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Author | Petrov, M.; Bekaert, J.; Milošević, M.V. | ||||
Title | Superconductivity in gallenene | Type | A1 Journal article | ||
Year | 2021 | Publication ![]() |
2d Materials | Abbreviated Journal | 2D Mater |
Volume | 8 | Issue | 3 | Pages | 035056 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Among the large variety of two-dimensional (2D) materials discovered to date, elemental monolayers that host superconductivity are very rare. Using ab initio calculations we show that recently synthesized gallium monolayers, coined gallenene, are intrinsically superconducting through electron-phonon coupling. We reveal that Ga-100 gallenene, a planar monolayer isostructural with graphene, is the structurally simplest 2D superconductor to date, furthermore hosting topological edge states due to its honeycomb structure. Our anisotropic Eliashberg calculations show distinctly three-gap superconductivity in Ga-100, in contrast to the alternative buckled Ga-010 gallenene which presents a single anisotropic superconducting gap. Strikingly, the critical temperature (T ( c )) of gallenene is in the range of 7-10 K, exceeding the T ( c ) of bulk gallium from which it is exfoliated. Finally we explore chemical functionalization of gallenene with hydrogen, and report induced multigap superconductivity with an enhanced T ( c ) in the resulting gallenane compound. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000667458500001 | Publication Date | 2021-06-01 | |
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 | 8 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 6.937 | |||
Call Number | UA @ admin @ c:irua:179623 | Serial | 7025 | ||
Permanent link to this record | |||||
Author | Lavor, I.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B. | ||||
Title | Tunable coupling of terahertz Dirac plasmons and phonons in transition metal dichalcogenide-based van der Waals heterostructures | Type | A1 Journal article | ||
Year | 2021 | Publication ![]() |
2d Materials | Abbreviated Journal | 2D Mater |
Volume | Issue | Pages | 015018 | ||
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Dirac plasmons in graphene hybridize with phonons of transition metal dichalcogenides (TMDs) when the materials are combined in so-called van der Waals heterostructures (vdWh), thus forming surface plasmon-phonon polaritons (SPPPs). The extend to which these modes are coupled depends on the TMD composition and structure, but also on the plasmons' properties. By performing realistic simulations that account for the contribution of each layer of the vdWh separately, we calculate how the strength of plasmon-phonon coupling depends on the number and composition of TMD layers, on the graphene Fermi energy and the specific phonon mode. From this, we present a semiclassical theory that is capable of capturing all relevant characteristics of the SPPPs. We find that it is possible to realize both strong and ultra-strong coupling regimes by tuning graphene's Fermi energy and changing TMD layer number. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000722020100001 | Publication Date | 2021-11-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2053-1583 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 6.937 | Times cited | 1 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 6.937 | |||
Call Number | UA @ admin @ c:irua:183053 | Serial | 7036 | ||
Permanent link to this record | |||||
Author | Chaves, A.; Covaci, L.; Peeters, F.M.; Milošević, M.V. | ||||
Title | Topologically protected moiré exciton at a twist-boundary in a van der Waals heterostructure | Type | A1 Journal article | ||
Year | 2022 | Publication ![]() |
2D materials | Abbreviated Journal | 2D Mater |
Volume | 9 | Issue | 2 | Pages | 025012 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | A twin boundary in one of the layers of a twisted van der Waals heterostructure separates regions with near opposite inter-layer twist angles. In a MoS<sub>2</sub>/WSe<sub>2</sub>bilayer, the regions with<inline-formula><tex-math><?CDATA $Rh^h$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>h</mi></msubsup></math><inline-graphic href=“tdmac529dieqn1.gif” type=“simple” /></inline-formula>and<inline-formula><tex-math><?CDATA $Rh^X$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>X</mi></msubsup></math><inline-graphic href=“tdmac529dieqn2.gif” type=“simple” /></inline-formula>stacking registry that defined the sub-lattices of the moiré honeycomb pattern would be mirror-reflected across such a twist boundary. In that case, we demonstrate that topologically protected chiral moiré exciton states are confined at the twist boundary. These are one-dimensional and uni-directional excitons with opposite velocities for excitons composed by electronic states with opposite valley/spin character, enabling intrinsic, guided, and far reaching valley-polarized exciton currents. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000760518100001 | Publication Date | 2022-04-01 | |
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 | 5.5 | Times cited | 3 | Open Access | OpenAccess |
Notes | Fonds Wetenschappelijk Onderzoek; Conselho Nacional de Desenvolvimento Científico e Tecnológico, PQ ; | Approved | Most recent IF: 5.5 | ||
Call Number | CMT @ cmt @c:irua:187124 | Serial | 7046 | ||
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Author | Menezes, R.M.; Šabani, D.; Bacaksiz, C.; de Souza Silva, C.C.; Milošević, M.V. | ||||
Title | Tailoring high-frequency magnonics in monolayer chromium trihalides | Type | A1 Journal article | ||
Year | 2022 | Publication ![]() |
2D materials | Abbreviated Journal | 2D Mater |
Volume | 9 | Issue | 2 | Pages | 025021 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Monolayer chromium-trihalides, the archetypal two-dimensional (2D) magnetic materials, are readily suggested as a promising platform for high-frequency magnonics. Here we detail the spin-wave properties of monolayer CrBr<sub>3</sub>and CrI<sub>3</sub>, using spin-dynamics simulations parametrized from the first principles. We reveal that spin-wave dispersion can be tuned in a broad range of frequencies by strain, paving the way towards flexo-magnonic applications. We further show that ever-present halide vacancies in these monolayers host sufficiently strong Dzyaloshinskii-Moriya interaction to scatter spin-waves, which promotes design of spin-wave guides by defect engineering. Finally we discuss the spectra of spin-waves propagating across a moiré-periodic modulation of magnetic parameters in a van der Waals heterobilayer, and show that the nanoscale moiré periodicities in such samples are ideal for realization of a magnonic crystal in the terahertz frequency range. Recalling the additional tunability of magnetic 2D materials by electronic gating, our results situate these systems among the front-runners for prospective high-frequency magnonic applications. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000771735500001 | Publication Date | 2022-04-01 | |
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 | 5.5 | Times cited | Open Access | OpenAccess | |
Notes | Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco; Special Research Funds of the University of Antwerp; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Fonds Wetenschappelijk Onderzoek; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; | Approved | Most recent IF: 5.5 | ||
Call Number | CMT @ cmt @c:irua:187125 | Serial | 7048 | ||
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Author | Hofer, C.; Mustonen, K.; Skakalova, V.; Pennycook, T.J. | ||||
Title | Picometer-precision few-tilt ptychotomography of 2D materials | Type | A1 Journal article | ||
Year | 2023 | Publication ![]() |
2D materials | Abbreviated Journal | |
Volume | 10 | Issue | 3 | Pages | 035029-7 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | From ripples to defects, edges and grain boundaries, the 3D atomic structure of 2D materials is critical to their properties. However the damage inflicted by conventional 3D analysis precludes its use with fragile 2D materials, particularly for the analysis of local defects. Here we dramatically increase the potential for precise local 3D atomic structure analysis of 2D materials, with both greatly improved dose efficiency and sensitivity to light elements. We demonstrate light atoms can now be located in complex 2D materials with picometer precision at doses 30 times lower than previously possible. Moreover we demonstrate this using WS2, in which the light atoms are practically invisible to conventional methods at low doses. The key advance is combining the concept of few tilt tomography with highly dose efficient ptychography in scanning transmission electron microscopy. We further demonstrate the method experimentally with the even more challenging and newly discovered 2D CuI, leveraging a new extremely high temporal resolution camera. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001013151600001 | Publication Date | 2023-06-12 | |
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 | 5.5 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 5.5; 2023 IF: 6.937 | |||
Call Number | UA @ admin @ c:irua:197809 | Serial | 8915 | ||
Permanent link to this record | |||||
Author | Yorulmaz, U.; Šabani, D.; Sevik, C.; Milošević, M.V. | ||||
Title | Goodenough-Kanamori-Anderson high-temperature ferromagnetism in tetragonal transition-metal xenes | Type | A1 Journal article | ||
Year | 2024 | Publication ![]() |
2D materials | Abbreviated Journal | |
Volume | 11 | Issue | 3 | Pages | 035013-10 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Seminal Goodenough-Kanamori-Anderson (GKA) rules provide an inceptive understanding of the superexchange interaction of two magnetic metal ions bridged with an anion, and suggest fostered ferromagnetic interaction for orthogonal bridging bonds. However, there are no examples of two-dimensional (2D) materials with structure that optimizes the GKA arguments towards enhanced ferromagnetism and its critical temperature. Here we reveal that an ideally planar GKA ferromagnetism is indeed stable in selected tetragonal transition-metal xenes (tTMXs), with Curie temperature above 300 K found in CrC and MnC. We provide the general orbitally-resolved analysis of magnetic interactions that supports the claims and sheds light at the mechanisms dominating the magnetic exchange process in these structures. Furthermore, we propose the set of three GKA-like rules that will guarantee room temperature ferromagetnism. With recent advent of epitaxially-grown tetragonal 2D materials, our findings earmark tTMXs for facilitated spintronic and magnonic applications, or as a desirable magnetic constituent of functional 2D heterostructures. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001208053200001 | Publication Date | 2024-04-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2053-1583 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 5.5 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 5.5; 2024 IF: 6.937 | |||
Call Number | UA @ admin @ c:irua:205464 | Serial | 9153 | ||
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Author | Gielis, J.; Tavkhelidze, I. | ||||
Title | The general case of cutting of Generalized Möbius-Listing surfaces and bodies | Type | A1 Journal article | ||
Year | 2020 | Publication ![]() |
4Open | Abbreviated Journal | |
Volume | 3 | Issue | Pages | 7-48 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | The original motivation to study Generalized Möbius-Listing GML surfaces and bodies was the observation that the solution of boundary value problems greatly depends on the domains. Since around 2010 GML’s were merged with (continuous) Gielis Transformations, which provide a unifying description of geometrical shapes, as a generalization of the Pythagorean Theorem. The resulting geometrical objects can be used for modeling a wide range of natural shapes and phenomena. The cutting of GML bodies and surfaces, with the Möbius strip as one special case, is related to the field of knots and links, and classifications were obtained for GML with cross sectional symmetry of 2, 3, 4, 5 and 6. The general case of cutting GML bodies and surfaces, in particular the number of ways of cutting, could be solved by reducing the 3D problem to planar geometry. This also unveiled a range of connections with topology, combinatorics, elasticity theory and theoretical physics. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2020-08-31 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2557-0250 | ISBN | Additional Links | UA library record | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:174471 | Serial | 7992 | ||
Permanent link to this record | |||||
Author | Khalilov, U.; Bogaerts, A.; Neyts, E.C. | ||||
Title | Toward the Understanding of Selective Si Nano-Oxidation by Atomic Scale Simulations | Type | A1 Journal article | ||
Year | 2017 | Publication ![]() |
Accounts of chemical research | Abbreviated Journal | Accounts Chem Res |
Volume | 50 | Issue | 50 | Pages | 796-804 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The continuous miniaturization of nanodevices, such as transistors, solar cells, and optical fibers, requires the controlled synthesis of (ultra)thin gate oxides (<10 nm), including Si gate-oxide (SiO2) with high quality at the atomic scale. Traditional thermal growth of SiO2 on planar Si surfaces, however, does not allow one to obtain such ultrathin oxide due to either the high oxygen diffusivity at high temperature or the very low sticking ability of incident oxygen at low temperature. Two recent techniques, both operative at low (room) temperature, have been put forward to overcome these obstacles: (i) hyperthermal oxidation of planar Si surfaces and (ii) thermal or plasma-assisted oxidation of nonplanar Si surfaces, including Si nanowires (SiNWs). These nanooxidation processes are, however, often difficult to study experimentally, due to the key intermediate processes taking place on the nanosecond time scale. In this Account, these Si nano-oxidation techniques are discussed from a computational point of view and compared to both hyperthermal and thermal oxidation experiments, as well as to well-known models of thermal oxidation, including the Deal−Grove, Cabrera−Mott, and Kao models and several alternative mechanisms. In our studies, we use reactive molecular dynamics (MD) and hybrid MD/Monte Carlo simulation techniques, applying the Reax force field. The incident energy of oxygen species is chosen in the range of 1−5 eV in hyperthermal oxidation of planar Si surfaces in order to prevent energy-induced damage. It turns out that hyperthermal growth allows for two growth modes, where the ultrathin oxide thickness depends on either (1) only the kinetic energy of the incident oxygen species at a growth temperature below Ttrans = 600 K, or (2) both the incident energy and the growth temperature at a growth temperature above Ttrans. These modes are specific to such ultrathin oxides, and are not observed in traditional thermal oxidation, nor theoretically considered by already existing models. In the case of thermal or plasma-assisted oxidation of small Si nanowires, on the other hand, the thickness of the ultrathin oxide is a function of the growth temperature and the nanowire diameter. Below Ttrans, which varies with the nanowire diameter, partially oxidized SiNW are formed, whereas complete oxidation to a SiO2 nanowire occurs only above Ttrans. In both nano-oxidation processes at lower temperature (T < Ttrans), final sandwich c-Si|SiOx|a-SiO2 structures are obtained due to a competition between overcoming the energy barrier to penetrate into Si subsurface layers and the compressive stress (∼2−3 GPa) at the Si crystal/oxide interface. The overall atomic-simulation results strongly indicate that the thickness of the intermediate SiOx (x < 2) region is very limited (∼0.5 nm) and constant irrespective of oxidation parameters. Thus, control over the ultrathin SiO2 thickness with good quality is indeed possible by accurately tuning the oxidant energy, oxidation temperature and surface curvature. In general, we discuss and put in perspective these two oxidation mechanisms for obtaining controllable ultrathin gate-oxide films, offering a new route toward the fabrication of nanodevices via selective nano-oxidation. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000399859800016 | Publication Date | 2017-04-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0001-4842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 20.268 | Times cited | 5 | Open Access | OpenAccess |
Notes | Fonds Wetenschappelijk Onderzoek, 12M1315N ; | Approved | Most recent IF: 20.268 | ||
Call Number | PLASMANT @ plasmant @ c:irua:142638 | Serial | 4561 | ||
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Author | Janssens, K.; Dik, J.; Cotte, M.; Susini, J. | ||||
Title | Photon-based techniques for nondestructive subsurface analysis of painted cultural heritage artifacts | Type | A1 Journal article | ||
Year | 2010 | Publication ![]() |
Accounts of chemical research | Abbreviated Journal | Accounts Chem Res |
Volume | 43 | Issue | 6 | Pages | 814-825 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Often, just micrometers below a paintings surface lies a wealth of information, both with Old Masters such as Peter Paul Rubens and Rembrandt van Rijn and with more recent artists of great renown such as Vincent Van Gogh and James Ensor. Subsurface layers may include underdrawing, underpainting, and alterations, and in a growing number of cases conservators have discovered abandoned compositions on paintings, illustrating artists practice of reusing a canvas or panel. The standard methods for studying the inner structure of cultural heritage (CH) artifacts are infrared reflectography and X-ray radiography, techniques that are optionally complemented with the microscopic analysis of cross-sectioned samples. These methods have limitations, but recently, a number of fundamentally new approaches for fully imaging the buildup of hidden paint layers and other complex three-dimensional (3D) substructures have been put into practice. In this Account, we discuss these developments and their recent practical application with CH artifacts. We begin with a tabular summary of 14 IR- and X-ray-based imaging methods and then continue with a discussion of each technique, illustrating CH applications with specific case studies. X-ray-based tomographic and laminographic techniques can be used to generate 3D renditions of artifacts of varying dimensions. These methods are proving invaluable for exploring inner structures, identifying the conservation state, and postulating the original manufacturing technology of metallic and other sculptures. In the analysis of paint layers, terahertz time-domain spectroscopy (THz-TDS) can highlight interfaces between layers in a stratigraphic buildup, whereas macrosopic scanning X-ray fluorescence (MA-XRF) has been employed to measure the distribution of pigments within these layers. This combination of innovative methods provides topographic and color information about the micrometer depth scale, allowing us to look into paintings in an entirely new manner. Over the past five years, several new variants of traditional IR- and X-ray-based imaging methods have been implemented by conservators and museums, and the first reports have begun to emerge in the primary research literature. Applying these state-of-the-art techniques in a complementary fashion affords a more comprehensive view of paintings and other artworks. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000278842500013 | Publication Date | 2010-05-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0001-4842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 20.268 | Times cited | 78 | Open Access | |
Notes | ; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of FWO (Brussels, Belgium) projects nr. G.0704.08 and G.0179.09 and from the UA-BOF GOA programme. ; | Approved | Most recent IF: 20.268; 2010 IF: 21.852 | ||
Call Number | UA @ admin @ c:irua:83983 | Serial | 5772 | ||
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Author | Cotte, M.; Susini, J.; Dik, J.; Janssens, K. | ||||
Title | Synchrotron-based X-ray absorption spectroscopy for art conservation: looking back and looking forward | Type | A1 Journal article | ||
Year | 2010 | Publication ![]() |
Accounts of chemical research | Abbreviated Journal | Accounts Chem Res |
Volume | 43 | Issue | 6 | Pages | 705-714 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | A variety of analytical techniques augmented by the use of synchrotron radiation (SR), such as X-ray fluorescence (SR-XRF) and X-ray diffraction (SR-XRD), are now readily available, and they differ little, conceptually, from their common laboratory counterparts. Because of numerous advantages afforded by SR-based techniques over benchtop versions, however, SR methods have become popular with archaeologists, art historians, curators, and other researchers in the field of cultural heritage (CH). Although the CH community now commonly uses both SR-XRF and SR-XRD, the use of synchrotron-based X-ray absorption spectroscopy (SR-XAS) techniques remains marginal, mostly because CH specialists rarely interact with SR physicists. In this Account, we examine the basic principles and capabilities of XAS techniques in art preservation. XAS techniques offer a combination of features particularly well-suited for the chemical analysis of works of art. The methods are noninvasive, have low detection limits, afford high lateral resolution, and provide exceptional chemical sensitivity. These characteristics are highly desirable for the chemical characterization of precious, heterogeneous, and complex materials. In particular, the chemical mapping capability, with high spatial resolution that provides information about local composition and chemical states, even for trace elements, is a unique asset. The chemistry involved in both the objects history (that is, during fabrication) and future (that is, during preservation and restoration treatments) can be addressed by XAS. On the one hand, many studies seek to explain optical effects occurring in historical glasses or ceramics by probing the molecular environment of relevant chromophores. Hence, XAS can provide insight into craft skills that were mastered years, decades, or centuries ago but were lost over the course of time. On the other hand, XAS can also be used to characterize unwanted reactions, which are then considered alteration phenomena and can dramatically alter the objects original visual properties. In such cases, the bulk elemental composition is usually unchanged. Hence, monitoring oxidation state (or, more generally, other chemical modifications) can be of great importance. Recent applications of XAS in art conservation are reviewed and new trends are discussed, highlighting the value (and future possibilities) of XAS, which remains, given its potential, underutilized in the CH community. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000278842500003 | Publication Date | 2010-01-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0001-4842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 20.268 | Times cited | 74 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 20.268; 2010 IF: 21.852 | ||
Call Number | UA @ admin @ c:irua:83982 | Serial | 5861 | ||
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Author | Albrecht, W.; Van Aert, S.; Bals, S. | ||||
Title | Three-Dimensional Nanoparticle Transformations Captured by an Electron Microscope | Type | A1 Journal article | ||
Year | 2021 | Publication ![]() |
Accounts Of Chemical Research | Abbreviated Journal | Accounts Chem Res |
Volume | 54 | Issue | 5 | Pages | 1189-1199 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000626269900011 | Publication Date | 2021-03-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0001-4842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 20.268 | Times cited | 12 | Open Access | OpenAccess |
Notes | The authors acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128–REALNANO and No. 770887–PICOMETRICS), the Research Foundation Flanders (FWO, G.0267.18N), and the European Commission (EUSMI). The authors furthermore acknowledge funding from the European Union’s Horizon 2020 research and innovation program, ESTEEM3. The authors also acknowledge contributions from all co-workers that have contributed over the years: Thomas Altantzis, Annick De Backer, Joost Batenburg and co-workers, Armand Béché, Eva Bladt, Lewys Jones and co-workers, Luis Liz-Marzán and co-workers, Ivan Lobato, Thais Milagres de Oliveira, Peter Nellist and co-workers, Hugo Pérez Garza and co-workers, Alexander Skorikov, Sara Skrabalak and co-workers, Sandra Van Aert, Alfons van Blaaderen and co-workers, Hans Vanrompay, Staf Van Tendeloo, and Johan Verbeeck.; sygmaSB; | Approved | Most recent IF: 20.268 | ||
Call Number | EMAT @ emat @c:irua:177644 | Serial | 6752 | ||
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Author | Mosquera, J.; Wang, D.; Bals, S.; Liz-Marzan, L.M. | ||||
Title | Surfactant layers on gold nanorods | Type | A1 Journal article | ||
Year | 2023 | Publication ![]() |
Accounts of chemical research | Abbreviated Journal | |
Volume | 56 | Issue | 10 | Pages | 1204-1212 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Gold nanorods (Au NRs) are an exceptionally promising tool in nanotechnology due to three key factors: (i) their strong interaction with electromagnetic radiation, stemming from their plasmonic nature, (ii) the ease with which the resonance frequency of their longitudinal plasmon mode can be tuned from the visible to the near-infrared region of the electromagnetic spect r u m based on their aspect ratio, and (iii) their simple and cost-effective preparation through seed-mediated chemical growth. In this synthetic method, surfactants play a critical role in controlling the size, shape, and colloidal stabi l i t y of Au NRs. For example, surfactants can stabilize specific crystallographic facets during the formation of Au NRs, leading to t h e formation of NRs with specific morphologies. The process of surfactant adsorption onto the NR surface may result in various assemblies of surfactant molecules, such as spherical micelles, elongated micelles, or bilayers. Again, the assembly mode is critical toward determining the further availabi l i t y of the Au NR surface to the surrounding medium. Despite its importance and a great deal of research effort, the interaction between Au NPs and surfactants remains insufficiently understood, because the assembly process is influenced by numerous factors, including the chemical nature of the surfactant, the surface morphology of Au NPs, and solution parameters. Therefore, gaining a more comprehensive understanding of these interactions is essential to unlock the full potential of the seed-mediated growth method and the applications of plasmonic NPs. A plethora of characterization techniques have been applied to reach such an understanding , but many open questions remain. In this Account, we review the current knowledge on the interactions between surfactants and Au NRs. We briefly introduce the state-of-the-art methods for synthesizing Au NRs and highlight the crucial role of cationic surfactants during this process. The self-assembly and organization of surfactants on the Au NR surface is then discussed to better understand their role in seed-mediated growth. Subsequently, we provide examples and elucidate how chemical additives can be used to modulate micellar assemblies, in turn allowing for a finer control over the growth of Au NRs, including chiral NRs. Next, we review the main experimental characterization and computational modeling techniques that have been applied to shed light on the arrangement of surfactants on Au NRs and summarize the advantages and disadvantages for each technique. The Account ends with a “Conclusions and Outlook” section, outlining promising future research directions and developments that we consider are sti l l required, mostly related to the application of electron microscopy in liquid and in 3D. Finally, we remark on the potential of exploiting machine learning techniques to predict synthetic routes for NPs with predefined structures and properties. | ||||
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Language | Wos | 000986447000001 | Publication Date | 2023-05-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0001-4842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 18.3 | Times cited | 8 | Open Access | OpenAccess |
Notes | The authors acknowledge financial support by the European Research Council (ERC CoG No. 815128 REALNANO to S.B.; ERC AdG No. 787510, 4DbioSERS to L.M.L.-M.) , from MCIN/AEI/10.13039/501100011033 and “ESF Investing in your future” (Grant PID2020-117779RB-I00 to L.M.L.-M. and Grants RYC2019-027842-I , PID2020-117885GA-I00 to J.M.) , and by Guangdong Provincial Key Laboratory of Optical Information Materials and Technology (No. 2017B030301007) , National Center for International Research on Green Optoelectronics (No. 2016B01018) , MOE Interna-tional Laboratory for Optical Information Technologies, and the 111 projects. | Approved | Most recent IF: 18.3; 2023 IF: 20.268 | ||
Call Number | UA @ admin @ c:irua:196768 | Serial | 8940 | ||
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Author | Osella, S.; Knippenberg, S. | ||||
Title | Laurdan as a molecular rotor in biological environments | Type | A1 Journal article | ||
Year | 2019 | Publication ![]() |
ACS applied bio materials | Abbreviated Journal | |
Volume | 2 | Issue | 12 | Pages | 5769-5778 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Laurdan is one of the most used fluorescent probes for lipid membrane phase recognition. Despite its wide use for optical techniques and its versatility as a solvatochromic probe, little is known regarding its use as molecular rotor, for which clear evidence is found in the current study. Although recent computational and experimental studies suggest the existence of two stable conformations of laurdan in different membrane phases, it is difficult to experimentally probe their prevalence. By means of multiscale computational approaches, we prove now that this information can be obtained through the optical properties of the two conformers, ranging from one-photon absorption over two-photon absorption to the first hyperpolarizability. Fluorescence decay and anisotropy analyses are performed as well and stress the importance of laurdan's conformational versatility. As a molecular rotor and with reference to the distinct properties of its conformers, laurdan can be used to probe biochemical processes that change the lipid orders in cell membranes. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000616372300047 | Publication Date | 2019-11-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2576-6422 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:180356 | Serial | 8166 | ||
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Author | Poulain, R.; Lumbeeck, G.; Hunka, J.; Proost, J.; Savolainen, H.; Idrissi, H.; Schryvers, D.; Gauquelin, N.; Klein, A. | ||||
Title | Electronic and chemical properties of nickel oxide thin films and the intrinsic defects compensation mechanism | Type | A1 Journal article | ||
Year | 2022 | Publication ![]() |
ACS applied electronic materials | Abbreviated Journal | |
Volume | 4 | Issue | 6 | Pages | 2718-2728 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Although largely studied, contradictory results on nickel oxide (NiO) properties can be found in the literature. We herein propose a comprehensive study that aims at leveling contradictions related to NiO materials with a focus on its conductivity, surface properties, and the intrinsic charge defects compensation mechanism with regards to the conditions preparation. The experiments were performed by in situ photo-electron spectroscopy, electron energy loss spectroscopy, and optical as well as electrical measurements on polycrystalline NiO thin films prepared under various preparation conditions by reactive sputtering. The results show that surface and bulk properties were strongly related to the deposition temperature with in particular the observation of Fermi level pinning, high work function, and unstable oxygen-rich grain boundaries for the thin films produced at room temperature but not at high temperature (>200 degrees C). Finally, this study provides substantial information about surface and bulk NiO properties enabling to unveil the origin of the high electrical conductivity of room temperature NiO thin films and also for supporting a general electronic charge compensation mechanism of intrinsic defects according to the deposition temperature. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000819431200001 | Publication Date | 2022-06-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2637-6113 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | Not_Open_Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:189555 | Serial | 7081 | ||
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Author | Birkholzer, Y.A.; Sotthewes, K.; Gauquelin, N.; Riekehr, L.; Jannis, D.; van der Minne, E.; Bu, Y.; Verbeeck, J.; Zandvliet, H.J.W.; Koster, G.; Rijnders, G. | ||||
Title | High-strain-induced local modification of the electronic properties of VO₂ thin films | Type | A1 Journal article | ||
Year | 2022 | Publication ![]() |
ACS applied electronic materials | Abbreviated Journal | |
Volume | 4 | Issue | 12 | Pages | 6020-6028 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Vanadium dioxide (VO2) is a popular candidate for electronic and optical switching applications due to its well-known semiconductor-metal transition. Its study is notoriously challenging due to the interplay of long- and short-range elastic distortions, as well as the symmetry change and the electronic structure changes. The inherent coupling of lattice and electronic degrees of freedom opens the avenue toward mechanical actuation of single domains. In this work, we show that we can manipulate and monitor the reversible semiconductor-to-metal transition of VO2 while applying a controlled amount of mechanical pressure by a nanosized metallic probe using an atomic force microscope. At a critical pressure, we can reversibly actuate the phase transition with a large modulation of the conductivity. Direct tunneling through the VO2-metal contact is observed as the main charge carrier injection mechanism before and after the phase transition of VO2. The tunneling barrier is formed by a very thin but persistently insulating surface layer of the VO2. The necessary pressure to induce the transition decreases with temperature. In addition, we measured the phase coexistence line in a hitherto unexplored regime. Our study provides valuable information on pressure-induced electronic modifications of the VO2 properties, as well as on nanoscale metal-oxide contacts, which can help in the future design of oxide electronics. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000890974900001 | Publication Date | 2022-11-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2637-6113 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | Times cited | 2 | Open Access | OpenAccess | |
Notes | This work received financial support from the project Green ICT (grant number 400.17.607) of the research program NWA, which is financed by the Dutch Research Council (NWO), Research Foundation Flanders (FWO grant number G0F1320N), and the European Union’s Horizon 2020 research and innovation program within a contract for Integrating Activities for Advanced Communities (grant number 823717 − ESTEEM3). The K2 camera was funded through the Research Foundation Flanders (FWO-Hercules grant number G0H4316N – “Direct electron detector for soft matter TEM”).; esteem3reported; esteem3jra | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:192712 | Serial | 7309 | ||
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Author | Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B. | ||||
Title | Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides | Type | A1 Journal article | ||
Year | 2023 | Publication ![]() |
ACS applied electronic materials | Abbreviated Journal | |
Volume | 5 | Issue | 11 | Pages | 5852-5863 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001096792500001 | Publication Date | 2023-10-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2637-6113 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:201198 | Serial | 9026 | ||
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Author | Shah, J.; Wang, W.; Bogaerts, A.; Carreon, M.L. | ||||
Title | Ammonia Synthesis by Radio Frequency Plasma Catalysis: Revealing the Underlying Mechanisms | Type | A1 Journal article | ||
Year | 2018 | Publication ![]() |
ACS applied energy materials | Abbreviated Journal | ACS Appl. Energy Mater. |
Volume | 1 | Issue | 9 | Pages | 4824-4839 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Nonthermal plasma is a promising alternative for ammonia synthesis at gentle conditions. Metal meshes of Fe, Cu, Pd, Ag, and Au were employed as catalysts in radio frequency plasma for ammonia synthesis. The energy yield for all these transition metal catalysts ranged between 0.12 and 0.19 g-NH3/kWh at 300 W and, thus, needs further improvement. In addition, a semimetal, pure gallium, was used for the first time as catalyst for ammonia synthesis, with energy yield of 0.22 g-NH3/kWh and with a maximum yield of ∼10% at 150 W. The emission spectra, as well as computer simulations, revealed hydrogen recombination as a primary governing parameter, which depends on the concentration or flux of H atoms in the plasma and on the catalyst surface. The simulations helped to elucidate the underlying mechanism, implicating the dominance of surface reactions and surface adsorbed species. The rate limiting step appears to be NH2 formation on the surface of the reactor wall and on the catalyst surface, which is different from classical catalysis. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000458706500048 | Publication Date | 2018-09-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | Not_Open_Access | ||
Notes | M.L.C. acknowledges financial support from The University of Tulsa Faculty Startup Funds and The University of Tulsa Faculty Development Summer Fellowship Grant (FDSF). A.B. acknowledges financial support from the Excellence of Science program of the Fund for Scientific Research (FWO-FNRS; Grant no. G0F91618N; EOS ID 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: NA | ||
Call Number | PLASMANT @ plasmant @c:irua:153804 | Serial | 5051 | ||
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Author | Herzog, M.J.; Gauquelin, N.; Esken, D.; Verbeeck, J.; Janek, J. | ||||
Title | Increased Performance Improvement of Lithium-Ion Batteries by Dry Powder Coating of High-Nickel NMC with Nanostructured Fumed Ternary Lithium Metal Oxides | Type | A1 Journal article | ||
Year | 2021 | Publication ![]() |
ACS applied energy materials | Abbreviated Journal | ACS Appl. Energy Mater. |
Volume | 4 | Issue | 9 | Pages | 8832-8848 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Dry powder coating is an effective approach to protect the surfaces of layered cathode active materials (CAMs) in lithium-ion batteries. Previous investigations indicate an incorporation of lithium ions in fumed Al2O3, ZrO2, and TiO2 coatings on LiNi0.7Mn0.15Co0.15O2 during cycling, improving the cycling performance. Here, this coating approach is transferred for the first time to fumed ternary LiAlO2, Li4Zr3O8, and Li4Ti5O12 and directly compared with their lithium-free equivalents. All materials could be processed equally and their nanostructured small aggregates accumulate on the CAM surfaces to quite homogeneous coating layers with a certain porosity. The LiNixMnyCozO2 (NMC) coated with lithium-containing materials shows an enhanced improvement in overall capacity, capacity retention, rate performance, and polarization behavior during cycling, compared to their lithium-free analogues. The highest rate performance was achieved with the fumed ZrO2 coating, while the best long-term cycling stability with the highest absolute capacity was obtained for the fumed LiAlO2-coated NMC. The optimal coating agent for NMC to achieve a balanced system is fumed Li4Ti5O12, providing a good compromise between high rate capability and good capacity retention. The coating agents prevent CAM particle cracking and degradation in the order LiAlO2 ≈ Al2O3 > Li4Ti5O12 > Li4Zr3O8 > ZrO2 > TiO2. A schematic model for the protection and electrochemical performance enhancement of high-nickel NMC with fumed metal oxide coatings is sketched. It becomes apparent that physical and chemical characteristics of the coating significantly influence the performance of NMC. A high degree of coating-layer porosity is favorable for the rate capability, while a high coverage of the surface, especially in vulnerable grain boundaries, enhances the long-term cycling stability and improves the cracking behavior of NMCs. While zirconium-containing coatings possess the best chemical properties for high rate performances, aluminum-containing coatings feature a superior chemical nature to protect high-nickel NMCs. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000703338600018 | Publication Date | 2021-09-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 15 | Open Access | OpenAccess | |
Notes | For his support in scanning electron microscopy analysis, the authors thank Erik Peldszus. N. G. and J. V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp and from the Flemish Research Fund (FWO) project G0F1320N. The Qu-Ant-EM microscope and the direct electron detector were partly funded by the Hercules fund from the Flemish Government | Approved | Most recent IF: NA | ||
Call Number | EMAT @ emat @c:irua:183949 | Serial | 6823 | ||
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Author | Abakumov, A.M.; Li, C.; Boev, A.; Aksyonov, D.A.; Savina, A.A.; Abakumova, T.A.; Van Tendeloo, G.; Bals, S. | ||||
Title | Grain boundaries as a diffusion-limiting factor in lithium-rich NMC cathodes for high-energy lithium-ion batteries | Type | A1 Journal article | ||
Year | 2021 | Publication ![]() |
ACS applied energy materials | Abbreviated Journal | |
Volume | 4 | Issue | 7 | Pages | 6777-6786 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | High-energy lithium-rich layered transition metal oxides are capable of delivering record electrochemical capacity and energy density as positive electrodes for Li-ion batteries. Their electrochemical behavior is extremely complex due to sophisticated interplay between crystal structure, electronic structure, and defect structure. Here we unravel an extra level of this complexity by revealing that the most typical representative Li1.2Ni0.13Mn0.54Co0.13O2 material, prepared by a conventional coprecipitation technique with Na2CO3 as a precipitating agent, contains abundant coherent (001) grain boundaries with a Na-enriched P2-structured block due to segregation of the residual sodium traces. The trigonal prismatic oxygen coordination of Na triggers multiple nanoscale twinning, giving rise to incoherent (104) boundaries. The cationic layers at the (001) grain boundaries are filled with transition metal cations being Mn-depleted and Co-enriched; this makes them virtually not permeable for the Li+ cations, and therefore they negatively influence the Li diffusion in and out of the spherical agglomerates. These results demonstrate that besides the mechanisms intrinsic to the crystal and electronic structure of Li-rich cathodes, their rate capability might also be depreciated by peculiar microstructural aspects. Dedicated engineering of grain boundaries opens a way for improving inherently sluggish kinetics of these materials. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000678382900042 | Publication Date | 2021-07-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 4 | Open Access | OpenAccess | |
Notes | We thank Dr. M. V. Berekchiian (MSU) for assisting in ICPMS measurements. We acknowledge Russian Science Foundation (Grant 20-43-01012) and Research Foundation Flanders (FWO Vlaanderen, Project No. G0F1320N) for financial support. | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:180556 | Serial | 6841 | ||
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Author | Vishwakarma, M.; Batra, Y.; Hadermann, J.; Singh, A.; Ghosh, A.; Mehta, B.R. | ||||
Title | Exploring the role of graphene oxide as a co-catalyst in the CZTS photocathodes for improved photoelectrochemical properties | Type | A1 Journal article | ||
Year | 2022 | Publication ![]() |
ACS applied energy materials | Abbreviated Journal | |
Volume | 5 | Issue | 6 | Pages | 7538-7549 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The hydrogen evolution properties of CZTS heterostructure photocathodes are reported with graphene oxide (GO) as a co-catalyst layer coated by a drop-cast method and an Al2O3 protection layer fabricated using atomic layer deposition. In the CZTS absorber, a minor deviation from stoichiometry across the cross section of the thin film results in nanoscale growth of spurious phases, but the kesterite phase remains the dominant phase. We have investigated the band alignment parameters such as the band gap, work function, and Fermi level position that are crucial for making kesterite-based heterostructure devices. The photocurrent density in the photocathode CZTS/CdS/ZnO is found to be improved to -4.71 mAmiddotcm(-2) at -0.40 V-RHE, which is 3 times that of the pure CZTS. This enhanced photoresponse can be attributed to faster carrier separation at p-n junction regions driven by upward band bending at CZTS grain boundaries and the ZnO layer. GO as a co-catalyst over the heterostructure photocathode significantly improves the photocurrent density to -6.14 mAmiddotcm(-2) at -0.40 V-RHE by effective charge migration in the CZTS/CdS/ZnO/GO configuration, but the onset potential shifts only after application of the Al2O3 protection layer. Significant photocurrents of -29 mAmiddotcm(-2) at -0.40 V-RHE and -8 mAmiddotcm(-2) at 0 V-RHE are observed, with an onset potential of 0.7 V-RHE in CZTS/CdS/ZnO/GO/Al2O3. The heterostructure configuration and the GO co-catalyst reduce the charge-transfer resistance, while the Al2O3 top layer provides a stable photocurrent for a prolonged time (similar to 16 h). The GO co-catalyst increases the flat band potential from 0.26 to 0.46 V-RHE in CZTS/CdS/ZnO/GO, which supports the bias-induced band bending at the electrolyte-electrode interface. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000820418400001 | Publication Date | 2022-05-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.4 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 6.4 | |||
Call Number | UA @ admin @ c:irua:189666 | Serial | 7082 | ||
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Author | Yedukondalu, N.; Pandey, T.; Roshan, S.C.R. | ||||
Title | Effect of hydrostatic pressure on lone pair activity and phonon transport in Bi₂O₂S | Type | A1 Journal article | ||
Year | 2023 | Publication ![]() |
ACS applied energy materials | Abbreviated Journal | |
Volume | 6 | Issue | 4 | Pages | 2401-2411 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Dibismuth dioxychalcogenides, Bi2O2Ch (Ch = S, Se, Te), are a promising class of materials for next-generation electronics and thermoelectrics due to their ultrahigh carrier mobility and excellent air stability. An interesting member of this family is Bi2O2S, which has a stereochemically active 6s2 lone pair of Bi3+ cations, heterogeneous bonding, and a high mass contrast between its constituent elements. In the present study, we have used first-principles calculations in combination with Boltzmann transport theory to systematically investigate the effect of hydrostatic pressure on lattice dynamics and phonon transport properties of Bi2O2S. We found that the ambient Pnmn phase has a low average lattice thermal conductivity (kappa l) of 1.71 W/(m K) at 300 K. We also predicted that Bi2O2S undergoes a structural phase transition from a low-symmetry (Pnmn) to a high-symmetry (I4/mmm) structure at around 4 GPa due to centering of Bi3+ cations with pressure. Upon compression, the lone pair activity of Bi3+ cations is suppressed, which increases kappa l by almost 3 times to 4.92 W/ (m K) at 5 GPa for the I4/mmm phase. The computed phonon lifetimes and Gru''neisen parameters show that anharmonicity decreases with increasing pressure due to further suppression of the lone pair activity and strengthening of intra-and intermolecular interactions, leading to an average room-temperature kappa l of 12.82 W/(m K) at 20 GPa. Overall, this study provides a comprehensive understanding of the effect of hydrostatic pressure on the stereochemical activity of the lone pair of Bi3+ cations and its implications on the phonon transport properties of Bi2O2S. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000929103700001 | Publication Date | 2023-02-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.4 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 6.4; 2023 IF: NA | |||
Call Number | UA @ admin @ c:irua:195245 | Serial | 7300 | ||
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Author | Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Cakir, D. | ||||
Title | Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules | Type | A1 Journal article | ||
Year | 2019 | Publication ![]() |
ACS applied energy materials | Abbreviated Journal | |
Volume | 2 | Issue | 2 | Pages | 1251-1258 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Using first-principles calculations, we demonstrated that high lithium storage capacity and fast kinetics are achieved for Ti3C2O2 by preintercalating organic molecules. As a proof-of-concept, two different quinone molecules, namely 1,4-benzoquinone (C6H4O2) and tetrafluoro-1,4-benzoquinone (C6F4O2) were selected as the molecular linkers to demonstrate the feasibility of this interlayer engineering strategy for energy storage. As compared to Ti3C2O2 bilayer without linker molecules, our pillared structures facilitate a much faster ion transport, promising a higher charge/discharge rate for Li. For example, while the diffusion barrier of a single Li ion within pristine Ti3C2O2 bilayer is at least 1.0 eV, it becomes 0.3 eV in pillared structures, which is comparable and even lower than that of commercial materials. At high Li concentrations, the calculated diffusion barriers are as low as 0.4 eV. Out-of-plane migration of Li ions is hindered due to large barrier energy with a value of around 1-1.35 eV. Concerning storage capacity, we can only intercalate one monolayer of Li within pristine Ti3C2O2 bilayer. In contrast, pillared structures offer significantly higher storage capacity. Our calculations showed that at least two layers of Li can be intercalated between Ti3C2O2 layers without forming bulk Li and losing the pillared structure upon Li loading/unloading. A small change in the in-plane lattice parameters (<0.5%) and volume (<1.0%) and ab initio molecular dynamics simulations prove the stability of the pillared structures against Li intercalation and thermal effects. Intercalated molecules avoid the large contraction/expansion of the whole structure, which is one of the key problems in electrochemical energy storage. Pillared structures allow us to realize electrodes with high capacity and fast kinetics. Our results open new research paths for improving the performance of not only MXenes but also other layered materials for supercapacitor and battery applications. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000459948900037 | Publication Date | 2019-01-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:193759 | Serial | 7414 | ||
Permanent link to this record | |||||
Author | Yildiz, A.; Chouki, T.; Atli, A.; Harb, M.; Verbruggen, S.W.; Ninakanti, R.; Emin, S. | ||||
Title | Efficient iron phosphide catalyst as a counter electrode in dye-sensitized solar cells | Type | A1 Journal article | ||
Year | 2021 | Publication ![]() |
ACS applied energy materials | Abbreviated Journal | |
Volume | 4 | Issue | 10 | Pages | 10618-10626 |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Developing an efficient material as a counter electrode (CE) with excellent catalytic activity, intrinsic stability, and low cost is essential for the commercial application of dye-sensitized solar cells (DSSCs). Transition metal phosphides have been demonstrated as outstanding multifunctional catalysts in a broad range of energy conversion technologies. Here, we exploited different phases of iron phosphide as CEs in DSSCs with an I–/I3–-based electrolyte. Solvothermal synthesis using a triphenylphosphine precursor as a phosphorus source allows to grow a Fe2P phase at 300 °C and a FeP phase at 350 °C. The obtained iron phosphide catalysts were coated on fluorine-doped tin oxide substrates and heat-treated at 450 °C under an inert gas atmosphere. The solar-to-current conversion efficiency of the solar cells assembled with the Fe2P material reached 3.96 ± 0.06%, which is comparable to the device assembled with a platinum (Pt) CE. DFT calculations support the experimental observations and explain the fundamental origin behind the improved performance of Fe2P compared to FeP. These results indicate that the Fe2P catalyst exhibits excellent performance along with desired stability to be deployed as an efficient Pt-free alternative in DSSCs. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000711236300022 | Publication Date | 2021-10-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | OpenAccess | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:181953 | Serial | 7853 | ||
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Author | Alexander, C.T.; Abakumov, A.M.; Forslund, R.P.; Johnston, K.P.; Stevenson, K.J. | ||||
Title | Role of the carbon support on the oxygen reduction and evolution activities in LaNiO3 composite electrodes in alkaline solution | Type | A1 Journal article | ||
Year | 2018 | Publication ![]() |
ACS applied energy materials | Abbreviated Journal | |
Volume | 1 | Issue | 4 | Pages | 1549-1558 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Metal-air batteries and fuel cells show a great deal of promise in advancing low-cost, high-energy-density charge storage solutions for sustainable energy applications. To improve the activities and stabilities of electrocatalysts for the critical oxygen reduction and evolution reactions (ORR and OER, respectively), a greater understanding is needed of the catalyst/carbon interactions and carbon stability. Herein, we report how LaNiO3 (LNO) supported on nitrogen-doped carbon nanotubes (N-CNT) made from a high-yield synthesis lowers the overpotential for both the OER and ORR markedly to enable a low bifunctional window of 0.81 V at only a 51 mu g cm(-2) mass loading. Furthermore, the addition of LNO to the N-CNTs improves the galvanostatic stability for the OER by almost 2 orders of magnitude. The nanoscale geometries of the perovskites and the CNTs enhance the number of metal-support and charge transfer interactions and thus the activity. We use rotating ring disk electrodes (RRDEs) combined with Tafel slope analysis and ICP-OES to quantitatively separate current contributions from the OER, carbon oxidation, and even anodic iron leaching from carbon nanotubes. | ||||
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Language | Wos | 000458705400020 | Publication Date | 2018-03-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:157642 | Serial | 8487 | ||
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Author | Paulus, A.; Hendrickx, M.; Mayda, S.; Batuk, M.; Reekmans, G.; von Holst, M.; Elen, K.; Abakumov, A.M.; Adriaensens, P.; Lamoen, D.; Partoens, B.; Hadermann, J.; Van Bael, M.K.; Hardy, A. | ||||
Title | Understanding the Activation of Anionic Redox Chemistry in Ti4+-Substituted Li2MnO3as a Cathode Material for Li-Ion Batteries | Type | A1 Journal article | ||
Year | 2023 | Publication ![]() |
ACS applied energy materials | Abbreviated Journal | ACS Appl. Energy Mater. |
Volume | 6 | Issue | 13 | Pages | 6956-6971 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | Layered Li-rich oxides, demonstrating both cationic and anionic redox chemistry being used as positive electrodes for Li-ion batteries,have raised interest due to their high specific discharge capacities exceeding 250 mAh/g. However, irreversible structural transformations triggered by anionic redox chemistry result in pronounced voltagefade (i.e., lowering the specific energy by a gradual decay of discharge potential) upon extended galvanostatic cycling. Activating or suppressing oxygen anionic redox through structural stabilization induced by redox-inactivecation substitution is a well-known strategy. However, less emphasishas been put on the correlation between substitution degree and theactivation/suppression of the anionic redox. In this work, Ti4+-substituted Li2MnO3 was synthesizedvia a facile solution-gel method. Ti4+ is selected as adopant as it contains no partially filled d-orbitals. Our study revealedthat the layered “honeycomb-ordered” C2/m structure is preserved when increasing the Ticontent to x = 0.2 in the Li2Mn1-x Ti (x) O-3 solidsolution, as shown by electron diffraction and aberration-correctedscanning transmission electron microscopy. Galvanostatic cycling hintsat a delayed oxygen release, due to an improved reversibility of theanionic redox, during the first 10 charge-discharge cyclesfor the x = 0.2 composition compared to the parentmaterial (x = 0), followed by pronounced oxygen redoxactivity afterward. The latter originates from a low activation energybarrier toward O-O dimer formation and Mn migration in Li2Mn0.8Ti0.2O3, as deducedfrom first-principles molecular dynamics (MD) simulations for the“charged” state. Upon lowering the Ti substitution to x = 0.05, the structural stability was drastically improvedbased on our MD analysis, stressing the importance of carefully optimizingthe substitution degree to achieve the best electrochemical performance. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001018266700001 | Publication Date | 2023-07-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.4 | Times cited | Open Access | Not_Open_Access: Available from 24.12.2023 | |
Notes | Universiteit Hasselt, AUHL/15/2 – GOH3816N ; Russian Science Foundation, 20-43-01012 ; Fonds Wetenschappelijk Onderzoek, AUHL/15/2 – GOH3816N G040116N ; The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO Vlaanderen and the Flemish Government-department EWI. | Approved | Most recent IF: 6.4; 2023 IF: NA | ||
Call Number | EMAT @ emat @c:irua:198160 | Serial | 8809 | ||
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Author | Tran, T.L.A.; Çakir, D.; Wong, P.K.J.; Preobrajenski, A.B.; Brocks, G.; van der Wiel, W.G.; de Jong, M.P. | ||||
Title | Magnetic properties of bcc-Fe(001)/C-60 interfaces for organic spintronics | Type | A1 Journal article | ||
Year | 2013 | Publication ![]() |
Acs Applied Materials & Interfaces | Abbreviated Journal | Acs Appl Mater Inter |
Volume | 5 | Issue | 3 | Pages | 837-841 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The magnetic structure of the interfaces between organic semiconductors and ferromagnetic contacts plays a key role in the spin injection and extraction processes in organic spintronic devices. We present a combined computational (density functional theory) and experimental (X-ray magnetic circular dichroism) study on the magnetic properties of interfaces between bcc-Fe(001) and C-60 molecules. C-60 is an interesting candidate for application in organic spintronics due to the absence of hydrogen atoms and the associated hyperfine fields. Adsorption of C-60 on Fe(001) reduces the magnetic moments on the top Fe layers by similar to 6%, while inducing an antiparrallel magnetic moment of similar to-0.2 mu(B) on C-60. Adsorption of C-60 on a model ferromagnetic substrate consisting of three Fe monolayers on W(001) leads to a different structure but to very similar interface magnetic properties. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000315079700050 | Publication Date | 2013-01-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.504 | Times cited | 28 | Open Access | |
Notes | ; The authors acknowledge support from the European project MINOTOR (Grant No. FP7-NMP-228424), the European Research Council (ERC Starting Grant No. 280020), and the NWO VIDI program (Grant No. 10246). The use of supercomputer facilities was sponsored by the “Stichting Nationale Computerfaciliteiten (NCF)”, financially supported by the “Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)”. ; | Approved | Most recent IF: 7.504; 2013 IF: 5.900 | ||
Call Number | UA @ lucian @ c:irua:128326 | Serial | 4599 | ||
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Author | Gasparotto, A.; Maccato, C.; Carraro, G.; Sada, C.; Štangar, U.L.; Alessi, B.; Rocks, C.; Mariotti, D.; La Porta, A.; Altantzis, T.; Barreca, D. | ||||
Title | Surface Functionalization of Grown-on-Tip ZnO Nanopyramids: From Fabrication to Light-Triggered Applications | Type | A1 Journal Article | ||
Year | 2019 | Publication ![]() |
Acs Applied Materials & Interfaces | Abbreviated Journal | Acs Appl Mater Inter |
Volume | 11 | Issue | 17 | Pages | 15881-15890 |
Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
Abstract | We report on a combined chemical vapor deposition (CVD)/radio frequency (RF) sputtering synthetic strategy for the controlled surface modification of ZnO nanostructures by Ti-containing species. Specifically, the proposed approach consists in the CVD of grown-on-tip ZnO nanopyramids, followed by titanium RF sputtering under mild conditions. The results obtained by a thorough characterization demonstrate the successful ZnO surface functionalization with dispersed Ti-containing species in low amounts. This phenomenon, in turn, yields a remarkable enhancement of photoactivated superhydrophilic behavior, self-cleaning ability, and photocatalytic performances in comparison to bare ZnO. The reasons accounting for such an improvement are unravelled by a multitechnique analysis, elucidating the interplay between material chemico-physical properties and the corresponding functional behavior. Overall, the proposed strategy stands as an amenable tool for the mastering of semiconductor-based functional nanoarchitectures through ad hoc engineering of the system surface. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000466988800078 | Publication Date | 2019-04-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1944-8244 | ISBN | Additional Links | ||
Impact Factor | 7.504 | Times cited | 1 | Open Access | Not_Open_Access |
Notes | The research leading to these results has received financial support from Padova University ACTION postdoc fellowship, DOR 2016-2018, P-DiSC #03BIRD2016-UNIPD projects, and HERALD COST Action MP1402-37831. The support from EPSRC (awards EP/R008841/1 and EP/M024938/1) as well as from the Slovenian Research Agency (research core funding No. P1-0134) is also recognized. T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO, Belgium). The authors are grateful to Dr. Sebastiano Pianta (Department of Chemical Sciences, Padova University, Italy) for experimental assistance. | Approved | Most recent IF: 7.504 | ||
Call Number | EMAT @ emat @ | Serial | 5185 | ||
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Author | Agrawal, H.; Patra, B.K.; Altantzis, T.; De Backer, A.; Garnett, E.C. | ||||
Title | Quantifying Strain and Dislocation Density at Nanocube Interfaces after Assembly and Epitaxy | Type | A1 Journal article | ||
Year | 2020 | Publication ![]() |
Acs Applied Materials & Interfaces | Abbreviated Journal | Acs Appl Mater Inter |
Volume | 12 | Issue | 7 | Pages | 8788-8794 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract | Nanoparticle self-assembly and epitaxy are utilized extensively to make 1D and 2D structures with complex shapes. High-resolution transmission electron microscopy (HRTEM) has shown that single-crystalline interfaces can form, but little is known about the strain and dislocations at these interfaces. Such information is critically important for applications: drastically reducing dislocation density was the key breakthrough enabling widespread implementation of light-emitting diodes, while strain engineering has been fundamental to modern high-performance transistors, solar cells, and thermoelectrics. In this work, the interfacial defect and strain formation after selfassembly and room temperature epitaxy of 7 nm Pd nanocubes capped with polyvinylpyrrolidone (PVP) is examined. It is observed that, during ligand removal, the cubes move over large distances on the substrate, leading to both spontaneous self-assembly and epitaxy to form single crystals. Subsequently, atomically resolved images are used to quantify the strain and dislocation density at the epitaxial interfaces between cubes with different lateral and angular misorientations. It is shown that dislocation- and strain-free interfaces form when the nanocubes align parallel to each other. Angular misalignment between adjacent cubes does not necessarily lead to grain boundaries but does cause dislocations, with higher densities associated with larger rotations. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000515214300101 | Publication Date | 2020-02-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.5 | Times cited | Open Access | OpenAccess | |
Notes | Fonds Wetenschappelijk Onderzoek; H2020 Research Infrastructures, 731019 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 14846 ; The work at AMOLF is part of the research program of the “Nederlandse Organisatie voor Wetenschappelijk Onderzoek” (NWO). This work was supported by the NWO VIDI grant (project no. 14846). The authors would like to thank Reinout Jaarsma and Dr. Sven Askes for helping with the XPS measurements. A.D.B. acknowledges a postdoctoral grant from the research foundation Flanders (FWO). The authors acknowledge financial support from the European Commission under the Horizon 2020 Programme by means of the grant agreement no. 731019 EUSMI. | Approved | Most recent IF: 9.5; 2020 IF: 7.504 | ||
Call Number | EMAT @ emat @c:irua:167770 | Serial | 6398 | ||
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Author | Ben Dkhil, S.; Perkhun, P.; Luo, C.; Mueller, D.; Alkarsifi, R.; Barulina, E.; Quiroz, Y.A.A.; Margeat, O.; Dubas, S.T.; Koganezawa, T.; Kuzuhara, D.; Yoshimoto, N.; Caddeo, C.; Mattoni, A.; Zimmermann, B.; Wuerfel, U.; Pfannmöller, M.; Bals, S.; Ackermann, J.; Videlot-Ackermann, C. | ||||
Title | Direct correlation of nanoscale morphology and device performance to study photocurrent generation in donor-enriched phases of polymer solar cells | Type | A1 Journal article | ||
Year | 2020 | Publication ![]() |
Acs Applied Materials & Interfaces | Abbreviated Journal | Acs Appl Mater Inter |
Volume | 12 | Issue | 25 | Pages | 28404-28415 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The nanoscale morphology of polymer blends is a key parameter to reach high efficiency in bulk heterojunction solar cells. Thereby, research typically focusing on optimal blend morphologies while studying nonoptimized blends may give insight into blend designs that can prove more robust against morphology defects. Here, we focus on the direct correlation of morphology and device performance of thieno[3,4-b]-thiophene-alt-benzodithiophene (PTB7):[6,6]phenyl C-71 butyric acid methyl ester (PC71BM) bulk heterojunction (BHJ) blends processed without additives in different donor/acceptor weight ratios. We show that while blends of a 1:1.5 ratio are composed of large donor-enriched and fullerene domains beyond the exciton diffusion length, reducing the ratio below 1:0.5 leads to blends composed purely of polymer-enriched domains. Importantly, the photocurrent density in such blends can reach values between 45 and 60% of those reached for fully optimized blends using additives. We provide here direct visual evidence that fullerenes in the donor-enriched domains are not distributed homogeneously but fluctuate locally. To this end, we performed compositional nanoscale morphology analysis of the blend using spectroscopic imaging of low-energy-loss electrons using a transmission electron microscope. Charge transport measurement in combination with molecular dynamics simulations shows that the fullerene substructures inside the polymer phase generate efficient electron transport in the polymer-enriched phase. Furthermore, we show that the formation of densely packed regions of fullerene inside the polymer phase is driven by the PTB7:PC71BM enthalpy of mixing. The occurrence of such a nanoscale network of fullerene clusters leads to a reduction of electron trap states and thus efficient extraction of photocurrent inside the polymer domain. Suitable tuning of the polymer-acceptor interaction can thus introduce acceptor subnetworks in polymer-enriched phases, improving the tolerance for high-efficiency BHJ toward morphological defects such as donor-enriched domains exceeding the exciton diffusion length. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000543780900058 | Publication Date | 2020-06-01 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.5 | Times cited | 7 | Open Access | OpenAccess |
Notes | ; J.A., O.M., and C.V.-A. acknowledge financial support by the French Fond Unique Interministeriel (FUI) under the project “SFUMATO” (Grant Number: F1110019V/ 201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7, Grant Number: 287594). J.A., C.V.-A., and E.B. acknowledge the Association Nationale de la Recherche et de la Technologie (ANRT) and the Ministere de l'Enseignement Superieur, de la Recherche et de l'Innovation, awarded through the company Dracula Technologies (Valence, France), for framework of a CIFRE Ph.D. grant 2017/0529. J.A. and P.P. received funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie Grant agreement no. 713750. They further acknowledge support of the Regional Council of Provence-Alpes-Cote d'Azur, A*MIDEX (no. ANR-11-IDEX-0001-02), and the Investissements d'Avenir project funded by the French Government, managed by the French National Research Agency (ANR). J.A. and Y.A.A.Q. acknowledge the French Research Agency for funding through the project NFA-15 (ANR-17-CE05-0020-01). N.Y. acknowledges that the synchrotron radiation experiments were performed at BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (proposal nos. 2017B1629 and 2018B1791). S.B. acknowledges financial support from the European Research Council (ERC Consolidator Grant 815128-REALNANO) and from FWO (G.0381.16N). M.P. gratefully acknowledges funding by the Ministerium fur Wissenschaft, Forschung und Kunst Baden-Wurttemberg through the HEiKA materials research centre FunTECH-3D (MWK, 33-753-30-20/3/3) and the Large-Scale-Data-Facility (LSDF) sds@hd through grant INST 35/1314-1 FUGG. A.M. acknowledges Italian MIUR for funding through the project PON04a2 00490 M2M Netergit, PRACE, for awarding access to Marconi KNL at CINECA, Italy, through projects DECONVOLVES (2018184466) and PROVING-IL (2019204911). C.C. acknowledges the CINECA award under the ISCRA initiative for the availability of high-performance computing resources and support (project MITOMASC). ; sygma | Approved | Most recent IF: 9.5; 2020 IF: 7.504 | ||
Call Number | UA @ admin @ c:irua:170703 | Serial | 6484 | ||
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Author | Kertik, A.; Wee, L.H.; Şentosun, K.; Navarro, J.A.R.; Bals, S.; Martens, J.A.; Vankelecom, I.F.J. | ||||
Title | High-performance CO2-selective hybrid membranes by exploiting MOF-breathing effects | Type | A1 Journal article | ||
Year | 2020 | Publication ![]() |
Acs Applied Materials & Interfaces | Abbreviated Journal | Acs Appl Mater Inter |
Volume | 12 | Issue | 2 | Pages | 2952-2961 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Conventional CO2 separation in the petrochemical industry via cryogenic distillation or amine-based absorber-stripper units is energy-intensive and environmentally unfriendly. Membrane-based gas separation technology, in contrast, has contributed significantly to the development of energy-efficient systems for processes such as natural gas purification. The implementation of commercial polymeric membranes in gas separation processes is restricted by their permeability-selectivity trade-off and by their insufficient thermal and chemical stability. Herein, we present the fabrication of a Matrimid-based membrane loaded with a breathing metal-organic framework (MOF) (NH2-MIL-53(Al)) which is capable of separating binary CO2/CH4 gas mixtures with high selectivities without sacrificing much of its CO2 permeabilities. NH2-MIL-53(Al) crystals were embedded in a polyimide (PI) matrix, and the mixed-matrix membranes (MMMs) were treated at elevated temperatures (up to 350 degrees C) in air to trigger PI cross-linking and to create PI-MOF bonds at the interface to effectively seal the grain boundary. Most importantly, the MOF transitions from its narrow-pore form to its large-pore form during this treatment, which allows the PI chains to partly penetrate the pores and cross-link with the amino functions at the pore mouth of the NH2-MIL-53(Al) and stabilizes the open-pore form of NH2-MIL-53(Al). This cross-linked MMM, with MOF pore entrances was made more selective by the anchored PI-chains and achieves outstanding CO2/CH4 selectivities. This approach provides significant advancement toward the design of selective MMMs with enhanced thermal and chemical stabilities which could also be applicable for other potential applications, such as separation of hydrocarbons (olefin/paraffin or isomers), pervaporation, and solvent-resistant nanofiltration. | ||||
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Language | Wos | 000508464500108 | Publication Date | 2019-12-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.5 | Times cited | 26 | Open Access | OpenAccess |
Notes | ; A.K. is grateful to the Erasmus Mundus Doctorate in Membrane Engineering (EUDIME) programme. L.H.W. thanks the FWO-Vlaanderen for a postdoctoral research fellowships under contract number 12M1418N. We thank Methusalem and IAP-PAI for research funding. S.B. acknowledges financial support from European Research Council (ERC) (ERC Starting Grant No. 335078-COLOURATOM). We are also grateful to Frank Mathijs (KU Leuven) for the mechanical tests, Bart Goderis and Olivier Verkinderen for the DSC measurements, and Huntsman (Switzerland) for providing the Matrimid polymer. ; | Approved | Most recent IF: 9.5; 2020 IF: 7.504 | ||
Call Number | UA @ admin @ c:irua:166576 | Serial | 6534 | ||
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