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| Author | van der Linden, V.; Van de Casteele, E.; Thomas, M.S.; de Vos, A.; Janssen, E.; Janssens, K. | ||||
| Title | Analysis of micro computed tomography images; a look inside historic enamelled metal objects | Type | A1 Journal article | ||
| Year | 2010 | Publication | Applied physics A : materials science & processing | Abbreviated Journal | Appl Phys A-Mater |
| Volume | 98 | Issue | 2 | Pages | 385-392 |
| Keywords | A1 Journal article; Vision lab; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract  |
In this study the usefulness of micro-Computed Tomography (µ-CT) for the in-depth analysis of enamelled metal objects was tested. Usually investigations of enamelled metal artefacts are restricted to non-destructive surface analysis or analysis of cross sections after destructive sampling. Radiography, a commonly used technique in the field of cultural heritage studies, is limited to providing two-dimensional information about a three-dimensional object (Lang and Middleton, Radiography of Cultural Material, pp. 6061, Elsevier-Butterworth-Heinemann, Amsterdam-Stoneham-London, 2005). Obtaining virtual slices and information about the internal structure of these objects was made possible by CT analysis. With this technique the underlying metal work was studied without removing the decorative enamel layer. Moreover visible defects such as cracks were measured in both width and depth and as of yet invisible defects and weaker areas are visualised. All these features are of great interest to restorers and conservators as they allow a view inside these objects without so much as touching them. | ||||
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| Language | Wos | 000272158200018 | Publication Date | 2009-09-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0947-8396 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.455 | Times cited | 3 | 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 GOA “Atom” (Research Fund University of Antwerp, Belgium), FWO (Brussels, Belgium) projects nos. G.0177.03, G.0103.04 and G.0689.06. ; | Approved | Most recent IF: 1.455; 2010 IF: 1.765 | ||
| Call Number | UA @ admin @ c:irua:80421 | Serial | 5469 | ||
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| Author | Hao, Y.; Velpula, G.; Kaltenegger, M.; Bodlos, W.R.; Vibert, F.; Mali, K.S.; De Feyter, S.; Resel, R.; Geerts, Y.H.; Van Aert, S.; Beljonne, D.; Lazzaroni, R. | ||||
| Title | From 2D to 3D : bridging self-assembled monolayers to a substrate-induced polymorph in a molecular semiconductor | Type | A1 Journal article | ||
| Year | 2022 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
| Volume | 34 | Issue | 5 | Pages | 2238-2248 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
In this study, a new bottom-up approach is proposed to predict the crystal structure of the substrate-induced polymorph (SIP) of an archetypal molecular semiconductor. In spite of intense efforts, the formation mechanism of SIPs is still not fully understood, and predicting their crystal structure is a very delicate task. Here, we selected lead phthalocyanine (PbPc) as a prototypical molecular material because it is a highly symmetrical yet nonplanar molecule and we demonstrate that the growth and crystal structure of the PbPc SIPs can be templated by the corresponding physisorbed self-assembled molecular networks (SAMNs). Starting from SAMNs of PbPc formed at the solution/graphite interface, the structural and energetic aspects of the assembly were studied by a combination of in situ scanning tunneling microscopy and multiscale computational chemistry approach. Then, the growth of a PbPc SIP on top of the physisorbed monolayer was modeled without prior experimental knowledge, from which the crystal structure of the SIP was predicted. The theoretical prediction of the SIP was verified by determining the crystal structure of PbPc thin films using X-ray diffraction techniques, revealing the formation of a new polymorph of PbPc on the graphite substrate. This study clearly illustrates the correlation between the SAMNs and SIPs, which are traditionally considered as two separate but conceptually connected research areas. This approach is applicable to molecular materials in general to predict the crystal structure of their SIPs. | ||||
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| Language | Wos | 000812125800001 | Publication Date | 2022-02-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756; 1520-5002 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.6 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 8.6 | |||
| Call Number | UA @ admin @ c:irua:189086 | Serial | 7084 | ||
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| Author | Velimirovic, M.; Carniato, L.; Simons, Q.; Schoups, G.; Seuntjens, P.; Bastiaens, L. | ||||
| Title | Corrosion rate estimations of microscale zerovalent iron particles via direct hydrogen production measurements | Type | A1 Journal article | ||
| Year | 2014 | Publication | Journal of hazardous materials | Abbreviated Journal | |
| Volume | 270 | Issue | Pages | 18-26 | |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract |
In this study, the aging behavior of microscale zerovalent iron (mZVI) particles was investigated by quantifying the hydrogen gas generated by anaerobic mZVI corrosion in batch degradation experiments. Granular iron and nanoscale zerovalent iron (nZVI) particles were included in this study as controls. Firstly, experiments in liquid medium (without aquifer material) were performed and revealed that mZV1 particles have approximately a 10-30 times lower corrosion rate than nZVI particles. A good correlation was found between surface area normalized corrosion rate (R-SA) and reaction rate constants (K-SA) of PCE, TCE, cDCE and 1,1,1-TCA. Generally, particles with higher degradation rates also have faster corrosion rates, but exceptions do exists. In a second phase, the hydrogen evolution was also monitored during batch tests in the presence of aquifer material and real groundwater. A 4-9 times higher corrosion rate of mZV1 particles was observed under the natural environment in comparison with the aquifer free artificial condition, which can be attributed to the low pH of the aquifer and its buffer capacity. A corrosion model was calibrated on the batch experiments to take into account the inhibitory effects of the corrosion products (dissolved iron, hydrogen and OH-) on the iron corrosion rate. (C) 2014 Elsevier B.V. All rights reserved. | ||||
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| Language | Wos | 000335109200003 | Publication Date | 2014-02-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3894 | 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:117179 | Serial | 7738 | ||
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| Author | Radi, A.; Khalil-Allafi, J.; Etminanfar, M.R.; Pourbabak, S.; Schryvers, D.; Amin-Ahmadi, B. | ||||
| Title | Influence of stress aging process on variants of nano-N4Ti3precipitates and martensitic transformation temperatures in NiTi shape memory alloy | Type | A1 Journal article | ||
| Year | 2018 | Publication | Materials & design | Abbreviated Journal | Mater Design |
| Volume | 262 | Issue | 262 | Pages | 74-81 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
In this study, the effect of a stress aging process on the microstructure and martensitic phase transformation of NiTi shape memory alloy has been investigated. NiTi samples were aged at 450 degrees C for 1 h and 5 h under different levels of external tensile stress of 15, 60 and 150 MPa. Transmission electron microscopy (TEM) was used to characterize different variants and morphology of precipitates. The results show that application of all stress levels restricts the formation of precipitates variants in the microstructure after I h stress aging process. However, all variants can be detected by prolonging aging time to 5 h at 15 MPa stress level and the variants formation is again restricted by increasing the stress level. Moreover, the stress aging process resulted in changing the shape of precipitates in comparison with that of the stress-free aged samples. Coffee-bean shaped morphologies were detected for precipitates in all stress levels. According to the Differential Scanning Calorimetry (DSC) results, the martensite start temperature (M-s) on cooling shifts to higher temperatures with increasing the tensile stress during the aging process. This can be related to the change ofaustenite to martensite interface energy due to the different volume fractions and variants of precipitates. (c) 2018 Elsevier Ltd. All rights reserved. | ||||
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| Language | Wos | Publication Date | 2018-01-04 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0264-1275 | ISBN | Additional Links | UA library record; ; WoS full record; WoS citing articles | |
| Impact Factor | 4.364 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.364 | |||
| Call Number | UA @ lucian @ c:irua:149854 | Serial | 4938 | ||
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| Author | Liao, T.-W.; Verbruggen, S.; Claes, N.; Yadav, A.; Grandjean, D.; Bals, S.; Lievens, P. | ||||
| Title | TiO2 Films Modified with Au Nanoclusters as Self-Cleaning Surfaces under Visible Light | Type | A1 Journal article | ||
| Year | 2018 | Publication | Nanomaterials | Abbreviated Journal | Nanomaterials-Basel |
| Volume | 8 | Issue | 8 | Pages | 30 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract |
In this study, we applied cluster beam deposition (CBD) as a new approach for fabricating efficient plasmon-based photocatalytic materials. Au nanoclusters (AuNCs) produced in the gas phase were deposited on TiO2 P25-coated silicon wafers with coverage ranging from 2 to 8 atomic monolayer (ML) equivalents. Scanning Electron Microscopy (SEM) images of the AuNCs modified TiO2 P25 films show that the surface is uniformly covered by the AuNCs that remain isolated at low coverage (2 ML, 4 ML) and aggregate at higher coverage (8 ML). A clear relationship between AuNCs coverage and photocatalytic activity towards stearic acid photo-oxidation was measured, both under ultraviolet and green light illumination. TiO2 P25 covered with 4 ML AuNCs showed the best stearic acid photo-oxidation performance under green light illumination (Formal Quantum Efficiency 1.6 x 10-6 over a period of 93 h). These results demonstrate the large potential of gas-phase AuNCs beam deposition technology for the fabrication of visible light active plasmonic photocatalysts. | ||||
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| Language | Wos | 000424131600030 | Publication Date | 2018-01-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
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| ISSN | 2079-4991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.553 | Times cited | 29 | Open Access | OpenAccess |
| Notes | The research leading to these results has received funding from the European Union’s Seventh Framework Programme (FP7/2007-2013) under grant agreement n 607417 (Catsense). We also thank the Research Foundation—Flanders (FWO, Belgium), the Flemish Concerted Action (BOF KU Leuven, Project No. GOA/14/007) research program, and the microscope was partly funded by the Hercules Fund from the Flemish Government for the support. N.C. and S.B. acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). ECAS_Sara (ROMEO:green; preprint:; postprint:can ; pdfversion:can); | Approved | Most recent IF: 3.553 | ||
| Call Number | EMAT @ emat @c:irua:147898UA @ admin @ c:irua:147898 | Serial | 4805 | ||
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| Author | Reyntjens, P.; Van de Put, M.; Vandenberghe, W.G.; Sorée, B. | ||||
| Title | Ultrascaled graphene-capped interconnects : a quantum mechanical study | Type | P1 Proceeding | ||
| Year | 2023 | Publication | Proceedings of the IEEE ... International Interconnect Technology Conference T2 – IEEE International Interconnect Technology Conference (IITC) / IEEE, Materials for Advanced Metallization Conference (MAM), MAY 22-25, 2023, Dresden, Germany | Abbreviated Journal | |
| Volume | Issue | Pages | 1-3 | ||
| Keywords | P1 Proceeding; Condensed Matter Theory (CMT) | ||||
| Abstract |
In this theoretical study, we assess the impact of a graphene capping layer on the resistivity of defective, extremely scaled interconnects. We investigate the effect of graphene capping on the electronic transport in ultrascaled interconnects, in the presence of grain boundary defects in the metal layer. We compare the results obtained using our quantum mechanical model to a simple parallel-conductor model and find that the parallel-conductor model does not capture the effect of the graphene cap correctly. At 0.5 nm metal thickness, the parallel-conductor model underestimates the conductivity by 3.0% to 4.0% for single-sided and double sided graphene capping, respectively. | ||||
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| Language | Wos | 001027381700006 | Publication Date | 2023-06-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 979-83-503-1097-9 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:198343 | Serial | 8949 | ||
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| Author | Govaerts, K.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
| Title | van der Waals bonding and the quasiparticle band structure of SnO from first principles | Type | A1 Journal article | ||
| Year | 2013 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 87 | Issue | 23 | Pages | 235210-235217 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract |
In this work we have investigated the structural and electronic properties of SnO, which is built up from layers kept together by van der Waals (vdW) forces. The combination of a vdW functional within density functional theory (DFT) and quasiparticle band structure calculations within the GW approximation provides accurate values for the lattice parameters, atomic positions, and the electronic band structure including the fundamental (indirect) and the optical (direct) band gap without the need of experimental or empirical input. A systematic comparison is made between different levels of self-consistency within the GW approach {following the scheme of Shishkin et al. [Phys. Rev. B 75, 235102 (2007)]} and the results are compared with DFT and hybrid functional results. Furthermore, the effect of the vdW-corrected functional as a starting point for the GW calculation of the band gap has been investigated. Finally, we studied the effect of the vdW functional on the electron charge density. | ||||
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| Language | Wos | 000321061000003 | Publication Date | 2013-07-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 50 | Open Access | |
| Notes | IWT; FWO; Hercules | Approved | Most recent IF: 3.836; 2013 IF: 3.664 | ||
| Call Number | UA @ lucian @ c:irua:109596 | Serial | 3835 | ||
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| Author | Juchtmans, R.; Verbeeck, J. | ||||
| Title | Orbital angular momentum in electron diffraction and its use to determine chiral crystal symmetries | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review: B: condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 134108 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
In this work we present an alternative way to look at electron diffraction in a transmission electron microscope. Instead of writing the scattering amplitude in Fourier space as a set of plane waves,we use the cylindrical Fourier transform to describe the scattering amplitude in a basis of orbital angular momentum (OAM) eigenstates. We show how working in this framework can be very convenient when investigating, e.g., rotation and screw-axis symmetries. For the latter we find selection rules on the OAM coefficients that unambiguously reveal the handedness of the screw axis. Detecting the OAM coefficients of the scattering amplitude thus offers the possibility to detect the handedness of crystals without the need for dynamical simulations, the thickness of the sample, nor the exact crystal structure. We propose an experimental setup to measure the OAM components where an image of the crystal is taken after inserting a spiral phase plate in the diffraction plane and perform multislice simulations on α quartz to demonstrate how the method indeed reveals the chirality. The experimental feasibility of the technique is discussed together with its main advantages with respect to chirality determination of screw axes. The method shows how the use of a spiral phase plate can be extended from a simple phase imaging technique to a tool to measure the local OAM decomposition of an electron wave, widening the field of interest well beyond chiral space group determination. |
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| Language | Wos | 000362893100002 | Publication Date | 2015-10-14 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 16 | Open Access | |
| Notes | The authors acknowledge support from the FWO (As- pirant Fonds Wetenschappelijk Onderzoek–Vlaanderen), the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2, and ERC Starting Grant No. 278510 VORTEX; esteem2jra1; ECASJO; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | c:irua:129417 c:irua:129417UA @ admin @ c:irua:129417 | Serial | 4089 | ||
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| Author | Romano-Rodriguez, A.; Perez-Rodriguez, A.; Serre, C.; van Landuyt, J.; et al. | ||||
| Title | Epitaxial growth of \beta-SiC on ion-beam synthesized \beta-SiC : structural characterization | Type | A1 Journal article | ||
| Year | 2000 | Publication | Materials science forum T2 – International Conference on Silicon Carbide and Related Materials, OCT 10-15, 1999, RES TRIANGLE PK, NORTH CAROLINA | Abbreviated Journal | Mater Sci Forum |
| Volume | 338-3 | Issue | Pages | 309-312 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
In this work we present for the first time, to our knowledge, the CVD epitaxial growth of beta -SiC using an ion beam synthesized (IBS) beta -SiC layer as seed, which has been formed by multiple implantation into Si wafers at 500 degreesC. The ion beam synthesized continuous layer is constituted by beta -SiC nanocrystals that are well oriented relative to the silicon substrate. Comparison of the epitaxial growth on these samples with that on silicon test samples, both on and off-axis, is performed. The results show that the epitaxial growth can be achieved on the IBS samples without the need of the carbonization step and that the structural quality of the CVD layer is comparable to that obtained on a carbonized silicon sample. Improvement of the quality of the deposited layer is proposed. | ||||
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| Publisher | Trans tech publications ltd | Place of Publication | Zurich-uetikon | Editor | |
| Language | Wos | 000165996700075 | Publication Date | 0000-00-00 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0255-5476 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 2 | Open Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ lucian @ c:irua:104262 | Serial | 1071 | ||
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| Author | Mortet, V.; Zhang, L.; Eckert, M.; D'Haen, J.; Soltani, A.; Moreau, M.; Troadec, D.; Neyts, E.; De Jaeger, J.C.; Verbeeck, J.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K.; Wagner, P. | ||||
| Title | Grain size tuning of nanocrystalline chemical vapor deposited diamond by continuous electrical bias growth : experimental and theoretical study | Type | A1 Journal article | ||
| Year | 2012 | Publication | Physica status solidi : A : applications and materials science | Abbreviated Journal | Phys Status Solidi A |
| Volume | 209 | Issue | 9 | Pages | 1675-1682 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract |
In this work, a detailed structural and spectroscopic study of nanocrystalline diamond (NCD) thin films grown by a continuous bias assisted CVD growth technique is reported. This technique allows the tuning of grain size and phase purity in the deposited material. The crystalline properties of the films are characterized by SEM, TEM, EELS, and Raman spectroscopy. A clear improvement of the crystalline structure of the nanograined diamond film is observed for low negative bias voltages, while high bias voltages lead to thin films consisting of diamond grains of only ∼10 nm nanometer in size, showing remarkable similarities with so-called ultrananocrystalline diamond. These layers arecharacterized by an increasing amount of sp2-bonded carbon content of the matrix in which the diamond grains are embedded. Classical molecular dynamics simulations support the observed experimental data, giving insight in the underlying mechanism for the observed increase in deposition rate with bias voltage. Furthermore, a high atomic concentration of hydrogen has been determined in these films. Finally, Raman scattering analyses confirm that the Raman line observed at ∼1150 cm−1 cannot be attributed to trans-poly-acetylene, which continues to be reported in literature, reassigning it to a deformation mode of CHx bonds in NCD. | ||||
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| Language | Wos | 000308942100009 | Publication Date | 2012-09-04 | |
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| ISSN | 1862-6300; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.775 | Times cited | 31 | Open Access | |
| Notes | M.E. and E.N. acknowledge financial support from, respectively, the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT), and the Research Foundation-Flanders (FWO). J.V. gratefully acknowledges financial support from the GOA project “XANES meets ELNES” of the research fund of the University of Antwerp. Calculation support was provided by the University of Antwerp through the core facility CALCUA. G.V.T. acknowledges the ERC grant COUNTATOMS. The work was also financially supported by the joint UAUHasseltMethusalem “NANO” network, the Research Programs G.0068.07 and G.0555.10N of the Research Foundation-Flanders (FWO), the IAP-P6/42 project “Quantum Effects in Clusters and Nanowires”, and by the EU FP7 through the Integrated Infrastructure Initiative “ESMI” (No. 262348), the Marie Curie ITN “MATCON” (PITN-GA-2009-238201), and the Collaborative Project “DINAMO” (No. 245122). | Approved | Most recent IF: 1.775; 2012 IF: 1.469 | ||
| Call Number | UA @ lucian @ c:irua:101516UA @ admin @ c:irua:101516 | Serial | 1364 | ||
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| Author | Korneychuk, S.; Guzzinati, G.; Verbeeck, J. | ||||
| Title | Measurement of the Indirect Band Gap of Diamond with EELS in STEM | Type | A1 Journal article | ||
| Year | 2018 | Publication | Physica status solidi : A : applications and materials science | Abbreviated Journal | Phys Status Solidi A |
| Volume | 215 | Issue | 22 | Pages | 1800318 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
In this work, a simple method to measure the indirect band gap of diamond with electron energy loss spectroscopy (EELS) in transmission electron microscopy (TEM) is showed. The authors discuss the momentum space resolution achievable with EELS and the possibility of deliberately selecting specific transitions of interest. Based on a simple 2 parabolic band model of the band structure, the authors extend our predictions from the direct band gap case discussed in previous work, to the case of an indirect band gap. Finally, the authors point out the emerging possibility to partly reconstruct the band structure with EELS exploiting our simplified model of inelastic scattering and support it with experiments on diamond. | ||||
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| Language | Wos | 000450818100004 | Publication Date | 2018-07-30 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1862-6300 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.775 | Times cited | 6 | Open Access | Not_Open_Access |
| Notes | S.K. and J.V. acknowledge funding from the “Geconcentreerde Onderzoekacties” (GOA) project “Solarpaint” of the University of Antwerp. Financial support via the Methusalem “NANO” network is acknowledged. G.G. acknowledges support from a postdoctoral fellowship grant from the Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO). The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. “Geconcentreerde Onderzoekacties” (GOA) project “Solarpaint”; Methusalem “NANO” network; Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO); Hercules fund from the Flemish Government; | Approved | Most recent IF: 1.775 | ||
| Call Number | EMAT @ emat @UA @ admin @ c:irua:155402 | Serial | 5138 | ||
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| Author | Vishwakarma, M.; Kumar, M.; Hendrickx, M.; Hadermann, J.; Singh, A.P.; Batra, Y.; Mehta, B.R. | ||||
| Title | Enhancing the hydrogen evolution properties of kesterite absorber by Si-doping in the surface of CZTS thin film | Type | A1 Journal article | ||
| Year | 2021 | Publication | Advanced Materials Interfaces | Abbreviated Journal | Adv Mater Interfaces |
| Volume | Issue | Pages | 2002124 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
In this work, the effects of Si-doping in Cu2ZnSnS4 are examined computationally and experimentally. The density functional theory calculations show that an increasing concentration of Si (from x = 0 to x = 1) yields a band gap rise due to shifting of the conduction band minimum towards higher energy states in the Cu2Zn(Sn1-xSix)S-4. CZTSiS thin film prepared by co-sputtering process shows Cu2Zn(Sn1-xSix)S-4 (Si-rich) and Cu2ZnSnS4 (S-rich) kesterite phases on the surface and in the bulk of the sample, respectively. A significant change in surface electronic properties is observed in CZTSiS thin film. Si-doping in CZTS inverts the band bending at grain-boundaries from downward to upward and the Fermi level of CZTSiS shifts upward. Further, the coating of the CdS and ZnO layer improves the photocurrent to approximate to 5.57 mA cm(-2) at -0.41 V-RHE in the CZTSiS/CdS/ZnO sample, which is 2.39 times higher than that of pure CZTS. The flat band potential increases from CZTS approximate to 0.43 V-RHE to CZTSiS/CdS/ZnO approximate to 1.31 V-RHE indicating the faster carrier separation process at the electrode-electrolyte interface in the latter sample. CdS/ZnO layers over CZTSiS significantly reduce the charge transfer resistance at the semiconductor-electrolyte interface. | ||||
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| Language | Wos | 000635804900001 | Publication Date | 2021-04-02 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2196-7350 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.279 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.279 | |||
| Call Number | UA @ admin @ c:irua:177688 | Serial | 6780 | ||
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| Author | Mortazavi, B.; Bafekry, A.; Shahrokhi, M.; Rabczuk, T.; Zhuang, X. | ||||
| Title | ZnN and ZnP as novel graphene-like materials with high Li-ion storage capacities | Type | A1 Journal article | ||
| Year | 2020 | Publication | Materials today energy | Abbreviated Journal | |
| Volume | 16 | Issue | Pages | Unsp 100392-8 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract |
In this work, we employed first-principles density functional theory (DFT) calculations to investigate the dynamical and thermal stability of graphene-like ZnX (X = N, P, As) nanosheets. We moreover analyzed the electronic, mechanical and optical properties of these novel two-dimensional (2D) systems. Acquired phonon dispersion relations reveal the absence of imaginary frequencies and thus confirming the dynamical stability of predicted monolayers. According to ab-initio molecular dynamics results however only ZnN and ZnP exhibit the required thermally stability. The elastic modulus of ZnN, ZnP and ZnAs are estimated to be 31, 21 and 17 N/m, respectively, and the corresponding tensile strengths values are 6.0, 4.9 and 4.0 N/m, respectively. Electronic band structure analysis confirms the metallic electronic character for the predicted monolayers. Results for the optical characteristics also indicate a reflectivity of 100% at extremely low energy levels, which is desirable for photonic and optoelectronic applications. According to our results, graphene-like ZnN and ZnP nanosheets can yield high capacities of 675 and 556 mAh/g for Li-ion storage, respectively. Acquired results confirm the stability and acceptable strength of ZnN and ZnP nanosheets and highlight their attractive application prospects in optical and energy storage systems. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000539083500049 | Publication Date | 2020-02-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2468-6069 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.3 | Times cited | 13 | Open Access | |
| Notes | ; B. M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ; | Approved | Most recent IF: 9.3; 2020 IF: NA | ||
| Call Number | UA @ admin @ c:irua:169752 | Serial | 6655 | ||
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| Author | Zankowski, S.P.; Van Hoecke, L.; Mattelaer, F.; de Raedt, M.; Richard, O.; Detavernier, C.; Vereecken, P.M. | ||||
| Title | Redox layer deposition of thin films of MnO2 on nanostructured substrates from aqueous solutions | Type | A1 Journal article | ||
| Year | 2019 | Publication | Chemistry of materials | Abbreviated Journal | |
| Volume | 31 | Issue | 13 | Pages | 4805-4816 |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract |
In this work, we report a new method for depositing thin films of MnO2 on planar and complex nanostructured surfaces, with high precision and conformality. The method is based on repeating cycles of adsorption of an unsaturated alcohol on a surface, followed by its oxidation with aqueous KMnO4 and formation of thin, solid MnO2. The amount of manganese oxide formed in each cycle is limited by the quantity of the adsorbed alcohol; thus, the growth exhibits the self-limiting characteristics of atomic layer deposition (ALD). Contrary to the typical ALD, however, the new redox layer deposition is performed in air, at room temperature, using common chemicals and simple laboratory glassware, which greatly reduces its cost and complexity. We also demonstrate application of the method for the fabrication of a nanostructured MnO2/Ni electrode, which was not possible with thermal ALD because of the rapid decomposition of the gaseous precursor on the high surface-area substrate. Thanks to its simplicity, the conformal deposition of MnO2 can be easily upscaled and thus exploited for its numerous (electro)chemical applications. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000475408400021 | Publication Date | 2019-06-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756; 1520-5002 | 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:161225 | Serial | 8465 | ||
| Permanent link to this record | |||||
| Author | Li, W.; Tong, W.; Yadav, A.; Bladt, E.; Bals, S.; Funston, A.M.; Etheridge, J. | ||||
| Title | Shape control beyond the seeds in gold nanoparticles | Type | A1 Journal article | ||
| Year | 2021 | Publication | Chemistry Of Materials | Abbreviated Journal | Chem Mater |
| Volume | 33 | Issue | 23 | Pages | 9152-9164 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
In typical seed-mediated syntheses of metal nanocrystals, the shape of the nanocrystal is determined largely by the seed nucleation environment and subsequent growth environment (where “environment” refers to the chemical environment, including the surfactant and additives). In this approach, crystallinity is typically determined by the seeds, and surfaces are controlled by the environment(s). However, surface energies, and crystallinity, are both influenced by the choice of environment(s). This limits the permutations of crystallinity and surface facets that can be mixed and matched to generate new nanocrystal morphologies. Here, we control post-seed growth to deliberately incorporate twin planes during the growth stage to deliver new final morphologies, including twinned cubes and bipyramids from single-crystal seeds. The nature and number of twin planes, together with surfactant control of facet growth, define the final nanoparticle morphology. Moreover, by breaking symmetry, the twin planes introduce new facet orientations. This additional mechanism opens new routes for the synthesis of different morphologies and facet orientations. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000753956100012 | Publication Date | 0000-00-00 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756; 1520-5002 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.466 | Times cited | 3 | Open Access | Not_Open_Access |
| Notes | This work was supported by the Australian Research Council (ARC) Grants DP160104679 and CE170100026 and used microscopes at the Monash Centre for Electron Microscopy funded by ARC Grants LE0454166, LE110100223, and LE140100104. W.L. thanks the support of the Australian Government Research Training Program (RTP) scholarship. W.T. thanks the Australian Department of Education and Monash University for the IPRS and APA scholarships. E.B. acknowledges financial support and a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). The authors thank Dr. Matthew Weyland and Dr. Tim Peterson for helpful discussions. A.Y. thanks the support from Post Graduation Publication Award (PPA) scholarship from Monash University. | Approved | Most recent IF: 9.466 | ||
| Call Number | UA @ admin @ c:irua:187229 | Serial | 7065 | ||
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| Author | Erfurt, D.; Koida, T.; Heinemann, M.D.; Li, C.; Bertram, T.; Nishinaga, J.; Szyszka, B.; Shibata, H.; Klenk, R.; Schlatmann, R. | ||||
| Title | Impact of rough substrates on hydrogen-doped indium oxides for the application in CIGS devices | Type | A1 Journal article | ||
| Year | 2020 | Publication | Solar Energy Materials And Solar Cells | Abbreviated Journal | Sol Energ Mat Sol C |
| Volume | 206 | Issue | Pages | 110300 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
Indium oxide based transparent conductive oxides (TCOs) are promising contact layers in solar cells due to their outstanding electrical and optical properties. However, when applied in Cu(In,Ga)Se-2 or Si-hetero-junction solar cells the specific roughness of the material beneath can affect the growth and the properties of the TCO. We investigated the electrical properties of hydrogen doped and hydrogen-tungsten co-doped indium oxides grown on rough Cu(In,Ga)Se-2 samples as well as on textured and planar glass. At sharp ridges and V-shaped valleys crack-shaped voids form inside the indium oxide films, which limit the effective electron mobility of the In2O3:H and In2O3:H,W thin films. This was found for films deposited by magnetron sputtering and reactive plasma deposition at several deposition parameters, before as well as after annealing and solid phase crystallization. This suggests universal behavior that will have a wide impact on solar cell devices. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000519653800038 | Publication Date | 2019-11-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0927-0248 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.9 | Times cited | 5 | Open Access | OpenAccess |
| Notes | ; This work was supported by the German Federal Ministry for Economic Affairs and Energy under contract number 0325762G (TCO4CIGS). The authors thank M. Hartig, K. Mayer-Stillrich, I. Dorbandt, B. Bunn, M. Kirsch for technical support. C. Li is grateful for financial support from Max Planck Society, Germany and technical support from the MPI FKF StEM group members. ; | Approved | Most recent IF: 6.9; 2020 IF: 4.784 | ||
| Call Number | UA @ admin @ c:irua:168668 | Serial | 6544 | ||
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| Author | Tessier, M.D.; Baquero, E.A.; Dupont, D.; Grigel, V.; Bladt, E.; Bals, S.; Coppel, Y.; Hens, Z.; Nayral, C.; Delpech, F. | ||||
| Title | Interfacial oxidation and photoluminescence of InP-Based core/shell quantum dots | Type | A1 Journal article | ||
| Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
| Volume | 30 | Issue | 30 | Pages | 6877-6883 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
Indium phosphide colloidal quantum dots (QDs) are emerging as an efficient cadmium-free alternative for optoelectronic applications. Recently, syntheses based on easy-to-implement aminophosphine precursors have been developed. We show by solid-state nuclear magnetic resonance spectroscopy that this new approach allows oxide-free indium phosphide core or core/shell quantum dots to be made. Importantly, the oxide-free core/shell interface does not help in achieving higher luminescence efficiencies. We demonstrate that in the case of InP/ZnS and InP/ZnSe QDs, a more pronounced oxidation concurs with a higher photoluminescence efficiency. This study suggests that a II-VI shell on a III-V core generates an interface prone to defects. The most efficient InP/ZnS or InP/ZnSe QDs are therefore made with an oxide buffer layer between the core and the shell: it passivates these interface defects but also results in a somewhat broader emission line width. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | American Chemical Society | Place of Publication | Washington, D.C | Editor | |
| Language | Wos | 000447237800031 | Publication Date | 2018-09-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.466 | Times cited | 74 | Open Access | OpenAccess |
| Notes | ; The authors thank L. Biadala and C. Delerue for fruitful discussion. Z.H. acknowledges support by the European Commission via the Marie-Sklodowska Curie action Phonsi (H2020-MSCA-ITN-642656), by Research Foundation Flanders (Project 17006602), and by Ghent University (GOA No. 01G01513). Z.H., M.D.T., and D.D. acknowledge the Strategisch Initiatief Materialen in Vlaanderen of Agentschap Innoveren en Ondernemen (SIM VLAIO), vzw (SBO-QDOCCO, ICON-QUALIDI). This work was supported by the Universite Paul Sabatier, the Region Midi-Pyrenees, the CNRS, the Institut National des Sciences Appliquees of Toulouse, and the Agence Nationale pour la Recherche (Project ANR-13-IS10-0004-01). E.A.B. is grateful to Marie Curie Actions and Campus France for a PRESTIGE postdoc fellowship (FP7 /2007-2013) under REA Grant Agreement PCOFUND-GA-2013-609102. E.B. acknowledges financial support from Research Foundation Flanders (FWO). ; | Approved | Most recent IF: 9.466 | ||
| Call Number | UA @ lucian @ c:irua:154732UA @ admin @ c:irua:154732 | Serial | 5109 | ||
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| Author | Mulder, J.T.; Kirkwood, N.; De Trizio, L.; Li, C.; Bals, S.; Manna, L.; Houtepen, A.J. | ||||
| Title | Developing lattice matched ZnMgSe shells on InZnP quantum dots for phosphor applications | Type | A1 Journal article | ||
| Year | 2020 | Publication | ACS applied nano materials | Abbreviated Journal | |
| Volume | 3 | Issue | 4 | Pages | 3859-3867 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
Indium phosphide quantum dots (QDs) have drawn attention as alternatives to cadmium- and lead-based QDs that are currently used as phosphors in lamps and displays. The main drawbacks of InP QDs are, in general, a lower photoluminescence quantum yield (PLQY), a decreased color purity, and poor chemical stability. In this research, we attempted to increase the PLQY and stability of indium phosphide QDs by developing lattice matched InP/MgSe core-shell nanoheterostructures. The choice of MgSe comes from the fact that, in theory, it has a near-perfect lattice match with InP, provided MgSe is grown in the zinc blende crystal structure, which can be achieved by alloying with zinc. To retain lattice matching, we used Zn in both the core and shell and we fabricated InZnP/ZnxMg1-xSe core/shell QDs. To identify the most suitable conditions for the shell growth, we first developed a synthesis route to ZnxMg1-xSe nanocrystals (NCs) wherein Mg is effectively incorporated. Our optimized procedure was employed for the successful growth of ZnxMg1-xSe shells around In(Zn)P QDs. The corresponding core/ shell systems exhibit PLQYs higher than those of the starting In(Zn)P QDs and, more importantly, a higher color purity upon increasing the Mg content. The results are discussed in the context of a reduced density of interface states upon using better lattice matched ZnxMg1-xSe shells. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000529206200076 | Publication Date | 2020-03-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2574-0970 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.9 | Times cited | 22 | Open Access | OpenAccess |
| Notes | ; This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 766900 (testing the large-scale limit of quantum mechanics). A.J.H. acknowledges support from the European Research Council Horizon 2020 ERC Grant Agreement No. 678004 (Doping on Demand). This research is supported by the Dutch Technology Foundation TTW, which is part of The Netherlands Organization for Scientific Research (NWO) and which is partly funded by Ministry of Economic Affairs. The authors thank Wiel Evers for performing the TEM imaging and the EDX analysis. The authors also thank Lea Pasquale and Mirko Prato for their help with performing and analyzing the XPS measurements and Filippo Drago for the ICP measurements. ; | Approved | Most recent IF: 5.9; 2020 IF: NA | ||
| Call Number | UA @ admin @ c:irua:169563 | Serial | 6482 | ||
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| Author | Alvarado-Alvarado, A.A.; Smets, W.; Irga, P.; Denys, S. | ||||
| Title | Engineering green wall botanical biofiltration to abate indoor volatile organic compounds : a review on mechanisms, phyllosphere bioaugmentation, and modeling | Type | A1 Journal article | ||
| Year | 2024 | Publication | Journal of hazardous materials | Abbreviated Journal | |
| Volume | 465 | Issue | Pages | 133491-16 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract |
Indoor air pollution affects the global population, especially in developed countries where people spend around 90% of their time indoors. The recent pandemic exacerbated the exposure by relying on indoor spaces and a teleworking lifestyle. VOCs are a group of indoor air pollutants with harmful effects on human health at low concentrations. It is widespread that plants can remove indoor VOCs. To this day, research has combined principles of phytoremediation, biofiltration, and bioremediation into a holistic and sustainable technology called botanical biofiltration. Overall, it is sustained that its main advantage is the capacity to break down and biodegrade pollutants using low energy input. This differs from traditional systems that transfer VOCs to another phase. Furthermore, it offers additional benefits like decreased indoor air health costs, enhanced work productivity, and well-being. However, many disparities exist within the field regarding the role of plants, substrate, and phyllosphere bacteria. Yet their role has been theorized; its stability is poorly known for an engineering approach. Previous research has not addressed the bioaugmentation of the phyllosphere to increase the performance, which could boost the system. Moreover, most experiments have studied passive potted plant systems at a lab scale using small chambers, making it difficult to extrapolate findings into tangible parameters to engineer the technology. Active systems are believed to be more efficient yet require more maintenance and knowledge expertise; besides, the impact of the active flow on the long term is not fully understood. Besides, modeling the system has been oversimplified, limiting the understanding and optimization. This review sheds light on the field’s gains and gaps, like concepts, experiments, and modeling. We believe that embracing a multidisciplinary approach encompassing experiments, multiphysics modeling, microbial community analysis, and coworking with the indoor air sector will enable the optimization of the technology and facilitate its adoption. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2024-01-11 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3894 | ISBN | Additional Links | UA library record | |
| Impact Factor | 13.6 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 13.6; 2024 IF: 6.065 | |||
| Call Number | UA @ admin @ c:irua:202311 | Serial | 9030 | ||
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| Author | Pop, N.; Pralong, V.; Caignaert, V.; Colin, J.F.; Malo, S.; Van Tendeloo, G.; Raveau, B. | ||||
| Title | Topotactic transformation of the cationic conductor Li4Mo5O17 into a rock salt type oxide Li12Mo5O17 | Type | A1 Journal article | ||
| Year | 2009 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
| Volume | 21 | Issue | 14 | Pages | 3242-3250 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
Intercalation of lithium in the ribbon structure Li4Mo5O17 has been achieved, using both electrochemistry and soft chemistry. The ab initio structure determination of the ¡°Mo−O¡± framework of Li12Mo5O17 shows that the [Mo5O17]¡Þ ribbons keep the same arrangement of edge sharing MoO6 octahedra and the same orientation as in the parent structure but that a topotactic antidistortion of the ribbons appears, as a result of the larger size of Mo4+ in ¡°Li12¡± compared to Mo6+ in ¡°Li4¡±. On the basis of bond valence calculations, it is observed that 12 octahedral sites are available for Li+ in the new structure so that an ordered hypothetical rock salt type structure can be proposed for Li12Mo5O17. After the first Li insertion, a stable reversible capacity of 100 mA¡¤h/g is maintained after 20 cycles. A complete structural reversibility leading back to the ribbon type Li4Mo5O17 structure is obtained using a very low rate of C/100. The exploration of the Li mobility in those oxides shows that Li4Mo5O17 is a cationic conductor with ¦Ò = 10−3.5 S/cm at 500 ¡ãC and Ea = 0.35 eV. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | 000268174400032 | Publication Date | 2009-06-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756;1520-5002; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.466 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 9.466; 2009 IF: 5.368 | |||
| Call Number | UA @ lucian @ c:irua:78285 | Serial | 3682 | ||
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| Author | Spreitzer, M.; Egoavil, R.; Verbeeck, J.; Blank, D.H.A.; Rijnders, G. | ||||
| Title | Pulsed laser deposition of SrTiO3 on a H-terminated Si substrate | Type | A1 Journal article | ||
| Year | 2013 | Publication | Journal of materials chemistry C : materials for optical and electronic devices | Abbreviated Journal | J Mater Chem C |
| Volume | 1 | Issue | 34 | Pages | 5216-5222 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
Interfacing oxides with silicon is a long-standing problem related to the integration of multifunctional oxides with semiconductor devices and the replacement of SiO2 with high-k gate oxides. In our study, pulsed laser deposition was used to prepare a SrTiO3 (STO) thin film on a H-terminated Si substrate. The main purpose of our work was to verify the ability of H-termination against the oxidation of Si during the PLD process and to analyze the resulting interfaces. In the first part of the study, the STO was deposited directly on the Si, leading to the formation of a preferentially textured STO film with a (100) orientation. In the second part, SrO was used as a buffer layer, which enabled the partial epitaxial growth of STO with STO(110)parallel to Si(100) and STO[001]parallel to Si[001]. The change in the growth direction induced by the application of a SrO buffer was governed by the formation of a SrO(111) intermediate layer and subsequently by the minimization of the lattice misfit between the STO and the SrO. Under the investigated conditions, approximately 10 nm thick interfacial layers formed between the STO and the Si due to reactions between the deposited material and the underlying H-terminated Si. In the case of direct STO deposition, SiOx formed at the interface with the silicon, while in the case when SrO was used as a buffer, strontium silicate grew directly on the silicon, which improves the growth quality of the uppermost STO. | ||||
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| Language | Wos | 000322911900005 | Publication Date | 2013-07-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2050-7526;2050-7534; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.256 | Times cited | 23 | Open Access | |
| Notes | Ifox; Esteem2; Vortex; Countatoms; esteem2jra3 ECASJO; | Approved | Most recent IF: 5.256; 2013 IF: NA | ||
| Call Number | UA @ lucian @ c:irua:110798UA @ admin @ c:irua:110798 | Serial | 2739 | ||
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| Author | Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W. | ||||
| Title | Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations | Type | A1 Journal article | ||
| Year | 2012 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 85 | Issue | 5 | Pages | 054116-054116,7 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K). | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000300931900004 | Publication Date | 2012-02-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 2012 IF: 3.767 | |||
| Call Number | UA @ lucian @ c:irua:97201 | Serial | 3117 | ||
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| Author | He, Z.; Maurice, J.-L.; Gohier, A.; Lee, C.S.; Pribat, D.; Cojocaru, C.S. | ||||
| Title | Iron catalysts for the growth of carbon nanofibers : Fe, Fe3C or both? | Type | A1 Journal article | ||
| Year | 2011 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
| Volume | 23 | Issue | 24 | Pages | 5379-5387 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
Iron is a widely used catalyst for the growth of carbon nanotubes (CNTs) or carbon nanofibers (CNFs) by catalytic chemical vapor deposition. However, both Fe and FeC compounds (generally, Fe3C) have been found to catalyze the growth of CNTs/CNFs, and a comparison study of their respective catalytic activities is still missing. Furthermore, the control of the crystal structure of iron-based catalysts, that is α-Fe or Fe3C, is still a challenge, which not only obscures our understanding of the growth mechanisms of CNTs/CNFs, but also complicates subsequent procedures, such as the removal of catalysts for better industrial applications. Here, we show a partial control of the phase of iron catalysts (α-Fe or Fe3C), obtained by varying the growth temperatures during the synthesis of carbon-based nanofibers/nanotubes in a plasma-enhanced chemical vapor deposition reactor. We also show that the structure of CNFs originating from Fe3C is bamboo-type, while that of CNFs originating from Fe is not. Moreover, we directly compare the growth rates of carbon-based nanofibers/nanotubes during the same experiments and find that CNFs/CNTs grown by α-Fe nanoparticles are longer than CNFs grown from Fe3C nanoparticles. The influence of the type of catalyst on the growth of CNFs is analyzed and the corresponding possible growth mechanisms, based on the different phases of the catalysts, are discussed. | ||||
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| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | 000298197300014 | Publication Date | 2011-11-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0897-4756;1520-5002; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.466 | Times cited | 91 | Open Access | |
| Notes | Approved | Most recent IF: 9.466; 2011 IF: 7.286 | |||
| Call Number | UA @ lucian @ c:irua:94297 | Serial | 1748 | ||
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| Author | Filippousi, M.; Angelakeris, M.; Katsikini, M.; Paloura, E.; Efthimiopoulos, I.; Wang, Y.; Zamboulis, D.; Van Tendeloo, G. | ||||
| Title | Surfactant effects on the structural and magnetic properties of iron oxide nanoparticles | Type | A1 Journal article | ||
| Year | 2014 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
| Volume | 118 | Issue | 29 | Pages | 16209-16217 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
Iron oxide nanoparticles were prepared using the simplest and most efficient chemical route, the coprecipitation, in the absence and the presence of three different and widely used surfactants. The purpose of this study is to investigate the possible influence of the different surfactants on the structure and therefore on the magnetic properties of the iron oxide nanoparticles. Thus, different techniques were employed in order to elucidate the composition and structure of the magnetic iron oxide nanoparticles. By combining transmission electron microscopy with X-ray powder diffraction and X-ray absorption fine structure measurements, we were able to determine and confirm the crystal structure of the constituent iron oxides. The magnetic properties were investigated by measuring the hysteresis loops where the surfactant influence on their collective magnetic behavior and subsequent AC magnetic hyperthermia response is apparent. The results indicate that the produced iron oxide nanoparticles may be considered as good candidates for biomedical applications in hyperthermia treatments because of their high heating capacity exhibited under an alternating magnetic field, which is sufficient to provoke damage to the cancer cells. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | 000339540700073 | Publication Date | 2014-07-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447;1932-7455; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.536 | Times cited | 47 | Open Access | |
| Notes | European Research Council under the seventh Framework Program (FP7); ERC Grant No. 246791 – COUNTATOMS; IAP-AIP functional Supramolecular structure IUAP P7/05 | Approved | Most recent IF: 4.536; 2014 IF: 4.772 | ||
| Call Number | UA @ lucian @ c:irua:118129 | Serial | 3398 | ||
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| Author | Yang, M.; Chen, H.; Orekhov, A.; Lu, Q.; Lan, X.; Li, K.; Zhang, S.; Song, M.; Kong, Y.; Schryvers, D.; Du, Y. | ||||
| Title | Quantified contribution of β″ and β′ precipitates to the strengthening of an aged Al–Mg–Si alloy | Type | A1 Journal article | ||
| Year | 2020 | Publication | Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing | Abbreviated Journal | Mat Sci Eng A-Struct |
| Volume | 774 | Issue | Pages | 138776 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
It is generally believed that β00 precipitates, rather than β0 precipitates, are the major strengthening precipitates in aged Al–Mg–Si alloys. The reason for this difference is not well understood. To clarify this, two samples of the same Al–Mg–Si alloy but with different aging states were prepared. The under-aged sample only contains nanoprecipitates of the β00 type, while the peak-aged one contains nearly equal volumes of β00 and β0 precipitates. We have, for the first time, separated the strengthening effect of the contribution from βʺ and βʹ precipitates, respectively, by an indirect approach based on high-precision measurements of volume fractions, number densities, sizes, proportions of the precipitates, their lattice strains, the composition and grain size of the matrix. The β0 precipitates, which take 45.6% of the total precipitate volume in the peak-aged sample, contribute to the entire precipitation strengthening by only 31.6%. The main reason why they are less useful compared to β00 precipitates has been found to be associated with their smaller lattice strains relative to the matrix, which is 0.99% versus 2.10% (for β00 ). |
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000514747200001 | Publication Date | 2019-12-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0921-5093 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.4 | Times cited | Open Access | OpenAccess | |
| Notes | National Natural Science Foundation of China, 51531009 51711530713 51501230 ; Central South University, 2018gczd033 ; Flemish Science Foundation, VS.026.18N ; Program for Guangdong Introducing Innovative and Entrepreneurial Teams, 2016ZT06G025 ; Guangdong Natural Science Foundation, 2017B030306014 ; | Approved | Most recent IF: 6.4; 2020 IF: 3.094 | ||
| Call Number | EMAT @ emat @c:irua:165290 | Serial | 5440 | ||
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| Author | De Clercq, M.; Moors, K.; Sankaran, K.; Pourtois, G.; Dutta, S.; Adelmann, C.; Magnus, W.; Sorée, B. | ||||
| Title | Resistivity scaling model for metals with conduction band anisotropy | Type | A1 Journal article | ||
| Year | 2018 | Publication | Physical review materials | Abbreviated Journal | |
| Volume | 2 | Issue | 3 | Pages | 033801 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract |
It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the impact of crystal orientation on resistivity scaling. The crystal orientation cannot be captured by the commonly used resistivity scaling models and a qualitative understanding of its impact is currently lacking. In this work, we derive a resistivity scaling model that captures grain boundary and boundary surface scattering as well as the anisotropy of the band structure. The model is applied to Cu and Ru thin films, whose conduction bands are (quasi-) isotropic and anisotropic, respectively. After calibrating the anisotropy with ab initio simulations, the resistivity scaling models are compared to experimental resistivity data and a renormalization of the fitted grain boundary reflection coefficient can be identified for textured Ru. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | American Physical Society | Place of Publication | College Park, Md | Editor | |
| Language | Wos | 000426787600001 | Publication Date | 2018-03-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2475-9953 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | ; The authors acknowledge the support by the Fonds National de la Recherche Luxembourg (ATTRACT Grant No. 7556175). ; | Approved | Most recent IF: NA | ||
| Call Number | UA @ lucian @ c:irua:149866UA @ admin @ c:irua:149866 | Serial | 4947 | ||
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| Author | Omranian, S.R.; Geluykens, M.; Van Hal, M.; Hasheminejad, N.; Rocha Segundo, I.; Pipintakos, G.; Denys, S.; Tytgat, T.; Fraga Freitas, E.; Carneiro, J.; Verbruggen, S.; Vuye, C. | ||||
| Title | Assessing the potential of application of titanium dioxide for photocatalytic degradation of deposited soot on asphalt pavement surfaces | Type | A1 Journal article | ||
| Year | 2022 | Publication | Construction and building materials | Abbreviated Journal | Constr Build Mater |
| Volume | 350 | Issue | Pages | 128859-13 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract |
It is known that pollutants and their irreparable influence can considerably jeopardize the environment and human health. Such disastrous, growing, hazardous particles urged researchers to find effective ways and diminish their destructive impacts and preserve our planet. This study evaluates the potential of incorporating Titanium Dioxide (TiO2) semiconductor nanoparticles on asphalt pavements to degrade pollutants without compromising bitumen performance. Accordingly, the Response Surface Method (RSM) was employed to develop an experimental matrix based on the central composite design. Image Analysis (IA) was used to determine the rate of soot degradation (as pollutant representative) using MATLAB and ImageJ software. Confocal Laser Scanning Microscopy (CLSM), Fourier Transform Infrared spectroscopy (FTIR), and Dynamic Shear Rheometer (DSR) were finally carried out to estimate the effects of adding different percentages of TiO2 on the micro -structural features and dispersion of the TiO2, chemical fingerprinting, and rheological performance of the bituminous binder. The results showed a promising potential of TiO2 to degrade soot (over 50%) during the conducted experiments. In addition, the RSM outcomes showed that applying a higher amount of TiO2 is more efficient for pollutant degradation. Finally, no negative impact was observed, neither on the rheological behavior nor on the aging susceptibility of the bitumen, even though the homogenous dispersion of the TiO2 was clearly captured via CLSM. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000848227000001 | Publication Date | 2022-08-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0950-0618 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.4 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 7.4 | |||
| Call Number | UA @ admin @ c:irua:189820 | Serial | 7128 | ||
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| Author | Zhang, H.; Gauquelin, N.; McMahon, C.; Hawthorn, D.G.; Botton, G.A.; Wei, J.Y.T. | ||||
| Title | Synthesis of high-oxidation Y-Ba-Cu-O phases in superoxygenated thin films | Type | A1 Journal article | ||
| Year | 2018 | Publication | Physical review materials | Abbreviated Journal | |
| Volume | 2 | Issue | 3 | Pages | 033803 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
It is known that solid-state reaction in high-pressure oxygen can stabilize high-oxidation phases of Y-Ba-Cu-O superconductors in powder form. We extend this superoxygenation concept of synthesis to thin films which, due to their large surface-to-volume ratio, are more reactive thermodynamically. Epitaxial thin films of YBa2Cu3O7-delta grown by pulsed laser deposition are annealed at up to 700 atm O-2 and 900 degrees C, in conjunction with Cu enrichment by solid-state diffusion. The films show the clear formation of Y2Ba4Cu7O15-delta and Y2Ba4Cu8O16 as well as regions of YBa2Cu5O9-delta and YBa2Cu6O10-delta phases, according to scanning transmission electron microscopy, x-ray diffraction, and x-ray absorption spectroscopy. Similarly annealed YBa2Cu3O7-delta powders show no phase conversion. Our results demonstrate a route of synthesis towards discovering more complex phases of cuprates and other superconducting oxides. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | American Physical Society | Place of Publication | College Park, Md | Editor | |
| Language | Wos | 000428244900004 | Publication Date | 2018-03-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2475-9953 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 2 | Open Access | Not_Open_Access | |
| Notes | ; This work is supported by NSERC, CFI-OIT, and CIFAR. The electron microscopy work was carried out at the Canadian Centre for Electron Microscopy, a National Facility supported by the Canada Foundation for Innovation under the Major Science Initiative program, McMaster University, and NSERC. The XAS work was performed at the Canadian Light Source, which is supported by NSERC, NRC, CIHR, and the University of Saskatchewan. ; | Approved | Most recent IF: NA | ||
| Call Number | UA @ lucian @ c:irua:150829 | Serial | 4982 | ||
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| Author | Croitoru, M.D.; Shanenko, A.A.; Kaun, C.C.; Peeters, F.M. | ||||
| Title | Metallic nanograins : spatially nonuniform pairing induced by quantum confinement | Type | A1 Journal article | ||
| Year | 2011 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 83 | Issue | 21 | Pages | 214509-214509,12 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract |
It is well known that the formation of discrete electron levels strongly influences the pairing in metallic nanograins. Here, we focus on another effect of quantum confinement in superconducting grains that was not studied previously, i.e., spatially nonuniform pairing. This effect is very significant when single-electron levels form bunches and/or a kind of shell structure. We find that, in highly symmetric grains, the order parameter can exhibit variations with position by an order of magnitude. Nonuniform pairing is closely related to a quantum-confinement-induced modification of the pairing-interaction matrix elements and size-dependent pinning of the chemical potential to groups of degenerate or nearly degenerate levels. For illustrative purposes, we consider spherical metallic nanograins and also rectangular shapes. We show that the relevant matrix elements are, as a rule, enhanced in the presence of quantum confinement, which favors spatial variations of the order parameter, compensating the corresponding energy cost. The size-dependent pinning of the chemical potential further increases the spatial variation of the pair condensate. The role of nonuniform pairing is smaller in less symmetric confining geometries and/or in the presence of disorder. However, it always remains of importance when the energy spacing between discrete electron levels δ is approaching the scale of the bulk gap ΔB, i.e., δ>0.10.2 ΔB. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000291310000006 | Publication Date | 2011-06-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 23 | Open Access | |
| Notes | ; This work was supported by the Alexander von Humboldt Foundation, the Flemish Science Foundation (FWO-VI), and the Belgian Science Policy (IAP). M. D. C. acknowledges support of the European Community under a Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR). ; | Approved | Most recent IF: 3.836; 2011 IF: 3.691 | ||
| Call Number | UA @ lucian @ c:irua:90081 | Serial | 2010 | ||
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| Author | Goris, B.; Bals, S.; van den Broek, W.; Carbó-Argibay, E.; Gómez-Graña, S.; Liz-Marzán, L.M.; Van Tendeloo, G. | ||||
| Title | Atomic-scale determination of surface facets in gold nanorods | Type | A1 Journal article | ||
| Year | 2012 | Publication | Nature materials | Abbreviated Journal | Nat Mater |
| Volume | 11 | Issue | 11 | Pages | 930-935 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract |
It is widely accepted that the physical properties of nanostructures depend on the type of surface facets1, 2. For Au nanorods, the surface facets have a major influence on crucial effects such as reactivity and ligand adsorption and there has been controversy regarding facet indexing3, 4. Aberration-corrected electron microscopy is the ideal technique to study the atomic structure of nanomaterials5, 6. However, these images correspond to two-dimensional (2D) projections of 3D nano-objects, leading to an incomplete characterization. Recently, much progress was achieved in the field of atomic-resolution electron tomography, but it is still far from being a routinely used technique. Here we propose a methodology to measure the 3D atomic structure of free-standing nanoparticles, which we apply to characterize the surface facets of Au nanorods. This methodology is applicable to a broad range of nanocrystals, leading to unique insights concerning the connection between the structure and properties of nanostructures. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000310434600015 | Publication Date | 2012-10-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1476-1122;1476-4660; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 39.737 | Times cited | 261 | Open Access | |
| Notes | 262348 ESMI; Hercules 3; 24691 COUNTATOMS; 267867 PLASMAQUO | Approved | Most recent IF: 39.737; 2012 IF: 35.749 | ||
| Call Number | UA @ lucian @ c:irua:101778 | Serial | 182 | ||
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