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Author Cavaliere, E.; Benetti, G.; Van Bael, M.; Winckelmans, N.; Bals, S.; Gavioli, L.
Title Exploring the Optical and Morphological Properties of Ag and Ag/TiO2 Nanocomposites Grown by Supersonic Cluster Beam Deposition Type A1 Journal article
Year 2017 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 7 Issue 7 Pages 442
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Nanocomposite systems and nanoparticle (NP) films are crucial for many applications and research fields. The structure-properties correlation raises complex questions due to the collective structure of these systems, often granular and porous, a crucial factor impacting their effectiveness and performance. In this framework, we investigate the optical and morphological properties of Ag nanoparticles (NPs) films and of Ag NPs/TiO₂ porous matrix films, one-step grown by supersonic cluster beam deposition. Morphology and structure of the Ag NPs film and of the Ag/TiO₂ (Ag/Ti 50-50) nanocomposite are related to the optical properties of the film employing spectroscopic ellipsometry (SE). We employ a simple Bruggeman effective medium approximation model, corrected by finite size effects of the nano-objects in the film structure to gather information on the structure and morphology of the nanocomposites, in particular porosity and average NPs size for the Ag/TiO₂ NP film. Our results suggest that SE is a simple, quick and effective method to measure porosity of nanoscale films and systems, where standard methods for measuring pore sizes might not be applicable.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (up) 000419186800037 Publication Date 2017-12-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.553 Times cited 19 Open Access OpenAccess
Notes The authors thank Gabriele Ferrini for fruitful discussions on the spectroscopic ellipsometry model and Francesco Rossella from NEST for the optical profilometry data. The authors acknowledge financial support from the European Union through the 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). Luca Gavioli, Emanuele Cavaliere and Giulio Benetti acknowledge support from Università Cattolica del Sacro Cuore through D.1.1 and D.3.1 grants. Approved Most recent IF: 3.553
Call Number EMAT @ emat @c:irua:147862UA @ admin @ c:irua:147862 Serial 4802
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Author Bal, K.M.; Huygh, S.; Bogaerts, A.; Neyts, E.C.
Title Effect of plasma-induced surface charging on catalytic processes: application to CO2activation Type A1 Journal article
Year 2018 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 27 Issue 2 Pages 024001
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Understanding the nature and effect of the multitude of plasma–surface interactions in plasma catalysis is a crucial requirement for further process development and improvement. A particularly intriguing and rather unique property of a plasma-catalytic setup is the ability of the plasma to modify the electronic structure, and hence chemical properties, of the catalyst through charging, i.e. the absorption of excess electrons. In this work, we develop a quantum chemical model based on density functional theory to study excess negative surface charges in a heterogeneous catalyst exposed to a plasma. This method is specifically applied to investigate plasma-catalytic CO2 activation on supported M/Al2O3 (M=Ti, Ni, Cu) single atom catalysts. We find that (1) the presence of a negative surface charge dramatically improves the reductive power of the catalyst, strongly promoting the splitting of CO2 to CO and oxygen, and (2) the relative activity of the investigated transition metals is also changed upon charging, suggesting that controlled surface charging is a powerful additional parameter to tune catalyst activity and selectivity. These results strongly point to plasma-induced surface charging of the catalyst as an important factor contributing to the plasma-catalyst synergistic effects frequently reported for plasma catalysis.
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Publisher Place of Publication Editor
Language Wos (up) 000424520100001 Publication Date 2018-02-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 19 Open Access OpenAccess
Notes KMB is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation—Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government— department EWI. Approved Most recent IF: 3.302
Call Number PLASMANT @ plasmant @c:irua:149285 Serial 4813
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Author Lackmann, J.-W.; Wende, K.; Verlackt, C.; Golda, J.; Volzke, J.; Kogelheide, F.; Held, J.; Bekeschus, S.; Bogaerts, A.; Schulz-von der Gathen, V.; Stapelmann, K.
Title Chemical fingerprints of cold physical plasmas – an experimental and computational study using cysteine as tracer compound Type A1 Journal article
Year 2018 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 8 Issue 1 Pages 7736
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Reactive oxygen and nitrogen species released by cold physical plasma are being proposed as effectors in various clinical conditions connected to inflammatory processes. As these plasmas can be tailored in a wide range, models to compare and control their biochemical footprint are desired to infer on the molecular mechanisms underlying the observed effects and to enable the discrimination between different plasma sources. Here, an improved model to trace short-lived reactive species is presented. Using FTIR, high-resolution mass spectrometry, and molecular dynamics computational simulation, covalent modifications of cysteine treated with different plasmas were deciphered and the respective product pattern used to generate a fingerprint of each plasma source. Such, our experimental model allows a fast and reliable grading of the chemical potential of plasmas used for medical purposes. Major reaction products were identified to be cysteine sulfonic acid, cystine, and cysteine fragments. Less abundant products, such as oxidized cystine derivatives or S-nitrosylated cysteines, were unique to different plasma sources or operating conditions. The data collected point at hydroxyl radicals, atomic O, and singlet oxygen as major contributing species that enable an impact on cellular thiol groups when applying cold plasma in vitro or in vivo.
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Publisher Place of Publication Editor
Language Wos (up) 000432275800035 Publication Date 2018-05-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 19 Open Access OpenAccess
Notes This work was supported by the German Research Foundation (DFG, grant PAK816 to V.SvdG.), the Federal German Ministry of Education and Research (grant number 03Z22DN12 to K.W. and 03Z22DN11 to S.B.), and the FWO-Flanders (grant number G012413N to A.B.). K.W. likes to thank T. von Woedtke and K.-D. Weltmann for constant support. The authors thank K. Kartaschew for fruitful discussion and G. Bruno for support during mock studies. Approved Most recent IF: 4.259
Call Number PLASMANT @ plasmant @c:irua:151241 Serial 4957
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Author Chen, Q.; Wang, W.; Peeters, F.M.
Title Magneto-polarons in monolayer transition-metal dichalcogenides Type A1 Journal article
Year 2018 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 123 Issue 21 Pages 214303
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Landau levels (LLs) are modified by the Frohlich interaction which we investigate within the improved Wigner-Brillouin theory for energies both below and above the longitudinal-optical-continuum in monolayer MoS2.., WS2, MoSe2, and WSe2. Polaron corrections to the LLs are enhanced in monolayer MoS2 as compared to WS2. A series of levels are found at h omega(LO) + lh omega(c), and in addition, the Frohlich interaction lifts the degeneracy between the levels nh omega(c) and h omega(LO) + lh omega(c) resulting in an anticrossing. The screening effect due to the environment plays an important role in the polaron energy corrections, which are also affected by the effective thickness r(eff) parameter. The polaron anticrossing energy gap E-gap decreases with increasing effective thickness r(eff). Published by AIP Publishing.
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Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos (up) 000434775500014 Publication Date 2018-06-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 19 Open Access
Notes ; Q. Chen and W. Wang acknowledge the financial support from the China Scholarship Council (CSC). This work was also supported by Hunan Provincial Natural Science Foundation of China (Grant No. 2015JJ2040), by the Scientific Research Fund of Hunan Provincial Education Department (Grant No. 15A042), and by the National Natural Science Foundation of China (Grant No. 11404214). ; Approved Most recent IF: 2.068
Call Number UA @ lucian @ c:irua:151985UA @ admin @ c:irua:151985 Serial 5031
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Author Nakhaee, M.; Ketabi, S.A.; Peeters, F.M.
Title Dirac nodal line in bilayer borophene : tight-binding model and low-energy effective Hamiltonian Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 98 Issue 11 Pages 115413
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Bilayer hexagonal borophene, which is bound together through pillars, is a novel topological semimetal. Using density functional theory, we investigate its electronic band structure and show that it is a Dirac material which exhibits a nodal line. A tight-binding model was constructed based on the Slater-Koster approach, which accurately models the electronic spectrum. We constructed an effective four-band model Hamiltonian to describe the spectrum near the nodal line. This Hamiltonian can be used as a new platform to study the new properties of nodal line semimetals. We found that the nodal line is created by edge states and is very robust against perturbations and impurities. Breaking symmetries can split the nodal line, but cannot open a gap.
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Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos (up) 000443916200007 Publication Date 2018-09-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 19 Open Access
Notes ; This work was supported by the Methusalem program of the Flemish government and the graphene FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:153649UA @ admin @ c:irua:153649 Serial 5090
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Author Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M.
Title Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene Type A1 Journal article
Year 2019 Publication 2D materials Abbreviated Journal 2D Mater
Volume 6 Issue 1 Pages 015032
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard Kubo formula, we show that the optical conductivity and the linear dichroism of few-layer phosphorene can be modulated by a perpendicular electric field. We find that the field-induced charge screening plays a significant role in modulating the optical conductivity and the linear dichroism. Distinct absorption peaks are induced in the conductivity spectrum due to the strong quantum confinement along the out-of-plane direction and to the field-induced forbidden-to-allowed transitions. The field modulation of the linear dichroism becomes more pronounced with increasing number of phosphorene layers. We also show that the Faraday rotation is present in few-layer phosphorene even in the absence of an external magnetic field. This optical Hall effect is induced by the reduced lattice symmetry of few-layer phosphorene. The Faraday rotation is greatly influenced by the field-induced charge screening and is strongly dependent on the strength of perpendicular electric field and on the number of phosphorene layers.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (up) 000454321100002 Publication Date 2018-11-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.937 Times cited 19 Open Access
Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: 6.937
Call Number UA @ admin @ c:irua:156776 Serial 5207
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Author Brandenburg, R.; Bogaerts, A.; Bongers, W.; Fridman, A.; Fridman, G.; Locke, B.R.; Miller, V.; Reuter, S.; Schiorlin, M.; Verreycken, T.; Ostrikov, K.K.
Title White paper on the future of plasma science in environment, for gas conversion and agriculture Type A1 Journal article
Year 2019 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 16 Issue 1 Pages 1700238
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Climate change, environmental pollution control, and resource utilization efficiency, as well as food security, sustainable agriculture, and water supply are among the main challenges facing society today. Expertise across different academic fields, technologies,anddisciplinesisneededtogeneratenewideastomeetthesechallenges. This “white paper” aims to provide a written summary by describing the main aspects and possibilities of the technology. It shows that plasma science and technology can make significant contributions to address the mentioned issues. The paper also addresses to people in the scientific community (inside and outside plasma science) to give inspiration for further work in these fields.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (up) 000455413600004 Publication Date 2018-07-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 19 Open Access Not_Open_Access
Notes This paper is a result of the PlasmaShape project, supported by funding from the European Union Seventh Framework Programme (FP7/2007-2013) under grant agreement no. 316216. During this project, young scientists and renowned and outstanding scientists collaborated in the development of a political-scientific consensus paper as well as six scientific, strategic white papers. In an unique format core themes such as energy, optics and glass, medicine and hygiene, aerospace and automotive, plastics and textiles, environment and agriculture and their future development were discussed regarding scientific relevance and economic impact. We would like to thank our colleagues from 18 nations from all over the world (Australia, Belgium, Czech Republic, PR China, France, Germany, Great Britain, Italy, Japan, The Netherlands, Poland, Romania, Russia, Slovakia, Slovenia, Sweden, Switzerland, USA) who have participated both workshops of Future in Plasma Science I and II in Greifswald in 2015/2016. The valuable contribution of all participants during the workshops, the intensive cooperation between the project partners, and the comprehensive input of all working groups of Future in Plasma Science was the base for the present paper. Kindly acknowledged is the support of graphical work by C. Desjardins and K. Drescher. Approved Most recent IF: 2.846
Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:156389 Serial 5146
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Author Das, S.; Rata, A.D.; Maznichenko, I., V; Agrestini, I.S.; Pippel, E.; Gauquelin, N.; Verbeeck, J.; Chen, K.; Valvidares, S.M.; Vasili, H.B.; Herrero-Martin, J.; Pellegrin, E.; Nenkov, K.; Herklotz, A.; Ernst, A.; Mertig, I.; Hu, Z.; Doerr, K.
Title Low-field switching of noncollinear spin texture at La0.7Sr0.3MnO3-SrRuO3interfaces Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 99 Issue 2 Pages 024416
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Interfaces of ferroic oxides can show complex magnetic textures which have strong impact on spintronics devices. This has been demonstrated recently for interfaces with insulating antiferromagnets such as BiFeO3. Here, noncollinear spin textures which can be switched in very low magnetic field are reported for conducting ferromagnetic bilayers of La0.7Sr0.3MnO3-SrRuO3 (LSMO-SRO). The magnetic order and switching are fundamentally different for bilayers coherently grown in reversed stacking sequence. The SRO top layer forms a persistent exchange spring which is antiferromagnetically coupled to LSMO and drives switching in low fields of a few milliteslas. Density functional theory reveals the crucial impact of the interface termination on the strength of Mn-Ru exchange coupling across the interface. The observation of an exchange spring agrees with ultrastrong coupling for the MnO2/SrO termination. Our results demonstrate low-field switching of noncollinear spin textures at an interface between conducting oxides, opening a pathway for manipulating and utilizing electron transport phenomena in controlled spin textures at oxide interfaces.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (up) 000455821400005 Publication Date 2019-01-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 19 Open Access OpenAccess
Notes ; The research in Halle was supported by Deutsche Forschungsgemeinschaft (DFG), SFB 762 Functional Oxide Interfaces (Projects No. A9 and No. B1). K.C. benefited from support of the DFG (Project 600575). Discussions with M. Trassin, M. Ziese, H. M. Christen, E.-J. Guo, F. Grcondciel, M. Bibes, and H. N. Lee are gratefully acknowledged. N. G. and J. V. acknowledge funding under the GOA project “Solarpaint” of the University of Antwerp. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:156717 Serial 5255
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Author Menezes, R.M.; Mulkers, J.; de Souza Silva, C.C.; Milošević, M.V.
Title Deflection of ferromagnetic and antiferromagnetic skyrmions at heterochiral interfaces Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 99 Issue 10 Pages 104409
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Devising magnetic nanostructures with spatially heterogeneous Dzyaloshinskii-Moriya interaction (DMI) is a promising pathway toward advanced confinement and control of magnetic skyrmions in potential devices. Here we discuss theoretically how a skyrmion interacts with a heterochiral interface using micromagnetic simulations and analytic arguments. We show that a heterochiral interface deflects the trajectory of ferromagnetic (FM) skyrmions, and that the extent of such deflection is tuned by the applied spin-polarized current and the difference in DMI across the interface. Further, we show that this deflection is characteristic of the FM skyrmion, and it is completely absent in the antiferromagnetic (AFM) case. In turn, we reveal that the AFM skyrmion achieves much higher velocities than its FM counterpart, yet experiences far stronger confinement in nanoengineered heterochiral tracks, which reinforces AFM skyrmions as a favorable choice for skyrmion-based devices.
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Publisher Place of Publication Editor
Language Wos (up) 000460720600005 Publication Date 2019-03-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 19 Open Access
Notes ; This work was supported by the Research Foundation-Flanders (FWO-Vlaanderen) and Brazilian Agencies FACEPE under Grant No. APQ-0198-1.05/14, CAPES and CNPq. ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:158557 Serial 5203
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Author Scarabelli, L.; Schumacher, M.; Jimenez de Aberasturi, D.; Merkl, J.‐P.; Henriksen‐Lacey, M.; Milagres de Oliveira, T.; Janschel, M.; Schmidtke, C.; Bals, S.; Weller, H.; Liz‐Marzán, L.M.
Title Encapsulation of Noble Metal Nanoparticles through Seeded Emulsion Polymerization as Highly Stable Plasmonic Systems Type A1 Journal article
Year 2019 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater
Volume 29 Issue 29 Pages 1809071
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The implementation of plasmonic nanoparticles in vivo remains hindered by important limitations such as biocompatibility, solubility in biological fluids, and physiological stability. A general and versatile protocol is presented, based on seeded emulsion polymerization, for the controlled encapsulation of gold and silver nanoparticles. This procedure enables the encapsulation of single nanoparticles as well as nanoparticle clusters inside a protecting polymer shell. Specifically, the efficient coating of nanoparticles of both metals is demonstrated, with final dimensions ranging between 50 and 200 nm, i.e., sizes of interest for bio-applications. Such hybrid nanocomposites display extraordinary stability in high ionic strength and oxidizing environments, along with high cellular uptake, and low cytotoxicity. Overall, the prepared nanostructures are promising candidates for plasmonic applications under biologically relevant conditions.
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Publisher Place of Publication Editor
Language Wos (up) 000467109100024 Publication Date 2019-02-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1616-301X ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited 19 Open Access OpenAccess
Notes L.S. and M.S. contributed equally to this work. This work was supported by the Spanish MINECO (Grant MAT2017-86659-R), by the German Research Foundation (DFG, Grant LA 2901/1-1) and by the European Research Council (Grant 335078 COLOURATOM to S.B). The authors acknowledge funding from the European Commission Grant (EUSMI 731019 to S.B., L.M.L.-M). L.S. acknowledges funding from the American-Italian Cancer Foundation through a Post-Doctoral Research Fellowship. D.J.d.A. thanks MINECO for a Juan de la Cierva fellowship (IJCI-2015-24264). J.P.M. was financed by Verband der Chemischen Industrie e.V. (VCI). The authors thank Dr. Artur Feld, Dr. Andreas Kornowski and Stefan Werner (Institute of Physical Chemistry, University of Hamburg) for their support. Approved Most recent IF: 12.124
Call Number EMAT @ emat @UA @ admin @ c:irua:160710 Serial 5190
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Author Joao, S.M.; Andelkovic, M.; Covaci, L.; Rappoport, T.G.; Lopes, J.M.V.P.; Ferreira, A.
Title KITE : high-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures Type A1 Journal article
Year 2020 Publication Royal Society Open Science Abbreviated Journal Roy Soc Open Sci
Volume 7 Issue 2 Pages 191809-191832
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of atomic orbitals (N similar to 10(10)). KITE's core is written in C++, with a versatile Python-based interface, and is fully optimized for shared memory multi-node CPU architectures, thus scalable, efficient and fast. At the core of KITE is a seamless spectral expansion of lattice Green's functions, which enables large-scale calculations of generic target functions with uniform convergence and fine control over energy resolution. Several functionalities are demonstrated, ranging from simulations of local density of states and photo-emission spectroscopy of disordered materials to large-scale computations of optical conductivity tensors and real-space wave-packet propagation in the presence of magneto-static fields and spin-orbit coupling. On-the-fly calculations of real-space Green's functions are carried out with an efficient domain decomposition technique, allowing KITE to achieve nearly ideal linear scaling in its multi-threading performance. Crystalline defects and disorder, including vacancies, adsorbates and charged impurity centres, can be easily set up with KITE's intuitive interface, paving the way to user-friendly large-scale quantum simulations of equilibrium and non-equilibrium properties of molecules, disordered crystals and heterostructures subject to a variety of perturbations and external conditions.
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Publisher Place of Publication Editor
Language Wos (up) 000518020200001 Publication Date 2020-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2054-5703 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.5 Times cited 19 Open Access OpenAccess
Notes ; T.G.R. and A.F. acknowledge support from the Newton Fund and the Royal Society through the Newton Advanced Fellowship scheme (ref. no. NA150043). M.A. and L.C. acknowledge support from the Trans2DTMD FlagEra project and the VSC (Flemish Supercomputer Center). A.F. acknowledges support from the Royal Society through a University Research Fellowship (ref. nos. UF130385 and URF-R-191021) and an Enhancement Award (ref. no. RGF-EA-180276). T.G.R. acknowledges the support from the Brazilian agencies CNPq and FAPERJ and COMPETE2020, PORTUGAL2020, FEDER and the Portuguese Foundation for Science and Technology (FCT) through project POCI-01-0145-FEDER-028114. S.M.J. is supported by Fundacao para a Ciencia e Tecnologia (FCT) under the grant no. PD/BD/142798/ 2018. S.M.J. and J.M.V.P.L. acknowledge financial support from the FCT, COMPETE 2020 programme in FEDER component (European Union), through projects POCI-01-0145-FEDER028887 and UID/FIS/04650/2013. S.M.J. and J.M.V.P.L. further acknowledge financial support from FCT through national funds, co-financed by COMPETE-FEDER (grant no. M-ERANET2/0002/2016 -UltraGraf) under the Partnership Agreement PT2020. ; Approved Most recent IF: 3.5; 2020 IF: 2.243
Call Number UA @ admin @ c:irua:167751 Serial 6556
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Author Bafekry, A.; Stampfl, C.; Ghergherehchi, M.
Title Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC3, /C3N and / C3N4 van der Waals heterostructures Type A1 Journal article
Year 2020 Publication Nanotechnology (Bristol. Print) Abbreviated Journal
Volume Issue Pages 295202 pp
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract In this paper, the effect of BC3, C3N and C3N4BC(3) and MoS2/C(3)N4 heterostructures are direct semiconductors with band gaps of 0.4 and 1.74 eV, respectively, while MoS2/C3N is a metal. Furthermore, the influence of strain and electric field on the electronic structure of these van der Waals heterostructures is investigated. The MoS2/BC3 heterostructure, for strains larger than -4%, transforms it into a metal where the metallic character is maintained for strains larger than -6%. The band gap decreases with increasing strain to 0.35 eV (at +2%), while for strain (>+6%) a direct-indirect band gap transition is predicted to occur. For the MoS2/C3N heterostructure, the metallic character persists for all strains considered. On applying an electric field, the electronic properties of MoS2/C3N4 are modified and its band gap decreases as the electric field increases. Interestingly, the band gap reaches 30 meV at +0.8 V/angstrom, and with increase above +0.8 V/angstrom, a semiconductor-to-metal transition occurs. Furthermore, we investigated effects of semi- and full-hydrogenation of MoS2/C3N and we found that it leads to a metallic and semiconducting character, respectively.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (up) 000532366000001 Publication Date 2020-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 0957-4484 Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 19 Open Access
Notes ; This work has supported by the National Research Foundation of Korea(NRF) grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:169523 Serial 6444
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Author Chen, B.; Gauquelin, N.; Green, R.J.; Lee, J.H.; Piamonteze, C.; Spreitzer, M.; Jannis, D.; Verbeeck, J.; Bibes, M.; Huijben, M.; Rijnders, G.; Koster, G.
Title Spatially controlled octahedral rotations and metal-insulator transitions in nickelate superlattices Type A1 Journal article
Year 2021 Publication Nano Letters Abbreviated Journal Nano Lett
Volume 21 Issue 3 Pages 1295-1302
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The properties of correlated oxides can be manipulated by forming short-period superlattices since the layer thicknesses are comparable with the typical length scales of the involved correlations and interface effects. Herein, we studied the metal-insulator transitions (MITs) in tetragonal NdNiO3/SrTiO3 superlattices by controlling the NdNiO3 layer thickness, n in the unit cell, spanning the length scale of the interfacial octahedral coupling. Scanning transmission electron microscopy reveals a crossover from a modulated octahedral superstructure at n = 8 to a uniform nontilt pattern at n = 4, accompanied by a drastically weakened insulating ground state. Upon further reducing n the predominant dimensionality effect continuously raises the MIT temperature, while leaving the antiferromagnetic transition temperature unaltered down to n = 2. Remarkably, the MIT can be enhanced by imposing a sufficiently large strain even with strongly suppressed octahedral rotations. Our results demonstrate the relevance for the control of oxide functionalities at reduced dimensions.
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Publisher Place of Publication Editor
Language Wos (up) 000619638600014 Publication Date 2021-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited 19 Open Access OpenAccess
Notes This work is supported by the international M-ERA.NET project SIOX (project 4288). J.V. and N.G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. D.J. acknowledges funding from FWO Project G093417N from the Flemish fund for scientific research. M.S. acknowledges funding from Slovenian Research Agency (Grants J2-9237 and P2-0091). R.J.G. acknowledges funding from the Natural Sciences and Engineering Research Council of Canada (NSERC). Part of the research described in this paper was performed at the Canadian Light Source, a national research facility of the University of Saskatchewan, which is supported by the Canada Foundation for Innovation (CFI), NSERC, the National Research Council (NRC), the Canadian Institutes of Health Research (CIHR), the Government of Saskatchewan, and the University of Saskatchewan. This work received support from the ERC CoG MINT (No. 615759) and from a PHC Van Gogh grant. M.B. thanks the French Academy of Science and the Royal Netherlands Academy of Arts and Sciences for supporting his stays in The Netherlands. This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No. 823717 -ESTEEM3. Approved Most recent IF: 12.712
Call Number UA @ admin @ c:irua:176753 Serial 6736
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Author Gorbanev, Y.; Engelmann, Y.; van’t Veer, K.; Vlasov, E.; Ndayirinde, C.; Yi, Y.; Bals, S.; Bogaerts, A.
Title Al2O3-Supported Transition Metals for Plasma-Catalytic NH3 Synthesis in a DBD Plasma: Metal Activity and Insights into Mechanisms Type A1 Journal article
Year 2021 Publication Catalysts Abbreviated Journal Catalysts
Volume 11 Issue 10 Pages 1230
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT)
Abstract N2 fixation into NH3 is one of the main processes in the chemical industry. Plasma catalysis is among the environmentally friendly alternatives to the industrial energy-intensive Haber-Bosch process. However, many questions remain open, such as the applicability of the conventional catalytic knowledge to plasma. In this work, we studied the performance of Al2O3-supported Fe, Ru, Co and Cu catalysts in plasma-catalytic NH3 synthesis in a DBD reactor. We investigated the effects of different active metals, and different ratios of the feed gas components, on the concentration and production rate of NH3, and the energy consumption of the plasma system. The results show that the trend of the metal activity (common for thermal catalysis) does not appear in the case of plasma catalysis: here, all metals exhibited similar performance. These findings are in good agreement with our recently published microkinetic model. This highlights the virtual independence of NH3 production on the metal catalyst material, thus validating the model and indicating the potential contribution of radical adsorption and Eley-Rideal reactions to the plasma-catalytic mechanism of NH3 synthesis.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (up) 000715656300001 Publication Date 2021-10-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2073-4344 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.082 Times cited 19 Open Access OpenAccess
Notes Catalisti, Moonshot P2C ; Research Foundation – Flanders, GoF9618n ; European Research Council, 810182 SCOPE 815128 REALNANO ; sygmaSB Approved Most recent IF: 3.082
Call Number EMAT @ emat @c:irua:183279 Serial 6815
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Author van Grieken, R.; Gijbels, R.; Speecke, A.; Hoste, J.
Title The determination of silicon in steel by 14-mev neutron activation analysis Type A1 Journal article
Year 1968 Publication Analytica chimica acta Abbreviated Journal Anal Chim Acta
Volume 43 Issue Pages 199-209
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract A fast (25 min) non-destructive determination of silicon in steel by 14-MeV neutron activation is described. The 1.78-MeV 28Al activity, induced by the reaction 28Si(n,p)28Al, is counted on a NaI(Tl) detector. An oxygen flux monitor is used to normalise to the same neutron flux. Two methods are described to correct for the 56Mn activity (2.58 h), induced into the iron matrix via 56Fe(n,p)56Mn. Nuclear interferences of phosphorus and aluminium have been examined. Special attention has been paid to stainless steels. A sensitivity of 0.02 to 0.05% of silicon is obtained. The precision is 2 to 3% for steels containing above 1% silicon, and 7% for 0.1% of silicon.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos (up) A1968C007600004 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2670; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.513 Times cited 19 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:116357 Serial 673
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Author van Heurck, C.; Van Tendeloo, G.; Amelinckx, S.
Title The modulated structure in the melilite CA2ZnGe2O7 Type A1 Journal article
Year 1992 Publication Physics and chemistry of minerals Abbreviated Journal Phys Chem Miner
Volume 8 Issue Pages 441-452
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos (up) A1992HM23200005 Publication Date 2004-08-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0342-1791;1432-2021; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.538 Times cited 19 Open Access
Notes Approved CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #
Call Number UA @ lucian @ c:irua:4438 Serial 2164
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Author Verbist, G.; Peeters, F.M.; Devreese, J.T.
Title Extended stability region for large bipolarons through interaction with multiple phonon branches Type A1 Journal article
Year 1992 Publication Ferroelectrics Abbreviated Journal Ferroelectrics
Volume 130 Issue 1-3 Pages 27-34
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract The large (bi)polaron is investigated for the case where the electron interacts with multiple LO-phonon branches. Explicit expressions for the groundstate energy and the effective mass are obtained within the Feynman polaron model approximation and they are applied to the material SrTiO3. The results of an effective LO-phonon branch approximation are compared with the results in which all LO-phonon branches are explicitly included. We show how the stability region for large bipolaron formation is enlarged when the electrons interact with multiple LO-phonon branches. The possible relevance of this result for the high-T(c) superconductors is pointed out.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos (up) A1992JV42600004 Publication Date 2011-03-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0015-0193;1563-5112; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.469 Times cited 19 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:103065 Serial 1157
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Author Bontchev, R.; Darriet, B.; Darriet, J.; Weill, F.; Van Tendeloo, G.; Amelinckx, S.
Title New cation deficient perovskite-like oxides in the system La4Ti3O12-LaTiO3 Type A1 Journal article
Year 1993 Publication European journal of solid state and inorganic chemistry Abbreviated Journal
Volume 30 Issue Pages 521-537
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos (up) A1993LH73600003 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0992-4361 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 19 Open Access
Notes Approved CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 #
Call Number UA @ lucian @ c:irua:6834 Serial 2307
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Author Martin, J.M.L.; Slanina, Z.; François, J.P.; Gijbels, R.
Title The structure, energetics, and harmonic vibrations of B3N and BN3 Type A1 Journal article
Year 1994 Publication Molecular physics Abbreviated Journal Mol Phys
Volume 82 Issue Pages 155-164
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos (up) A1994NN66200010 Publication Date 2006-04-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-8976;1362-3028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.72 Times cited 19 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:10254 Serial 3303
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Author Schryvers, D.; Ma, Y.
Title The growth of Ni5Al3 in L10 martensite studied by in situ transmission electron microscopy and high resolution electron microscopy Type A1 Journal article
Year 1995 Publication Journal of alloys and compounds Abbreviated Journal J Alloy Compd
Volume 221 Issue Pages 227-234
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos (up) A1995QZ73800044 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-8388; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.999 Times cited 19 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:13169 Serial 1397
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Author Martin, J.M.L.; El-Yazal, J.; François, J.P.; Gijbels, R.
Title The structure and energetics of B3N2, B2N3, and BN4: symmetry breaking effects in B3N2 Type A1 Journal article
Year 1995 Publication Molecular physics Abbreviated Journal Mol Phys
Volume 85 Issue Pages 527-537
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos (up) A1995RM01600007 Publication Date 2006-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-8976;1362-3028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.72 Times cited 19 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:12279 Serial 3276
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Author Groat, L.A.; Kek, S.; Bismayer, U.; Schmidt, C.; Krane, H.G.; Meyer, H.; Nistor, L.; Van Tendeloo, G.
Title A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman spectroscopic study of malayaite, CaSnSiO5 Type A1 Journal article
Year 1996 Publication The American mineralogist Abbreviated Journal Am Mineral
Volume 81 Issue 5/6 Pages 595-602
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Synchrotron radiation, high-resolution transmission electron microscopy (HRTEM), X-ray powder diffraction, and Raman spectroscopy were used to study the structure and thermal behavior of malayaite, CaSnSiO5. No indications of deviation from A2/a symmetry and no structural transitions were observed between 100 and 870 K. HRTEM revealed that the material is free of domains and antiphase boundaries. However, the lattice constants, cell volume, and Raman-active phonons show a thermal discontinuity near 500 K, which is possibly related to variation of the coordination sphere around the highly anisotropic Ca position.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos (up) A1996UP41100006 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-004x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.964 Times cited 19 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:16862 Serial 3407
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