy Umbrella sampling Oxidative stress; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | Non-thermal plasma (NTP) shows promise as a potent anti-cancer therapy with both cytotoxic and immunomodulatory effects. In this study, we investigate the chemical and biological effects of NTP-induced oxidation on several key, determinant immune checkpoints of natural killer (NK) cell function. We used molecular dynamics (MD) and umbrella sampling simulations to investigate the effect of NTP-induced oxidative changes on the MHCI complexes HLA-Cw4 and HLA-E. Our simulations indicate that these chemical alterations do not significantly affect the binding affinity of these markers to their corresponding NK cell receptor, which is supported with experimental read-outs of ligand expression on human head and neck squamous cell carcinoma cells after NTP application. Broadening our scope to other key ligands for NK cell reactivity, we demonstrate rapid reduction in CD155 and CD112, target ligands of the inhibitory TIGIT axis, and in immune checkpoint CD73 immediately after treatment. Besides these transient chemical alterations, the reactive species in NTP cause a cascade of downstream cellular reactions. This is underlined by the upregulation of the stress proteins MICA/B, potent ligands for NK cell activation, 24 h post treatment. Taken together, this work corroborates the immunomodulatory potential of NTP, and sheds light on the interaction mechanisms between NTP and cancer cells. |
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Language | Wos | Publication Date | 2024-10-01 | ||
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ISSN | 2213-2317 | ISBN | Additional Links | ||
Impact Factor | 11.4 | Times cited | Open Access | ||
Notes | This research was funded by the Impuls project of the University of Antwerp, grant number 46381. We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant ID 1100421N (Pepijn Heirman), 1S67621N (Hanne Verswyvel), G044420N (Abraham Lin) and G033020N (Pepijn Heirman, Annemie Bogaerts)). M.Y. ac knowledges the Agency for Innovative Development of the Republic of Uzbekistan, grant number AL-4821012320. The computational sources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish percomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. This article is based upon work from COST Action CA20114 PlasTHER “Therapeutical Applications of Cold Plasmas”, supported by COST (European Cooperation in Science and Technology). We would also like to thank several patrons, as part of this research was funded by donations from different donors, including Dedert Schilde vzw, Mr Willy Floren, and the Vereycken family. Finally, we thank Robin De Meyer, Rani Vertongen and Louize Brants for their valuable input. | Approved | Most recent IF: 11.4; 2024 IF: 6.337 | ||
Call Number | PLASMANT @ plasmant @ | Serial | 9331 | ||
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Author | Herrebout, D.; Bogaerts, A.; Yan, M.; Goedheer, W.; Dekempeneer, E.; Gijbels, R. | ||||
Title | 1D fluid model for an rf methane plasma of interest in deposition of diamond-like carbon layers | Type | A1 Journal article | ||
Year | 2001 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 90 | Issue | Pages | 570-579 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000169660000007 | Publication Date | 2002-07-26 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.068 | Times cited | 83 | Open Access | |
Notes | Approved | Most recent IF: 2.068; 2001 IF: 2.128 | |||
Call Number | UA @ lucian @ c:irua:37250 c:irua:37250 c:irua:37250 c:irua:37250 | Serial | 2 | ||
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Author | Bogaerts, R.; de Keyser, A.; van Bockstal, L.; van der Burgt, M.; van Esch, A.; Provoost, R.; Silverans, R.; Herlach, F.; Swinnen, B.; van de Stadt, A.F.W.; Koenraad, P.M.; Wolter, J.H.; Karavolas, V.C.; Peeters, F.M.; van de Graaf, W.; Borghs, G. | ||||
Title | 2D semiconductors at the Leuven pulsed field facility | Type | A1 Journal article | ||
Year | 1997 | Publication | Physicalia magazine | Abbreviated Journal | |
Volume | 19 | Issue | Pages | 229-239 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Gent | Editor | ||
Language | Wos | Publication Date | 0000-00-00 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0770-0520 | ISBN | Additional Links | UA library record | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:19257 | Serial | 7 | ||
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Author | Liu, J.; Hu, Z.-Y.; Peng, Y.; Huang, H.-W.; Li, Y.; Wu, M.; Ke, X.-X.; Van Tendeloo, G.; Su, B.-L. | ||||
Title | 2D ZnO mesoporous single-crystal nanosheets with exposed {0001} polar facets for the depollution of cationic dye molecules by highly selective adsorption and photocatalytic decomposition | Type | A1 Journal article | ||
Year | 2016 | Publication | Applied catalysis : B : environmental | Abbreviated Journal | Appl Catal B-Environ |
Volume | 181 | Issue | 181 | Pages | 138-145 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Two dimensional (2D) ZnO nanosheets are ideal system for dimensionally confined transport phenomenon investigation owing to specific surface atomic configuration. Therefore, 2D ZnO porous nanosheets with single-crystal nature and {0001} polar facets, likely display some specific physicochemical properties. In this work, for the first time, 2D ZnO mesoporous single-crystal nanosheets (ZnO-MSN) with {0001} polar facets have been designed and prepared via an intriguing colloidal templating approach through controlling the infiltration speed for the suspension of EG-capped ZnO nanoparticles and polymer colloids. The EG-capped ZnO nanoparticles are very helpful for single-crystal nanosheet formation, while the polymer colloids play dual roles on the mesoporosity generation and {0001} polar facets formation within the mesopores. Such special 2D structure not only accelerates the hole-electron separation and the electron transportation owing to the single-crystal nature, but also enhances the selective adsorption of organic molecules owing to the porous structure and the exposed {0001} polar facets with more O-termination (000-1) surfaces: the 2D ZnO-MSN shows highly selective adsorption and significantly higher photodegradation for positively charged rhodamine B than those for negatively charged methyl orange and neutral phenol, comparing with ZnO nanoparticles (ZnO-NP) and ZnO commercial nanoparticles (ZnO-CNP) with high surface areas. This work may shed some light on better understanding the synthesis of 2D porous single-crystal nanosheet with exposed polar surfaces and photocatalytic mechanism of nanostructured semiconductors in a mixed organic molecules system. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000364256000015 | Publication Date | 2015-08-01 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0926-3373; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.446 | Times cited | 60 | Open Access | |
Notes | 246791 Countatoms | Approved | Most recent IF: 9.446 | ||
Call Number | c:irua:127638 c:irua:127638 c:irua:127638 | Serial | 10 | ||
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Author | Zhang, F.; Vanmeensel, K.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Van Meerbeek, B.; Naert, I.; Vleugels, J. | ||||
Title | 3Y-TZP ceramics with improved hydrothermal degradation resistance and fracture toughness | Type | A1 Journal article | ||
Year | 2014 | Publication | Journal of the European Ceramic Society | Abbreviated Journal | J Eur Ceram Soc |
Volume | 34 | Issue | 10 | Pages | 2453-2463 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Different factors such as the way of incorporating the Y2O3 stabilizer, alumina addition and sintering temperature were assessed with the goal to improve the low temperature degradation (LTD) resistance of 3Y-TZP without compromising on the mechanical properties. The degradation of hydrothermally treated specimens was studied by X-ray diffraction, micro-Raman spectroscopy and scanning electron microscopy. Decreasing the sintering temperature decreased the LTD susceptibility of 3Y-TZPs but did not allow to obtain a LTD resistant 3Y-TZP with optimized mechanical properties. Alumina addition along with the use of Y2O3 stabilizer coated starting powder allowed to combine both an excellent toughness and LTD resistance, as compared to alumina-free and stabilizer co-precipitated powder based equivalents. Transmission electron microscopy revealed that the improved LTD resistance could be attributed to the segregation of Al3+ at the grain boundary and the heterogeneously distributed Y3+ stabilizer. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Barking | Editor | ||
Language | Wos | 000336352500033 | Publication Date | 2014-03-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0955-2219; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 48 | Open Access | |
Notes | Fwo G.0431.10n | Approved | Most recent IF: 3.411; 2014 IF: 2.947 | ||
Call Number | UA @ lucian @ c:irua:117065 c:irua:117065 | Serial | 11 | ||
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Author | Hadermann, J.; Pérez, O.; Créon, N.; Michel, C.; Hervieu, M. | ||||
Title | The (3 + 2)D structure of oxygen deficient LaSrCuO3.52 | Type | A1 Journal article | ||
Year | 2007 | Publication | Journal of materials chemistry | Abbreviated Journal | J Mater Chem |
Volume | 17 | Issue | 22 | Pages | 2344-2350 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000247349400020 | Publication Date | 2007-04-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0959-9428;1364-5501; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 7 | Open Access | ||
Notes | Supergmr:Hprn-Ct-2000-0021 | Approved | Most recent IF: NA | ||
Call Number | UA @ lucian @ c:irua:64749 c:irua:64749 | Serial | 13 | ||
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Author | Cao, S.; Nishida, M.; Somsen, C.; Eggeler, G.; Schryvers, D. | ||||
Title | 3D FIB/SEM study of Ni4Ti3 precipitates in Ni-Ti alloys with different thermal-mechanical histories | Type | P1 Proceeding | ||
Year | 2009 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | 02004,1-02004,6 | ||
Keywords | P1 Proceeding; Electron microscopy for materials research (EMAT) | ||||
Abstract | The three-dimensional size, morphology and distribution of Ni4Ti3 precipitates growing in binary Ni-rich Ni-Ti alloys have been investigated via a slice view procedure in a Dual-Beam FIB/SEM system, in order to better stress-free Ni50.8Ti49.2 alloy with all four variants of precipitates and a compressed Ni51Ti49 alloy with aligned precipitates in one family were studied. The Ni4Ti3 precipitates reach a volume fraction of 9.6% in the reconstructed region of the stress-free alloy and 4.3% in the compressed one. In both cases, the mean volume, specific surface area, sphericity and aspect ratio of the precipitates are calculated and the Pair Distribution Functions of the precipitates are obtained. It is shown that most precipitates in the stress-free sample grow larger and have a more lenticular shape, while those in the compressed sample are more cylindrical. Deviations from these ideal shapes reveal internal steps in the stress-free sample and lamellae formation in the compressed one. | ||||
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Corporate Author | Thesis | ||||
Publisher | Edp | Place of Publication | Coutaboeuf | Editor | |
Language | Wos | 000274582300008 | Publication Date | 2009-08-31 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | ||
Impact Factor | Times cited | 1 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:81950 c:irua:81950 | Serial | 14 | ||
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Author | Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M. | ||||
Title | 30-band k\cdot p model of electron and hole states in silicon quantum wells | Type | A1 Journal article | ||
Year | 2013 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 88 | Issue | 20 | Pages | 205306 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000327161500007 | Publication Date | 2013-11-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 10 | Open Access | |
Notes | ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Belgian Science Policy (IAP), the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; | Approved | Most recent IF: 3.836; 2013 IF: 3.664 | ||
Call Number | UA @ lucian @ c:irua:112704 | Serial | 18 | ||
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Author | Pelloquin, D.; Hervieu, M.; Michel, C.; Van Tendeloo, G.; Maignan, A.; Raveau, B. | ||||
Title | A 94K Hg-based superconductor with a “1212” structure HG0.5Bi0.5Sr2Ca1-xRxCu2O6+\delta (R=ND,Y,Pr) | Type | A1 Journal article | ||
Year | 1993 | Publication | Physica: C : superconductivity | Abbreviated Journal | Physica C |
Volume | 216 | Issue | Pages | 257-263 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1993ME74800004 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0921-4534 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 0.942 | Times cited | 62 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:6844 | Serial | 21 | ||
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Author | Tyablikov, O.A.; Batuk, D.; Tsirlin, A.A.; Batuk, M.; Verchenko, V.Y.; Filimonov, D.S.; Pokholok, K.V.; Sheptyakov, D.V.; Rozova, M.G.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.; | ||||
Title | {110}-Layered B-cation ordering in the anion-deficient perovskite Pb2.4Ba2.6Fe2Sc2TiO13 with the crystallographic shear structure | Type | A1 Journal article | ||
Year | 2015 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | Dalton T |
Volume | 44 | Issue | 44 | Pages | 10753-10762 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A novel anion-deficient perovskite-based compound, Pb2.4Ba2.6Fe2Sc2TiO13, was synthesized via the citrate-based route. This compound is an n = 5 member of the A(n)B(n)O(3n-2) homologous series with unit-cell parameters related to the perovskite subcell a(p) approximate to 4.0 angstrom as a(p)root 2 x a(p) x 5a(p)root 2. The crystal structure of Pb2.4Ba2.6Fe2Sc2TiO13 consists of quasi-2D perovskite blocks with a thickness of three octahedral layers separated by the 1/2[110]((1) over bar 01)(p) crystallographic shear (CS) planes, which are parallel to the {110} plane of the perovskite subcell. The CS planes transform the corner-sharing octahedra into chains of edge-sharing distorted tetragonal pyramids. Using a combination of neutron powder diffraction, Fe-57 Mossbauer spectroscopy and atomic resolution electron energy-loss spectroscopy we demonstrate that the B-cations in Pb2.4Ba2.6Fe2Sc2TiO13 are ordered along the {110} perovskite layers with Fe3+ in distorted tetragonal pyramids along the CS planes, Ti4+ preferentially in the central octahedra of the perovskite blocks and Sc3+ in the outer octahedra of the perovskite blocks. Magnetic susceptibility and Mossbauer spectroscopy indicate a broadened magnetic transition around T-N similar to 45 K and the onset of local magnetic fields at low temperatures. The magnetic order is probably reminiscent of that in other A(n)B(n)O(3n-2) homologues, where G-type AFM order within the perovskite blocks has been observed. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000355701000026 | Publication Date | 2015-01-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1477-9226;1477-9234; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.029 | Times cited | 1 | Open Access | |
Notes | Approved | Most recent IF: 4.029; 2015 IF: 4.197 | |||
Call Number | c:irua:127001 | Serial | 22 | ||
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Author | Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. | ||||
Title | Ab initio based atomic scattering amplitudes and {002} electron structure factors of InxGa1-xAs/GaAs quantum wells | Type | A1 Journal article | ||
Year | 2010 | Publication | Journal of physics : conference series | Abbreviated Journal | |
Volume | 209 | Issue | 1 | Pages | 012040,1-012040,6 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The atomic scattering amplitudes of the various atoms of the systems Ga1−xInxAs, GaAs1−xNx and InAs1−xNx are calculated using the density functional theory (DFT) approach. The scattering amplitudes of N, Ga, As and In in the model systems are compared with the frequently used Doyle and Turner values. Deviation from the latter values is found for small scattering vectors (s<0.3Å−1) and for these scattering vectors dependence on the orientation of the scattering vector and the chemical environment is reported. We suggest a parametrization of these modified scattering amplitudes (MASAs) for small scattering vectors (s<1.0Å−1). The MASAs are exploited within zero pressure classical Metropolis Monte Carlo (MC), finite temperature calculations to investigate the effect of quantum well size on the electron {002} structure factor (SF) of Ga1−xInxAs quantum wells. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Bristol | Editor | ||
Language | Wos | 000283739100040 | Publication Date | 2010-02-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1742-6596; | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:85760 | Serial | 28 | ||
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Author | Dadsetani, M.; Titantah, J.T.; Lamoen, D. | ||||
Title | Ab initio calculation of the energy-loss near-edge structure of some carbon allotropes: comparison with n-diamond | Type | A1 Journal article | ||
Year | 2010 | Publication | Diamond and related materials | Abbreviated Journal | Diam Relat Mater |
Volume | 19 | Issue | 1 | Pages | 73-77 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The energy-loss near-edge structure (ELNES) spectra of several carbon allotropes (non-hydrogenated and hydrogenated face-centered cubic (FCC) carbon, rhombohedral carbon, glitter, hexagonite and lonsdaleite) are calculated within the supercell-core-excited density functional theory approach. In particular an experimental ELNES spectrum of new diamond (n-diamond) [Konyashin et al., Diamond Relat. Mater. 10, (2001) 99102] is compared with the ELNES spectra of FCC carbon, rhombohedral carbon and the so-called glitter structure. Our calculations show that the ELNES spectrum considered in that publication cannot be that of FCC carbon. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000274234500013 | Publication Date | 2009-11-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0925-9635; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.561 | Times cited | 11 | Open Access | |
Notes | Goa; Esteem 026019 | Approved | Most recent IF: 2.561; 2010 IF: 1.825 | ||
Call Number | UA @ lucian @ c:irua:79444 | Serial | 29 | ||
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Author | Schowalter, M.; Titantah, J.T.; Lamoen, D.; Kruse, P. | ||||
Title | Ab initio computation of the mean inner Coulomb potential of amorphous carbon structures | Type | A1 Journal article | ||
Year | 2005 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
Volume | 86 | Issue | Pages | 112102 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000228050700042 | Publication Date | 2005-03-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 15 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2005 IF: 4.127 | |||
Call Number | UA @ lucian @ c:irua:51764 | Serial | 31 | ||
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Author | Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. | ||||
Title | Ab initio computation of the mean inner Coulomb potential of technological important semiconductors | Type | A1 Journal article | ||
Year | 2005 | Publication | Abbreviated Journal | ||
Volume | 1007 | Issue | Pages | 233-236 | |
Keywords | A1 Journal article; Electron Microscopy for Materials Science (EMAT); | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | Publication Date | 0000-00-00 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0930-8989 | ISBN | Additional Links | UA library record; WoS full record; | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:72915 | Serial | 32 | ||
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Author | Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. | ||||
Title | Ab initio computation of the mean inner Coulomb potential of wurtzite-type semiconductors and gold | Type | A1 Journal article | ||
Year | 2006 | Publication | Applied Physics Letters | Abbreviated Journal | Appl Phys Lett |
Volume | 88 | Issue | 23 | Pages | Artn 232108 |
Keywords | A1 Journal article; Electron Microscopy for Materials Science (EMAT); | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000238914500031 | Publication Date | 2006-06-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 8 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2006 IF: 3.977 | |||
Call Number | UA @ lucian @ c:irua:60581 | Serial | 33 | ||
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Author | Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
Title | Ab initio spectroscopy and thermochemistry of the BN molecule | Type | A1 Journal article | ||
Year | 1991 | Publication | Zeitschrift für Physik : D : atoms, molecules and clusters | Abbreviated Journal | |
Volume | 21 | Issue | Pages | 47-55 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | A1991GA17200008 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0178-7683 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 17 | Open Access | ||
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:714 | Serial | 34 | ||
Permanent link to this record | |||||
Author | Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. | ||||
Title | Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule | Type | A1 Journal article | ||
Year | 1994 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
Volume | 222 | Issue | Pages | 517-523 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1994NN02600016 | Publication Date | 2002-07-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0009-2614; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.897 | Times cited | 14 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:10255 | Serial | 36 | ||
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Author | Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. | ||||
Title | Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules | Type | A1 Journal article | ||
Year | 1994 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
Volume | 226 | Issue | 5/6 | Pages | 475-483 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1994PE00500008 | Publication Date | 2002-07-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0009-2614; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.897 | Times cited | 46 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:10256 | Serial | 37 | ||
Permanent link to this record | |||||
Author | Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
Title | Ab initio study of the structure, infrared spectra and heat of formation of C4 | Type | A1 Journal article | ||
Year | 1991 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 94 | Issue | Pages | 3753-3761 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | A1991FA77800052 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.952 | Times cited | 62 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:715 | Serial | 38 | ||
Permanent link to this record | |||||
Author | Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
Title | An ab initio study of the C3+ cation using multireference methods | Type | A1 Journal article | ||
Year | 1991 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 95 | Issue | Pages | 6530-6534 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | Publication Date | 0000-00-00 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record | |
Impact Factor | 2.952 | Times cited | Open Access | ||
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:720 | Serial | 39 | ||
Permanent link to this record | |||||
Author | Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
Title | Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical | Type | A1 Journal article | ||
Year | 1996 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
Volume | 252 | Issue | 5/6 | Pages | 398-404 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X(2) Sigma(+) and first excited A(2) Pi states of the SiN radical have been calculated at the complete active space SCF (CASSCF), multireference CI (MRCI) and coupled cluster (CCSD(T)) levels using Dunning's correlation-consistent basis sets. The excitation energy of the A(2) Pi State has also been computed at these theoretical levels. Dipole moments of SiN in the X(2) Sigma(+) and A(2) Pi states are given. Our study shows that core correlation must be considered in order to obtain satisfactory accuracy for the spectroscopic constants. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1996UJ45000017 | Publication Date | 2003-05-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0009-2614; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.897 | Times cited | 28 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:12328 | Serial | 40 | ||
Permanent link to this record |