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Author Kong, X.; Li, L.; Leenaerts, O.; Wang, W.; Liu, X.-J.; Peeters, F.M.
Title Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number Type A1 Journal article
Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 10 Issue 17 Pages 8153-8161
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications.
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Publisher Place of Publication Cambridge Editor
Language Wos 000432261400033 Publication Date 2018-03-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 28 Open Access
Notes ; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (No. 11574008), the Thousand-Young-Talent Program of China, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. W. Wang acknowledges financial support from the National Natural Science Foundation of China (Grant No. 11404214) and the China Scholarship Council (CSC). ; Approved Most recent IF: 7.367
Call Number UA @ lucian @ c:irua:151519UA @ admin @ c:irua:151519 Serial 5040
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Author Barreca, D.; Gri, F.; Gasparotto, A.; Carraro, G.; Bigiani, L.; Altantzis, T.; Žener, B.; Lavrenčič Štangar, U.; Alessi, B.; Padmanaban, D.B.; Mariotti, D.; Maccato, C.
Title Multi-functional MnO2nanomaterials for photo-activated applications by a plasma-assisted fabrication route Type A1 Journal article
Year 2019 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 11 Issue 1 Pages 98-108
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Supported MnO2-based nanomaterials were fabricated on fluorine-doped tin oxide substrates by plasma enhanced-chemical vapor deposition (PE-CVD) between 100 °C and 400 °C, starting from a fluorinated Mn(II) diamine diketonate precursor. Growth experiments yielded -MnO2 nanosystems with hierarchical morphology tuneable from dendritic structures to quasi-1D nanosystems as a function of growth temperature, whose variation enabled also a concomitant tailoring of the system fluorine content, and of the optical absorption and band gap. Preliminary photocatalytic tests were aimed at the investigation of photoinduced hydrophilic (PH) and solid phase photocatalytic (PC) performances of the present nanomaterials, as well as at the photodegradation of Plasmocorinth B azo-dye aqueous solutions. The obtained findings highlighted an attractive system photoactivity even under visible light, finely tailored by fluorine content, morphological organization and optical properties of the prepared nanostructures. The results indicate that the synthesized MnO2 nanosystems have potential applications as advanced smart materials for anti-fogging/self-cleaning end uses and water purification.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000454327500037 Publication Date 2018-10-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 7 Open Access OpenAccess
Notes Padova University DOR 2016–2017, P-DiSC #03BIRD2016-UNIPD projects, HERALD Cost Action MP1402 – 37831 and ACTION post-doc fellowship are acknowledged for financial support. T.A. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO). Thanks are also due to Prof. Sara Bals (EMAT, University of Antwerp, Belgium), Prof. Romana Cerc Korošec and to Dr. Lev Matoh (University of Ljubljana, Slovenia), and to Prof. Elza Bontempi (Brescia University, Italy). The work was also supported by EPSRC (award EP/R008841/1, EP/M024938/1). Approved Most recent IF: 7.367
Call Number EMAT @ emat @UA @ admin @ c:irua:156388 Serial 5148
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Author Vanrompay, H.; Bladt, E.; Albrecht, W.; Béché, A.; Zakhozheva, M.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Bals, S.
Title 3D characterization of heat-induced morphological changes of Au nanostars by fast in situ electron tomography Type A1 Journal article
Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 10 Issue 10 Pages 22792-22801
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract A thorough understanding of the thermal stability and potential reshaping of anisotropic gold nanostars is required for various potential applications. Combination of a tomographic heating holder with fast tilt series acquisition has been used to monitor temperature-induced morphological changes of Au nanostars. The outcome of our 3D investigations can be used as an input for boundary element method simulations, enabling us to investigate the influence of reshaping on the nanostars’ plasmonic properties. Our work leads to a better understanding of the mechanism behind thermal reshaping. In addition, the approach presented here is generic and can hence be applied to a wide variety of nanoparticles made of different materials and with arbitrary morphology.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000453248100010 Publication Date 2018-11-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 55 Open Access OpenAccess
Notes H.V. acknowledges financial support by the Research Foundation Flanders (FWO grant 1S32617N). E.B. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020. The authors acknowledge funding from European Commission Grant (EUSMI 731019 to S.B., L.M.L.-M. and M.Z. and MUMMERING 765604 to S.B. and M.Z.). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078- COLOURATOMS).; Ecas_sara Approved Most recent IF: 7.367
Call Number EMAT @ emat @c:irua:155718UA @ admin @ c:irua:155718 Serial 5071
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Author Tonkikh, A.A.; Tsebro, V.I.; Obraztsova, E.A.; Rybkovskiy, D.V.; Orekhov, A.S.; Kondrashov, I.I.; Kauppinen, E.I.; Chuvilin, A.L.; Obraztsova, E.D.
Title Films of filled single-wall carbon nanotubes as a new material for high-performance air-sustainable transparent conductive electrodes operating in a wide spectral range Type A1 Journal article
Year 2019 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 11 Issue 14 Pages 6755-6765
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In this paper we show the advantages of transparent high conductive films based on filled single-wall carbon nanotubes. The nanotubes with internal channels filled with acceptor molecules (copper chloride or iodine) form networks demonstrating significantly improved characteristics. Due to the charge transfer between the nanotubes and filler, the doped-nanotube films exhibit a drop in electrical sheet resistance of an order of magnitude together with a noticeable increase of film transparency in the visible and near-infrared spectral range. The thermoelectric power measurements show a significant improvement of air-stability of the nanotube network in the course of the filling procedure. For the nanotube films with an initial transparency of 87% at 514 nm and electrical sheet resistance of 862 Ohm sq(-1) we observed an improvement of transparency up to 91% and a decrease of sheet resistance down to 98 Ohm sq(-1). The combination of the nanotube synthesis technique and molecules for encapsulation has been optimized for applications in optoelectronics.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464454400024 Publication Date 2019-03-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 2 Open Access Not_Open_Access: Available from 06.09.2019
Notes ; The work was supported by the RFBR project 18-29-19113-mk, grant no. 311533 of Academy of Finland, Russian Federation President Program for young scientist MK-3140.2018.2. Also, the reported study was funded by RFBR and Moscow city Government according to the research project no. 19-32-70004. TEM measurements were performed with financial support from the Ministry of Science and Higher Education of the Russian Federation within the state assignment for the Federal Scientific Research Centre “Crystallography and Photonics” of the Russian Academy of Sciences. ; Approved Most recent IF: 7.367
Call Number UA @ admin @ c:irua:159339 Serial 5249
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Author Yu, S.; Sankaran, K.J.; Korneychuk, S.; Verbeeck, J.; Haenen, K.; Jiang, X.; Yang, N.
Title High-performance supercabatteries using graphite@diamond nano-needle capacitor electrodes and redox electrolytes Type A1 Journal article
Year 2019 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 11 Issue 38 Pages 17939-17946
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Supercabatteries have the characteristics of supercapacitors and batteries, namely high power and energy densities as well as long cycle life. To construct them, capacitor electrodes with wide potential windows and/or redox electrolytes are required. Herein, graphite@diamond nano-needles and an aqueous solution of Fe(CN)(6)(3-/4-) are utilized as the capacitor electrode and the electrolyte, respectively. This diamond capacitor electrode has a nitrogen-doped diamond core and a nano-graphitic shell. In 0.05 M Fe(CN)(6)(3-/4-) + 1.0 M Na2SO4 aqueous solution, the fabricated supercabattery has a capacitance of 66.65 mF cm(-2) at a scan rate of 10 mV s(-1). It is stable over 10 000 charge/discharge cycles. The symmetric supercabattery device assembled using a two-electrode system possesses energy and power densities of 10.40 W h kg(-1) and 6.96 kW kg(-1), respectively. These values are comparable to those of other energy storage devices. Therefore, diamond supercabatteries are promising for many industrial applications.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000489646900036 Publication Date 2019-09-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 26 Open Access
Notes ; S. Yu and K. J. Sankaran contributed equally to this work. N. Yang acknowledges funding from the German Science Foundation under the project of YA344/1-1. J. Verbeeck and S. Korneychuk acknowledge the funding from 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. K. J. Sankaran and K. Haenen like to acknowledge the financial support of the Methusalem “NANO” network. S. Yu likes to acknowledge the financial support from fundamental research funds for the central universities (Grant No. SWU019001). ; Approved Most recent IF: 7.367
Call Number UA @ admin @ c:irua:163723 Serial 5388
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Author Liu, P.; Wu, T.; Madsen, J.; Schiotz, J.; Wagner, J.B.; Hansen, T.W.
Title Transformations of supported gold nanoparticles observed by in situ electron microscopy Type A1 Journal article
Year 2019 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 11 Issue 24 Pages 11885-11891
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Oxide supported metal nanoparticles play an important role in heterogeneous catalysis. However, understanding the metal/oxide interface and their evolution under reaction conditions remains challenging. Herein, we investigate the interface between Au nanoparticles and a CeO2 substrate by environmental transmission electron microscopy with atomic resolution. We find that the Au nanoparticles have two preferential epitaxial relationships with the substrate, i.e. Type I (111)[-110]CeO2//(111)[-110]Au and Type II (111)[-110]CeO2//(111)[1-10]Au orientation relationships, where Type I is preferred. In situ observations in the presence of O-2 show that the gas can stimulate the supported Au nanoparticles to transform between these two orientations even at room temperature. Moreover, when increasing the temperature to 973 K, the transformation of an Au nanoparticle between the two orientation states and a non-crystalline state in the presence of O-2 is also observed. DFT calculations of the binding between Au and CeO2 in the two relationships are strongly influenced by the presence of oxygen vacancies. For a given position of a vacancy, there is a significant energy difference between the energy of the two types. However, for some positions, Type I is preferred, and for others, Type II, but the most favourable position of the vacancy for the two types has a very similar energy. This is consistent with the observation of both types of adhesion.
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Publisher Place of Publication Editor
Language Wos 000472559800049 Publication Date 2019-05-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 1 Open Access
Notes ; ; Approved Most recent IF: 7.367
Call Number UA @ admin @ c:irua:161313 Serial 5402
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Author Payne, L.M.; Albrecht, W.; Langbein, W.; Borri, P.
Title The optical nanosizer – quantitative size and shape analysis of individual nanoparticles by high-throughput widefield extinction microscopy Type A1 Journal article
Year 2020 Publication Nanoscale Abbreviated Journal Nanoscale
Volume Issue Pages
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Nanoparticles are widely utilised for a range of applications, from catalysis to medicine, requiring accurate knowledge of their size and shape. Current techniques for particle characterisation are either not very accurate or time consuming and expensive. Here we demonstrate a rapid and quantitative method for particle analysis based on measuring the polarisation-resolved optical extinction cross-section of hundreds of individual nanoparticles using wide-field microscopy, and determining the particle size and shape from the optical properties. We show measurements on three samples consisting of nominally spherical gold nanoparticles of 20 nm and 30 nm diameter, and gold nanorods of 30 nm length and 10 nm diameter. Nanoparticle sizes and shapes in three dimensions are deduced from the measured optical cross-sections at different wavelengths and light polarisation, by solving the inverse problem, using an ellipsoid model of the particle polarisability in the dipole limit. The sensitivity of the method depends on the experimental noise and the choice of wavelengths. We show an uncertainty down to about 1 nm in mean diameter, and 10% in aspect ratio when using two or three color channels, for a noise of about 50 nm<sup>2</sup>in the measured cross-section. The results are in good agreement with transmission electron microscopy, both 2D projection and tomography, of the same sample batches. Owing to its combination of experimental simplicity, ease of access to statistics over many particles, accuracy, and geometrical particle characterisation in 3D, this “optical nanosizer” method has the potential to become the technique of choice for quality control in next-generation particle manufacturing.
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Publisher Place of Publication Editor
Language Wos 000558928800022 Publication Date 2020-07-08
Series Editor Series Title Abbreviated Series Title
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ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.7 Times cited Open Access OpenAccess
Notes This work was supported by a Welsh Government Life Sciences Bridging Fund (grant LSBF/R6-005) and by the UK EPSRC (grant no. EP/I005072/1 and EP/M028313/1). PB acknowledges the Royal Society for her Wolfson research merit award (grant WM140077). The authors acknowledge funding from the European Commission (Grant EUSMI E191000350). WA acknowledges an Individual Fellowship from the Marie Sklodowska-Curie actions (MSCA) under the EU’s Horizon 2020 program (Grant 797153, SOPMEN), and Sara Bals for supporting the STEM measurements. The bright-field TEM was performed by Thomas Davies at Cardiff University. We acknowledge Attilio Zilli for helpful discussions and contributions in calculating the relative field strengths in the illumination and finite-element simulation of cross-sections shown in the ESI.† We acknowledge Iestyn Pope for technical support of the optical equipment. Approved Most recent IF: 6.7; 2020 IF: 7.367
Call Number UA @ lucian @c:irua:170485 Serial 6397
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Author Bekaert, J.; Sevik, C.; Milošević, M.V.
Title First-principles exploration of superconductivity in MXenes Type A1 Journal article
Year 2020 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 12 Issue Pages 17354-17361
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract MXenes are an emerging class of two-dimensional materials, which in their thinnest limit consist of a monolayer of carbon or nitrogen (X) sandwiched between two transition metal (M) layers. We have systematically searched for superconductivity among MXenes for a range of transition metal elements, based on a full first-principles characterization in combination with the Eliashberg formalism. Thus, we identified six superconducting MXenes: three carbides (Mo2C, W2C and Sc2C) and three nitrides (Mo2N, W2N and Ta2N). The highest critical temperature of similar to 16 K is found in Mo2N, for which a successful synthesis method has been established [Urbankowskiet al.,Nanoscale, 2017,9, 17722-17730]. Moreover, W2N presents a novel case of competing superconducting and charge density wave phases.
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Publisher Place of Publication Editor
Language Wos 000563481700017 Publication Date 2020-08-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.7 Times cited 15 Open Access
Notes ; This work is supported by The Scientific and Technological Research Council of Turkey (TUBITAK) under the contract number COST-118F187, the Air Force Office of Scientific Research under award number FA9550-19-1-7048, by Research Foundation-Flanders (FWO) and the University of Antwerp (BOF). The collaboration was fostered by COST action NANOCOHYBRI (CA16218). Computational resources were provided by the High Performance and Grid Computing Center (TRGrid e-Infrastructure) of TUBITAK ULAKBIM, the National Center for High Performance Computing (UHeM) of Istanbul Technical University, and by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI. J. B. acknowledges support of a postdoctoral fellowship of the FWO. ; Approved Most recent IF: 6.7; 2020 IF: 7.367
Call Number UA @ admin @ c:irua:171988 Serial 6521
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Author Lu, Y.; Liu, Y.-X.; He, L.; Wang, L.-Y.; Liu, X.-L.; Liu, J.-W.; Li, Y.-Z.; Tian, G.; Zhao, H.; Yang, X.-H.; Liu, J.; Janiak, C.; Lenaerts, S.; Yang, X.-Y.; Su, B.-L.
Title Interfacial co-existence of oxygen and titanium vacancies in nanostructured TiO₂ for enhancement of carrier transport Type A1 Journal article
Year 2020 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 12 Issue 15 Pages 8364-8370
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The interfacial co-existence of oxygen and metal vacancies in metal oxide semiconductors and their highly efficient carrier transport have rarely been reported. This work reports on the co-existence of oxygen and titanium vacancies at the interface between TiO2 and rGO via a simple two-step calcination treatment. Experimental measurements show that the oxygen and titanium vacancies are formed under 550 degrees C/Ar and 350 degrees C/air calcination conditions, respectively. These oxygen and titanium vacancies significantly enhance the transport of interfacial carriers, and thus greatly improve the photocurrent performances, the apparent quantum yield, and photocatalysis such as photocatalytic H-2 production from water-splitting, photocatalytic CO2 reduction and photo-electrochemical anticorrosion of metals. A new “interfacial co-existence of oxygen and titanium vacancies” phenomenon, and its characteristics and mechanism are proposed at the atomic-/nanoscale to clarify the generation of oxygen and titanium vacancies as well as the interfacial carrier transport.
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Publisher Place of Publication Editor
Language Wos 000529201500029 Publication Date 2020-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.7 Times cited 4 Open Access
Notes ; This work was supported by the National Natural Science Foundation of China (51861135313, U1663225, U1662134, and 51472190), the International Science & Technology Cooperation Program of China (2015DFE52870), the Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52), the Fundamental Research Funds for the Central Universities (19lgpy113 and 19lgzd16), the Jilin Province Science and Technology Development Plan (20180101208JC) and the Hubei Provincial Natural Science Foundation of China (2016CFA033). ; Approved Most recent IF: 6.7; 2020 IF: 7.367
Call Number UA @ admin @ c:irua:169578 Serial 6550
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Author Liu, P.; Arslan Irmak, E.; De Backer, A.; De wael, A.; Lobato, I.; Béché, A.; Van Aert, S.; Bals, S.
Title Three-dimensional atomic structure of supported Au nanoparticles at high temperature Type A1 Journal article
Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 13 Issue Pages
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Au nanoparticles (NPs) deposited on CeO2 are extensively used as thermal catalysts since the morphology of the NPs is expected to be stable at elevated temperatures. Although it is well known that the activity of Au NPs depends on their size and surface structure, their three-dimensional (3D) structure at the atomic scale has not been completely characterized as a function of temperature. In this paper, we overcome the limitations of conventional electron tomography by combining atom counting applied to aberration-corrected scanning transmission electron microscopy images and molecular dynamics relaxation. In this manner, we are able to perform an atomic resolution 3D investigation of supported Au NPs. Our results enable us to characterize the 3D equilibrium structure of single NPs as a function of temperature. Moreover, the dynamic 3D structural evolution of the NPs at high temperatures, including surface layer jumping and crystalline transformations, has been studied.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000612999200029 Publication Date 2020-12-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 13 Open Access OpenAccess
Notes This work was supported by the European Research Council (Grant 815128 REALNANO to SB, Grant 770887 PICOMETRICS to SVA, Grant 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through grants to A. D. w. and A. D. B. and project funding G.0267.18N.; sygma; esteem3JRA; esteem3reported Approved Most recent IF: 7.367
Call Number EMAT @ emat @c:irua:174858 Serial 6665
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Author Geerts, L.; Geerts-Claes, H.; Skorikov, A.; Vermeersch, J.; Vanbutsele, G.; Galvita, V.; Constales, D.; Chandran, C.V.; Radhakrishnan, S.; Seo, J.W.; Breynaert, E.; Bals, S.; Sree, S.P.; Martens, J.A.
Title Spherical core–shell alumina support particles for model platinum catalysts Type A1 Journal article
Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 13 Issue 7 Pages 4221-4232
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract γ- and δ-alumina are popular catalyst support materials. Using a hydrothermal synthesis method starting from aluminum nitrate and urea in diluted solution, spherical core–shell particles with a uniform particle size of about 1 μm were synthesized. Upon calcination at 1000 °C, the particles adopted a core–shell structure with a γ-alumina core and δ-alumina shell as evidenced by 2D and 3D electron microscopy and<sup>27</sup>Al magic angle spinning nuclear magnetic resonance spectroscopy. The spherical alumina particles were loaded with Pt nanoparticles with an average size below 1 nm using the strong electrostatic adsorption method. Electron microscopy and energy dispersive X-ray spectroscopy revealed a homogeneous platinum dispersion over the alumina surface. These platinum loaded alumina spheres were used as a model catalyst for bifunctional catalysis. Physical mixtures of Pt/alumina spheres and spherical zeolite particles are equivalent to catalysts with platinum deposited on the zeolite itself facilitating the investigation of the catalyst components individually. The spherical alumina particles are very convenient supports for obtaining a homogeneous distribution of highly dispersed platinum nanoparticles. Obtaining such a small Pt particle size is challenging on other support materials such as zeolites. The here reported and well-characterized Pt/alumina spheres can be combined with any zeolite and used as a bifunctional model catalyst. This is an interesting strategy for the examination of the acid catalytic function without the interference of the supported platinum metal on the investigated acid material.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000621767000026 Publication Date 2021-01-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 3 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, G0A5417N G038116N ; Vlaamse regering, Methusalem ; Hercules Foundation, AKUL/13/19 ; Approved Most recent IF: 7.367
Call Number EMAT @ emat @c:irua:176021 Serial 6679
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Author Jalali, H.; Khoeini, F.; Peeters, F.M.; Neek-Amal, M.
Title Hydration effects and negative dielectric constant of nano-confined water between cation intercalated MXenes Type A1 Journal article
Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 13 Issue 2 Pages 922-929
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Using electrochemical methods a profound enhancement of the capacitance of electric double layer capacitor electrodes was reported when water molecules are strongly confined into the two-dimensional slits of titanium carbide MXene nanosheets [A. Sugahara et al., Nat. Commun., 2019, 10, 850]. We study the effects of hydration on the dielectric properties of nanoconfined water and supercapacitance properties of the cation intercalated MXene. A model for the electric double layer capacitor is constructed where water molecules are strongly confined in two-dimensional slits of MXene. We report an abnormal dielectric constant and polarization of nano-confined water between MXene layers. We found that by decreasing the ionic radius of the intercalated cations and in a critical hydration shell radius the capacitance of the system increases significantly (similar or equal to 200 F g(-1)) which can be interpreted as a negative permittivity. This study builds a bridge between the fundamental understanding of the dielectric properties of nanoconfined water and the capability of using MXene films for supercapacitor technology, and in doing so provides a solid theoretical support for recent experiments.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000610368100035 Publication Date 2020-12-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 7 Open Access Not_Open_Access
Notes ; ; Approved Most recent IF: 7.367
Call Number UA @ admin @ c:irua:176141 Serial 6690
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Author Wu, L.; Kolmeijer, K.E.; Zhang, Y.; An, H.; Arnouts, S.; Bals, S.; Altantzis, T.; Hofmann, J.P.; Costa Figueiredo, M.; Hensen, E.J.M.; Weckhuysen, B.M.; van der Stam, W.
Title Stabilization effects in binary colloidal Cu and Ag nanoparticle electrodes under electrochemical CO₂ reduction conditions Type A1 Journal article
Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 13 Issue 9 Pages 4835-4844
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract Nanoparticle modified electrodes constitute an attractive way to tailor-make efficient carbon dioxide (CO2) reduction catalysts. However, the restructuring and sintering processes of nanoparticles under electrochemical reaction conditions not only impedes the widespread application of nanoparticle catalysts, but also misleads the interpretation of the selectivity of the nanocatalysts. Here, we colloidally synthesized metallic copper (Cu) and silver (Ag) nanoparticles with a narrow size distribution (<10%) and utilized them in electrochemical CO2 reduction reactions. Monometallic Cu and Ag nanoparticle electrodes showed severe nanoparticle sintering already at low overpotential of -0.8 V vs. RHE, as evidenced by ex situ SEM investigations, and potential-dependent variations in product selectivity that resemble bulk Cu (14% for ethylene at -1.3 V vs. RHE) and Ag (69% for carbon monoxide at -1.0 V vs. RHE). However, by co-deposition of Cu and Ag nanoparticles, a nanoparticle stabilization effect was observed between Cu and Ag, and the sintering process was greatly suppressed at CO2 reducing potentials (-0.8 V vs. RHE). Furthermore, by varying the Cu/Ag nanoparticle ratio, the CO2 reduction reaction (CO2RR) selectivity towards methane (maximum of 20.6% for dense Cu-2.5-Ag-1 electrodes) and C-2 products (maximum of 15.7% for dense Cu-1-Ag-1 electrodes) can be tuned, which is attributed to a synergistic effect between neighbouring Ag and Cu nanoparticles. We attribute the stabilization of the nanoparticles to the positive enthalpies of Cu-Ag solid solutions, which prevents the dissolution-redeposition induced particle growth under CO2RR conditions. The observed nanoparticle stabilization effect enables the design and fabrication of active CO2 reduction nanocatalysts with high durability.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000628024200011 Publication Date 2021-02-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 24 Open Access OpenAccess
Notes This work is funded by the Strategic UU-TU/e Alliance project ‘Joint Centre for Chemergy Research’ (budget holder B. M. W.). S. B. acknowledges support from the European Research Council (ERC Consolidator Grant #815128 REALNANO). S. A. and T. A. acknowledge funding from the University of Antwerp Research fund (BOF). We thank Eric Hellebrand (Faculty of Geosciences, Utrecht University) for the assistance in SEM measurements. Dr Ramon Oord (ARC Chemical Building Blocks Consortium, Faculty of Science, Utrecht University) is acknowledged for assisting with the grazing incidence XRD measurements; sygma Approved Most recent IF: 7.367
Call Number UA @ admin @ c:irua:176723 Serial 6737
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Author Skorikov, A.; Heyvaert, W.; Albecht, W.; Pelt, D.M.; Bals, S.
Title Deep learning-based denoising for improved dose efficiency in EDX tomography of nanoparticles Type A1 Journal article
Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 13 Issue Pages 12242-12249
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The combination of energy-dispersive X-ray spectroscopy (EDX) and electron tomography is a powerful approach to retrieve the 3D elemental distribution in nanomaterials, providing an unprecedented level of information for complex, multi-component systems, such as semiconductor devices, as well as catalytic and plasmonic nanoparticles. Unfortunately, the applicability of EDX tomography is severely limited because of extremely long acquisition times and high electron irradiation doses required to obtain 3D EDX reconstructions with an adequate signal-to-noise ratio. One possibility to address this limitation is intelligent denoising of experimental data using prior expectations about the objects of interest. Herein, this approach is followed using the deep learning methodology, which currently demonstrates state-of-the-art performance for an increasing number of data processing problems. Design choices for the denoising approach and training data are discussed with a focus on nanoparticle-like objects and extremely noisy signals typical for EDX experiments. Quantitative analysis of the proposed method demonstrates its significantly enhanced performance in comparison to classical denoising approaches. This allows for improving the tradeoff between the reconstruction quality, acquisition time and radiation dose for EDX tomography. The proposed method is therefore especially beneficial for the 3D EDX investigation of electron beam-sensitive materials and studies of nanoparticle transformations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000671395800001 Publication Date 2021-07-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 11 Open Access OpenAccess
Notes Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 016.Veni.192.235 ; H2020 European Research Council, 815128 ; H2020 Marie Skłodowska-Curie Actions, 797153 ; H2020 Research Infrastructures, 731019; realnano; sygmaSB Approved Most recent IF: 7.367
Call Number EMAT @ emat @c:irua:179756 Serial 6799
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Author Pramanik, G.; Kvakova, K.; Thottappali, M.A.; Rais, D.; Pfleger, J.; Greben, M.; El-Zoka, A.; Bals, S.; Dracinsky, M.; Valenta, J.; Cigler, P.
Title Inverse heavy-atom effect in near infrared photoluminescent gold nanoclusters Type A1 Journal article
Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 12 Issue 23 Pages 10462-10467
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Fluorophores functionalized with heavy elements show enhanced intersystem crossing due to increased spin-orbit coupling, which in turn shortens the fluorescence decay lifetime (tau(PL)). This phenomenon is known as the heavy-atom effect (HAE). Here, we report the observation of increased tau(PL) upon functionalisation of near-infrared photoluminescent gold nanoclusters with iodine. The heavy atom-mediated increase in tau(PL) is in striking contrast with the HAE and referred to as inverse HAE. Femtosecond and nanosecond transient absorption spectroscopy revealed overcompensation of a slight decrease in lifetime of the transition associated with the Au core (ps) by a large increase in the long-lived triplet state lifetime associated with the Au shell, which contributed to the observed inverse HAE. This unique observation of inverse HAE in gold nanoclusters provides the means to enhance the triplet excited state lifetime.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000657052500001 Publication Date 2021-06-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 1 Open Access OpenAccess
Notes The authors acknowledge support from GACR project no. 18-12533S. G. P. acknowledges support from EUSMI project no. E180200060; J. P. from the Ministry of Education, Youth and Sports of the Czech Republic – Program INTER-EXCELLENCE (LTAUSA19066). Approved Most recent IF: 7.367
Call Number UA @ admin @ c:irua:179052 Serial 6843
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Author Pramanik, G.; Kvakova, K.; Thottappali, M.A.; Rais, D.; Pfleger, J.; Greben, M.; El-Zoka, A.; Bals, S.; Dracinsky, M.; Valenta, J.; Cigler, P.
Title Inverse heavy-atom effect in near infrared photoluminescent gold nanoclusters Type A1 Journal Article
Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 13 Issue 23 Pages 10462-10467
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract Fluorophores functionalized with heavy elements show enhanced intersystem crossing due to increased spin–orbit coupling, which in turn shortens the fluorescence decay lifetime (<italic>τ</italic><sup>PL</sup>). This phenomenon is known as the heavy-atom effect (HAE). Here, we report the observation of increased<italic>τ</italic><sup>PL</sup>upon functionalisation of near-infrared photoluminescent gold nanoclusters with iodine. The heavy atom-mediated increase in<italic>τ</italic><sup>PL</sup>is in striking contrast with the HAE and referred to as inverse HAE. Femtosecond and nanosecond transient absorption spectroscopy revealed overcompensation of a slight decrease in lifetime of the transition associated with the Au core (ps) by a large increase in the long-lived triplet state lifetime associated with the Au shell, which contributed to the observed inverse HAE. This unique observation of inverse HAE in gold nanoclusters provides the means to enhance the triplet excited state lifetime.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2021-05-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links
Impact Factor 7.367 Times cited 7 Open Access OpenAccess
Notes The authors acknowledge support from GACR project Nr.18- 12533S. G. P. acknowledges support from EUSMI project No. E180200060; J.P. from the Ministry of Education, Youth and Sports of the Czech Republic – Program INTER-EXCELLENCE (LTAUSA19066). Approved Most recent IF: 7.367
Call Number EMAT @ emat @ Serial 6950
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Author Yagmurcukardes, M.; Sozen, Y.; Baskurt, M.; Peeters, F.M.; Sahin, H.
Title Interface-dependent phononic and optical properties of GeO/MoSO heterostructures Type A1 Journal article
Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale
Volume Issue Pages
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The interface-dependent electronic, vibrational, piezoelectric, and optical properties of van der Waals heterobilayers, formed by buckled GeO (b-GeO) and Janus MoSO structures, are investigated by means of first-principles calculations. The electronic band dispersions show that O/Ge and S/O interface formations result in a type-II band alignment with direct and indirect band gaps, respectively. In contrast, O/O and S/Ge interfaces give rise to the formation of a type-I band alignment with an indirect band gap. By considering the Bethe-Salpeter equation (BSE) on top of G(0)W(0) approximation, it is shown that different interfaces can be distinguished from each other by means of the optical absorption spectra as a consequence of the band alignments. Additionally, the low- and high-frequency regimes of the Raman spectra are also different for each interface type. The alignment of the individual dipoles, which is interface-dependent, either weakens or strengthens the net dipole of the heterobilayers and results in tunable piezoelectric coefficients. The results indicate that the possible heterobilayers of b-GeO/MoSO asymmetric structures possess various electronic, optical, and piezoelectric properties arising from the different interface formations and can be distinguished by means of various spectroscopic techniques.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000738899600001 Publication Date 2021-12-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 5 Open Access Not_Open_Access
Notes Approved Most recent IF: 7.367
Call Number UA @ admin @ c:irua:184722 Serial 6998
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Author Fatermans, J.; Romolini, G.; Altantzis, T.; Hofkens, J.; Roeffaers, M.B.J.; Bals, S.; Van Aert, S.
Title Atomic-scale detection of individual lead clusters confined in Linde Type A zeolites Type A1 Journal article
Year 2022 Publication Nanoscale Abbreviated Journal Nanoscale
Volume Issue Pages
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract Structural analysis of metal clusters confined in nanoporous materials is typically performed by X-ray-driven techniques. Although X-ray analysis has proved its strength in the characterization of metal clusters, it provides averaged structural information. Therefore, we here present an alternative workflow for bringing the characterization of confined metal clusters towards the local scale. This workflow is based on the combination of aberration-corrected transmission electron microscopy (TEM), TEM image simulations, and powder X-ray diffraction (XRD) with advanced statistical techniques. In this manner, we were able to characterize the clustering of Pb atoms in Linde Type A (LTA) zeolites with Pb loadings as low as 5 wt%. Moreover, individual Pb clusters could be directly detected. The proposed methodology thus enables a local-scale characterization of confined metal clusters in zeolites. This is important for further elucidation of the connection between the structure and the physicochemical properties of such systems.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000809619900001 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.7 Times cited 2 Open Access OpenAccess
Notes The authors acknowledge the Research Foundation Flanders through project fundings (FWO, G026718N, G050218N, ZW15_09-G0H6316N, and W002221N) and through a PhD scholarship to G.R. (grant 11C6920N), as well as iBOF-21-085 PERSIST. T.A. and S.V.A. acknowledge funding from the University of Antwerp Research fund (BOF). J.H. acknowledges the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) and the MPI as MPI fellow. M.R. acknowledges funding by the KU Leuven Research Fund (C14/19/079). S.B. and S.V.A. 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 authors thank Dr. D. Chernyshov for the collection of XRD measurements. Approved Most recent IF: 6.7
Call Number EMAT @ emat @c:irua:189061 Serial 7076
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Author Craig, T.M.; Kadu, A.A.; Batenburg, K.J.; Bals, S.
Title Real-time tilt undersampling optimization during electron tomography of beam sensitive samples using golden ratio scanning and RECAST3D Type A1 Journal article
Year 2023 Publication Nanoscale Abbreviated Journal
Volume 15 Issue 11 Pages 5391-5402
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Electron tomography is a widely used technique for 3D structural analysis of nanomaterials, but it can cause damage to samples due to high electron doses and long exposure times. To minimize such damage, researchers often reduce beam exposure by acquiring fewer projections through tilt undersampling. However, this approach can also introduce reconstruction artifacts due to insufficient sampling. Therefore, it is important to determine the optimal number of projections that minimizes both beam exposure and undersampling artifacts for accurate reconstructions of beam-sensitive samples. Current methods for determining this optimal number of projections involve acquiring and post-processing multiple reconstructions with different numbers of projections, which can be time-consuming and requires multiple samples due to sample damage. To improve this process, we propose a protocol that combines golden ratio scanning and quasi-3D reconstruction to estimate the optimal number of projections in real-time during a single acquisition. This protocol was validated using simulated and realistic nanoparticles, and was successfully applied to reconstruct two beam-sensitive metal–organic framework complexes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000937908900001 Publication Date 2023-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.7 Times cited 1 Open Access OpenAccess
Notes H2020 European Research Council, 815128 ; H2020 Marie Skłodowska-Curie Actions, 860942 ; Approved Most recent IF: 6.7; 2023 IF: 7.367
Call Number EMAT @ emat @c:irua:195235 Serial 7260
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Author Vanschoenwinkel, J.; Vancauteren, M.; Van Passel, S.
Title How do western European farms behave and respond to climate change? A simultaneous irrigation-crop decision model Type A1 Journal article
Year 2022 Publication Climate change economics Abbreviated Journal
Volume 13 Issue 4 Pages 2250009-2250038
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract Most farm adaptations are reactive actions that run the risk of locking farm systems into suboptimal long-term trajectories. This is especially the case with regard to water management as water scarcity will be aggravated by climate change. This paper looks into farm irrigation choices in combination with crop choices because a proper crop choice has the potential to reduce water requirements. It proposes an extended Ricardian model to capture multiple adaptation decisions explicitly. The new simultaneous irrigation-crop farm decision model uses spatially detailed farm-level data of over 18,000 European farms on irrigation and seven different crop choices. The analysis shows that larger farmers and farmers in less water-scarce regions that use irrigation are more sensitive to temperature increases than rain-fed agriculture. This might be explained by the fact that these farmers do not experience the real cost of water scarcity because of which they take less efficient decisions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000791485900001 Publication Date 2022-03-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2010-0086 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:188680 Serial 7359
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Author Okamura, I.; Van Passel, S.; Fabri, C.; Senda, T.
Title A Ricardian analysis of climate change impacts on Japan's agriculture : accounting for solar radiation Type A1 Journal article
Year 2023 Publication Climate change economics Abbreviated Journal
Volume 14 Issue 4 Pages 2350022-2350025
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract This study evaluates the effects of climate change on the net revenue of farmers in Japan. We adopted the Ricardian model, which implicitly accounts for farmers’ full adaptation. The main findings of this study are as follows. First, the Ricardian regression shows that changes in temperature significantly impact farmers’ net revenue. In contrast, changes in precipitation have limited effects on farmers’ net revenue. The results of future predictions showed that the effects of climate change are positive across the country, with varying degrees between north and south. These results are more optimistic than those in the existing literature, which frequently reveal negative climate change impacts in southern Japan. However, it should be noted that this model assumes full adaptation and does not consider the transition costs of farmers, and understanding the actual adaptive measures is an important remaining issue.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001075308800001 Publication Date 2023-08-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 2010-0086 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:199659 Serial 9223
Permanent link to this record
 
 
Author Shi, P.; Ratkowsky, D.A.; Li, Y.; Zhang, L.; Lin, S.; Gielis, J.
Title A general leaf area geometric formula exists for plants evidence from the simplified Gielis equation Type A1 Journal article
Year 2018 Publication Forests (19994907) Abbreviated Journal
Volume 9 Issue 11 Pages 714
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Plant leaves exhibit diverse shapes that enable them to utilize a light resource maximally. If there were a general parametric model that could be used to calculate leaf area for different leaf shapes, it would help to elucidate the adaptive evolutional link among plants with the same or similar leaf shapes. We propose a simplified version of the original Gielis equation (SGE), which was developed to describe a variety of object shapes ranging from a droplet to an arbitrary polygon. We used this equation to fit the leaf profiles of 53 species (among which, 48 bamboo plants, 5 woody plants, and 10 geographical populations of a woody plant), totaling 3310 leaves. A third parameter (namely, the floating ratio c in leaf length) was introduced to account for the case when the theoretical leaf length deviates from the observed leaf length. For most datasets, the estimates of c were greater than zero but less than 10%, indicating that the leaf length predicted by the SGE was usually smaller than the actual length. However, the predicted leaf areas approximated their actual values after considering the floating ratios in leaf length. For most datasets, the mean percent errors of leaf areas were lower than 6%, except for a pooled dataset with 42 bamboo species. For the elliptical, lanceolate, linear, obovate, and ovate shapes, although the SGE did not fit the leaf edge perfectly, after adjusting the parameter c, there were small deviations of the predicted leaf areas from the actual values. This illustrates that leaves with different shapes might have similar functional features for photosynthesis, since the leaf areas can be described by the same equation. The anisotropy expressed as a difference in leaf shape for some plants might be an adaptive response to enable them to adapt to different habitats.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000451310300054 Publication Date 2018-11-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 1999-4907 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:156324 Serial 7389
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Author Shi, P.; Yu, K.; Niinemets, Ü.; Gielis, J.
Title Can leaf shape be represented by the ratio of leaf width to length? Evidence from nine species of Magnolia and Michelia (Magnoliaceae) Type A1 Journal article
Year 2021 Publication Forests Abbreviated Journal Forests
Volume 12 Issue 1 Pages 41
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Leaf shape is closely related to economics of leaf support and leaf functions, including light interception, water use, and CO2 uptake, so correct quantification of leaf shape is helpful for studies of leaf structure/function relationships. There are some extant indices for quantifying leaf shape, including the leaf width/length ratio (W/L), leaf shape fractal dimension (FD), leaf dissection index, leaf roundness index, standardized bilateral symmetrical index, etc. W/L ratio is the simplest to calculate, and recent studies have shown the importance of the W/L ratio in explaining the scaling exponent of leaf dry mass vs. leaf surface area and that of leaf surface area vs. leaf length. Nevertheless, whether the W/L ratio could reflect sufficient geometrical information of leaf shape has been not tested. The FD might be the most accurate measure for the complexity of leaf shape because it can characterize the extent of the self-similarity and other planar geometrical features of leaf shape. However, it is unknown how strongly different indices of leaf shape complexity correlate with each other, especially whether W/L ratio and FD are highly correlated. In this study, the leaves of nine Magnoliaceae species (>140 leaves for each species) were chosen for the study. We calculated the FD value for each leaf using the box-counting approach, and measured leaf fresh mass, surface area, perimeter, length, and width. We found that FD is significantly correlated to the W/L ratio and leaf length. However, the correlation between FD and the W/L ratio was far stronger than that between FD and leaf length for each of the nine species. There were no strong correlations between FD and other leaf characteristics, including leaf area, ratio of leaf perimeter to area, fresh mass, ratio of leaf fresh mass to area, and leaf roundness index. Given the strong correlation between FD and W/L, we suggest that the simpler index, W/L ratio, can provide sufficient information of leaf shape for similarly-shaped leaves. Future studies are needed to characterize the relationships among FD and W/L in leaves with strongly varying shape, e.g., in highly dissected leaves.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000611074700001 Publication Date 2020-12-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 1999-4907 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.951 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 1.951
Call Number UA @ admin @ c:irua:174473 Serial 7572
Permanent link to this record
 
 
Author Shi, P.; Liu, M.; Yu, X.; Gielis, J.; Ratkowsky, D.A.
Title Proportional relationship between leaf area and the product of leaf length and width of four types of special leaf shapes Type A1 Journal article
Year 2019 Publication Forests (19994907) Abbreviated Journal
Volume 10 Issue 2 Pages 178
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The leaf area, as an important leaf functional trait, is thought to be related to leaf length and width. Our recent study showed that the Montgomery equation, which assumes that leaf area is proportional to the product of leaf length and width, applied to different leaf shapes, and the coefficient of proportionality (namely the Montgomery parameter) range from 1/2 to π/4. However, no relevant geometrical evidence has previously been provided to support the above findings. Here, four types of representative leaf shapes (the elliptical, sectorial, linear, and triangular shapes) were studied. We derived the range of the estimate of the Montgomery parameter for every type. For the elliptical and triangular leaf shapes, the estimates are π/4 and 1/2, respectively; for the linear leaf shape, especially for the plants of Poaceae that can be described by the simplified Gielis equation, the estimate ranges from 0.6795 to π/4; for the sectorial leaf shape, the estimate ranges from 1/2 to π/4. The estimates based on the observations of actual leaves support the above theoretical results. The results obtained here show that the coefficient of proportionality of leaf area versus the product of leaf length and width only varies in a small range, maintaining the allometric relationship for leaf area and thereby suggesting that the proportional relationship between leaf area and the product of leaf length and width broadly remains stable during leaf evolution.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000460744000102 Publication Date 2019-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 1999-4907 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:157200 Serial 8427
Permanent link to this record
 
 
Author Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.; Stesmans, A.
Title Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2 Type A1 Journal article
Year 2012 Publication Nano Research Abbreviated Journal Nano Res
Volume 5 Issue 1 Pages 43-48
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS(2)) subjected to biaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive or tensile bi-axial strain on bi-layer and mono-layer MoS(2), the electronic properties are predicted to change from semiconducting to metallic. These changes present very interesting possibilities for engineering the electronic properties of two-dimensional structures of MoS(2).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000299085200006 Publication Date 2011-11-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 1998-0124;1998-0000; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.354 Times cited 407 Open Access
Notes Approved Most recent IF: 7.354; 2012 IF: 7.392
Call Number UA @ lucian @ c:irua:96262 Serial 3169
Permanent link to this record
 
 
Author Scalise, E.; Houssa, M.; Pourtois, G.; van den Broek, B.; Afanas'ev, V.; Stesmans, A.
Title Vibrational properties of silicene and germanene Type A1 Journal article
Year 2013 Publication Nano Research Abbreviated Journal Nano Res
Volume 6 Issue 1 Pages 19-28
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The structural and vibrational properties of two-dimensional hexagonal silicon (silicene) and germanium (germanene) are investigated by means of first-principles calculations. It is predict that the silicene (germanene) structure with a small buckling of 0.44 (0.7 ) and bond lengths of 2.28 (2.44 ) is energetically the most favorable, and it does not exhibit imaginary phonon mode. The calculated non-resonance Raman spectra of silicene is characterized by a main peak at about 575 cm(-1), namely the G-like peak. For germanene, the highest peak is at about 290 cm(-1). Extensive calculations on armchair silicene nanoribbons and armchair germanene nanoribbons are also performed, with and without hydrogenation of the edges. The studies reveal other Raman peaks mainly distributed at lower frequencies than the G-like peak which could be attributed to the defects at the edges of the ribbons, thus not present in the Raman spectra of non-defective silicene and germanene. Particularly the Raman peak corresponding to the D mode is found to be located at around 515 cm(-1) for silicene and 270 cm(-1) for germanene. The calculated G-like and the D peaks are likely the fingerprints of the Raman spectra of the low-buckled structures of silicene and germanene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000313658800003 Publication Date 2012-12-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 1998-0124;1998-0000; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.354 Times cited 105 Open Access
Notes Approved Most recent IF: 7.354; 2013 IF: 6.963
Call Number UA @ lucian @ c:irua:110106 Serial 3846
Permanent link to this record
 
 
Author van den Broek, B.; Houssa, M.; Lu, A.; Pourtois, G.; Afanas'ev, V.; Stesmans, A.
Title Silicene nanoribbons on transition metal dichalcogenide substrates : effects on electronic structure and ballistic transport Type A1 Journal article
Year 2016 Publication Nano Research Abbreviated Journal Nano Res
Volume 9 Issue 9 Pages 3394-3406
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The idea of stacking multiple monolayers of different two-dimensional materials has become a global pursuit. In this work, a silicene armchair nanoribbon of width W and van der Waals-bonded to different transition-metal dichalcogenide (TMD) bilayer substrates MoX2 and WX2, where X = S, Se, Te is considered. The orbital resolved electronic structure and ballistic transport properties of these systems are simulated by employing van der Waals-corrected density functional theory and nonequilibrium Green's functions. We find that the lattice mismatch with the underlying substrate determines the electronic structure, correlated with the silicene buckling distortion and ultimately with the contact resistance of the two-terminal system. The smallest lattice mismatch, obtained with the MoTe2 substrate, results in the silicene ribbon properties coming close to those of a freestanding one. With the TMD bilayer acting as a dielectric layer, the electronic structure is tunable from a direct to an indirect semiconducting layer, and subsequently to a metallic electronic dispersion layer, with a moderate applied perpendicular electric field.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000386770300018 Publication Date 2016-08-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 1998-0124 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.354 Times cited 2 Open Access
Notes Approved Most recent IF: 7.354
Call Number UA @ lucian @ c:irua:138210 Serial 4469
Permanent link to this record
 
 
Author Li, L.; Leenaerts, O.; Kong, X.; Chen, X.; Zhao, M.; Peeters, F.M.
Title Gallium bismuth halide GaBi-X2 (X = I, Br, Cl) monolayers with distorted hexagonal framework: Novel room-temperature quantum spin Hall insulators Type A1 Journal article
Year 2017 Publication Nano Research Abbreviated Journal Nano Res
Volume 10 Issue 10 Pages 2168-2180
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Quantum spin Hall (QSH) insulators with a large topologically nontrivial bulk gap are crucial for future applications of the QSH effect. Among these, group III-V monolayers and their halides, which have a chair structure (regular hexagonal framework), have been widely studied. Using first-principles calculations, we formulate a new structure model for the functionalized group III-V monolayers, which consist of rectangular GaBi-X-2 (X = I, Br, Cl) monolayers with a distorted hexagonal framework (DHF). These structures have a far lower energy than the GaBi-X-2 monolayers with a chair structure. Remarkably, the DHF GaBi-X-2 monolayers are all QSH insulators, which exhibit sizeable nontrivial band gaps ranging from 0.17 to 0.39 eV. The band gaps can be widely tuned by applying different spin-orbit coupling strengths, resulting in a distorted Dirac cone.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000401320700029 Publication Date 2017-04-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 1998-0124 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.354 Times cited 15 Open Access
Notes ; This work was supported by the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI. ; Approved Most recent IF: 7.354
Call Number UA @ lucian @ c:irua:143739 Serial 4598
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Author Li, H.; Zhang, L.; Li, L.; Wu, C.; Huo, Y.; Chen, Y.; Liu, X.; Ke, X.; Luo, J.; Van Tendeloo, G.
Title Two-in-one solution using insect wings to produce graphene-graphite films for efficient electrocatalysis Type A1 Journal article
Year 2019 Publication Nano Research Abbreviated Journal Nano Res
Volume 12 Issue 1 Pages 33-39
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Natural organisms contain rich elements and naturally optimized smart structures, both of which have inspired various innovative concepts and designs in human society. In particular, several natural organisms have been used as element sources to synthesize low-cost and environmentally friendly electrocatalysts for the oxygen reduction reaction (ORR) in fuel cells and metal-air batteries, which are clean energy devices. However, to date, no naturally optimized smart structures have been employed in the synthesis of ORR catalysts, including graphene-based materials. Here, we demonstrate a novel strategy to synthesize graphene-graphite films (GGFs) by heating butterfly wings coated with FeCl3 in N-2, in which the full power of natural organisms is utilized. The wings work not only as an element source for GGF generation but also as a porous supporting structure for effective nitrogen doping, two-dimensional spreading, and double-face exposure of the GGFs. These GGFs exhibit a half-wave potential of 0.942 V and a H2O2 yield of < 0.07% for ORR electrocatalysis; these values are comparable to those for the best commercial Pt/C and all previously reported ORR catalysts in alkaline media. This two-in-one strategy is also successful with cicada and dragonfly wings, indicating that it is a universal, green, and cost-effective method for developing high-performance graphene-based materials.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000453629900004 Publication Date 2018-08-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 1998-0124 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.354 Times cited 7 Open Access Not_Open_Access
Notes ; The authors would like to thank Drs Qiang Wang and Wenjuan Yuan for useful discussions. This work was financially supported by the National Key R&D Program of China (No. 2017YFA0700104), the National Natural Science Foundation of China (Nos. 21601136 and 11404016), the National Program for Thousand Young Talents of China, Tianjin Municipal Education Commission, Tianjin Municipal Science and Technology Commission (No. 15JCYBJC52600), and the Fundamental Research Fund of Tianjin University of Technology. This work also made use of the resources of the National Center for Electron Microscopy in Beijing. ; Approved Most recent IF: 7.354
Call Number UA @ admin @ c:irua:156210 Serial 5265
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Author Guzzinati, G.; Altantzis, T.; Batuk, M.; De Backer, A.; Lumbeeck, G.; Samaee, V.; Batuk, D.; Idrissi, H.; Hadermann, J.; Van Aert, S.; Schryvers, D.; Verbeeck, J.; Bals, S.
Title Recent Advances in Transmission Electron Microscopy for Materials Science at the EMAT Lab of the University of Antwerp Type A1 Journal article
Year 2018 Publication Materials Abbreviated Journal Materials
Volume 11 Issue 11 Pages 1304
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The rapid progress in materials science that enables the design of materials down to the nanoscale also demands characterization techniques able to analyze the materials down to the same scale, such as transmission electron microscopy. As Belgium’s foremost electron microscopy group, among the largest in the world, EMAT is continuously contributing to the development of TEM techniques, such as high-resolution imaging, diffraction, electron tomography, and spectroscopies, with an emphasis on quantification and reproducibility, as well as employing TEM methodology at the highest level to solve real-world materials science problems. The lab’s recent contributions are presented here together with specific case studies in order to highlight the usefulness of TEM to the advancement of materials science.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000444112800041 Publication Date 2018-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 1996-1944 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.654 Times cited 15 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, G.0502.18N, G.0267.18N, G.0120.12N, G.0365.15N, G.0934.17N, S.0100.18N AUHA13009 ; European Research Council, COLOURATOM 335078 ; Universiteit Antwerpen, GOA Solarpaint ; G. Guzzinati, T. Altantzis and A. De Backer have been supported by postdoctoral fellowship grants from the Research Foundation Flanders (FWO). Funding was also received from the European Research Council (starting grant no. COLOURATOM 335078), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no. 770887), the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0502.18N, G.0267.18N, G.0120.12N, G.0365.15N, G.0934.17N, S.0100.18N, G.0401.16N) and from the University of Antwerp through GOA project Solarpaint. Funding for the TopSPIN precession system under grant AUHA13009, as well as for the Qu-Ant-EM microscope, is acknowledged from the HERCULES Foundation. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (F.R.S.-FNRS). (ROMEO:green; preprint:; postprint:can ; pdfversion:can); saraecas; ECAS_Sara; Approved Most recent IF: 2.654
Call Number EMAT @ emat @c:irua:153737UA @ admin @ c:irua:153737 Serial 5064
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