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Author | Gielis, J.; Brasili, S. | ||||
Title | The apeirogon and dual numbers | Type | A1 Journal article | ||
Year | 2021 | Publication | Symmetry : culture and science | Abbreviated Journal | |
Volume | 32 | Issue | 2 | Pages | 157-160 |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | The richness, diversity, connection, depth and pleasure of studying symmetry continue to open doors. Here we report a connection between Coxeter's Apeirogon and the geometry associated with pictorial space, parabolic rotation and dual numbers. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000670122100011 | Publication Date | 2021-07-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0865-4824 | 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:179759 | Serial | 8652 | ||
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Author | Peeters, M.; Compernolle, T.; Van Passel, S. | ||||
Title | Leasing out unused meeting room capacity to reduce future office space needs : a case study of The Hague, Netherlands | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal of building engineering | Abbreviated Journal | |
Volume | 44 | Issue | Pages | 102953 | |
Keywords | A1 Journal article; Economics; Engineering sciences. Technology; Economics; Engineering Management (ENM) | ||||
Abstract | Meeting rooms are reserved 30% of working hours but only used for 20% of that time. By implementing a strategy where the available capacity is leased to the wider market rather than just the building users, there is a positive impact on the economic, environmental, and social factors of the building and its surroundings. This study uses the building 'The Globe' in The Hague as a case study, and then projects the results to the entire city. In case of The Globe, implementing a lease out strategy achieves a reduction of 36% of the annual rent of the meeting rooms to the building's tenant. The owner benefits from a revenue increase of 12.5%, with the same operational expenses (except the reservation system), leading to a proportional higher valuation of the building. Annual energy consumption may be lowered by 6.2%. This study contributes to the literature by considering the total benefits that could be obtained by more efficient use of office space that is currently underused. The application of technology generates added value for economic, environmental, and social factors. These factors are important in real estate as they (among others) have a direct link to the Environmental, Social and Governance (ESG) analysis that investors make before proceeding with an investment. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000701698300003 | Publication Date | 2021-07-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2352-7102 | 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:182469 | Serial | 6936 | ||
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Author | Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Hieu, N.N.; Ghergherehchi, M.; Feghhi, S.A.H.; Gogova, D. | ||||
Title | Prediction of two-dimensional bismuth-based chalcogenides Bi₂X₃(X = S, Se, Te) monolayers with orthorhombic structure : a first-principles study | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of Physics D-Applied Physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 54 | Issue | 39 | Pages | 395103 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | First-principles calculation is a very powerful tool for discovery and design of novel two-dimensional materials with unique properties needed for the next generation technology. Motivated by the successful preparation of Bi2S3 nanosheets with orthorhombic structure in the last year, herein we gain a deep theoretical insight into the crystal structure, stability, electronic and optical properties of Bi2X3 (X = S, Se, Te) monolayers of orthorhombic phase employing the first-principles calculations. The Molecular dynamics study, phonon spectra, criteria for elastic stability, and cohesive energy results confirm the desired stability of the Bi2X3 monolayers. From S, to Se and Te, the work function value as well as stability of the systems decrease due to the decline in electronegativity. Mechanical properties study reveals that Bi2X3 monolayers have brittle nature. The electronic bandgap values of Bi2S3, Bi2Se3 and Bi2Te3 monolayers are predicted by the HSE06 functional to be 2.05, 1.20 and 1.16 eV, respectively. By assessing the optical properties, it has been found that Bi2X3 monolayers can absorb ultraviolet light. The high in-plane optical anisotropy offers an additional degree of freedom in the design of optical devices. The properties revealed in our survey will stimulate and inspire the search for new approaches of orthorhombic Bi2X3 (X = S, Se, Te) monolayers synthesis and properties manipulation for fabrication of novel nanoelectronic and optoelectronic devices. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000674464700001 | Publication Date | 2021-07-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.588 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 2.588 | |||
Call Number | UA @ admin @ c:irua:179863 | Serial | 7014 | ||
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Author | Shaw, P.; Kumar, N.; Mumtaz, S.; Lim, J.S.; Jang, J.H.; Kim, D.; Sahu, B.D.; Bogaerts, A.; Choi, E.H. | ||||
Title | Evaluation of non-thermal effect of microwave radiation and its mode of action in bacterial cell inactivation | Type | A1 Journal Article | ||
Year | 2021 | Publication | Scientific Reports | Abbreviated Journal | Sci Rep-Uk |
Volume | 11 | Issue | 1 | Pages | 14003 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | A growing body of literature has recognized the non-thermal effect of pulsed microwave radiation (PMR) on bacterial systems. However, its mode of action in deactivating bacteria has not yet been extensively investigated. Nevertheless, it is highly important to advance the applications of PMR from simple to complex biological systems. In this study, we first optimized the conditions of the PMR device and we assessed the results by simulations, using ANSYS HFSS (High Frequency Structure Simulator) and a 3D particle-in-cell code for the electron behavior, to provide a better overview of the bacterial cell exposure to microwave radiation. To determine the sensitivity of PMR,<italic>Escherichia coli</italic> and<italic>Staphylococcus aureus</italic>cultures were exposed to PMR (pulse duration: 60 ns, peak frequency: 3.5 GHz) with power density of 17 kW/cm<sup>2</sup>at the free space of sample position, which would induce electric field of 8.0 kV/cm inside the PBS solution of falcon tube in this experiment at 25 °C. At various discharges (D) of microwaves, the colony forming unit curves were analyzed. The highest ratios of viable count reductions were observed when the doses were increased from 20D to 80D, which resulted in an approximate 6 log reduction in <italic>E. coli</italic>and 4 log reduction in<italic>S. aureus.</italic>Moreover, scanning electron microscopy also revealed surface damage in both bacterial strains after PMR exposure. The bacterial inactivation was attributed to the deactivation of oxidation-regulating genes and DNA damage. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000674547300011 | Publication Date | 2021-07-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2045-2322 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.259 | Times cited | Open Access | OpenAccess | |
Notes | Department of Biotechnology, Ministry of Science and Technology, India, D.O.NO.BT/HRD/35/02/2006 ; National Research Foundation of Korea, NRF-2016K1A4A3914113 ; This research was supported by the National Research Foundation (NRF) of Korea, funded by the Korean government (MSIT) under the Grant Number NRF-2016K1A4A3914113, and in part by Kwangwoon University, Seoul, Korea, 2021. We also gratefully acknowledge the financial support obtained from Department of Biotechnology (DBT) Ramalingaswami Re-entry Fellowship, India, Grant Number D.O.NO.BT/HRD/35/02/2006. | Approved | Most recent IF: 4.259 | ||
Call Number | PLASMANT @ plasmant @c:irua:179844 | Serial | 6800 | ||
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Author | Berihun, D.; Van Passel, S. | ||||
Title | Climate variability and macroeconomic output in Ethiopia : the analysis of nexus and impact via asymmetric autoregressive distributive lag cointegration method | Type | A1 Journal article | ||
Year | 2021 | Publication | Environment, development and sustainability | Abbreviated Journal | |
Volume | Issue | Pages | |||
Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
Abstract | Ethiopia showed a rapid, yet, a none resilient economic growth much threatened by climate variability. In Ethiopia, the adverse effects of climate variability are stipulated among the significant factors constraining its economic development. There are relatively few studies about the adverse effects of climate variability on the Ethiopian macroeconomy. In this context, little is known about the exact effects of the ongoing climate variability on Ethiopian macroeconomic growth. This study intends to examine whether climate variability factors, for instance rainfall and temperature, have an effect on the macroeconomic output of Ethiopia. An asymmetric autoregressive distributive lag cointegration method is used to investigate time-series data for the years 1950-2014. Diagnostic tests show the relevance of the applied method and robustness of our results. The study finds climate variability affects Ethiopia's economic growth in the long run. Rainfall and temperature fluctuation induce significant negative impacts. A percentage annual temperature variability for instance decreases the Ethiopian annual gross domestic yield (GDP) up to 4.5 percent. In the short run, climate variability particularly rainfall and temperature changes also have a profound effect on Ethiopia's economic output. Within such confirmed climate change impacts, Ethiopia should carry out more on adapting and mitigating the impacts as it is presented on its climate-resilient economic growth policies and strategies. In spite of the policy contribution of the results, the study will motivate further research and will also serve as a benchmark for the coming Ethiopian studies. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000670722100001 | Publication Date | 2021-07-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1387-585x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | OpenAccess | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:179837 | Serial | 6917 | ||
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Author | Birhanu, T.; Deressa, S.B.; Azadi, H.; Viira, A.-H.; Van Passel, S.; Witlox, F. | ||||
Title | Determinants of commercial bank loan and advance disbursement : the case of private Ethiopian commercial banks | Type | A1 Journal article | ||
Year | 2021 | Publication | International journal of bank marketing | Abbreviated Journal | |
Volume | 39 | Issue | 7 | Pages | 1227-1247 |
Keywords | A1 Journal article; Economics; Engineering Management (ENM) | ||||
Abstract | Purpose This paper aimed to investigate the determinants of loans and advances from commercial banks in the case of Ethiopian private commercial banks. Design/methodology/approach The study randomly selected seven commercial banks to represent the population stratified on their asset, deposit and paid-up capital amounts. The study utilized an unbalanced panel data model as each bank started operation at a different period of time and considered the period 1995-2016 for secondary details. Findings The findings showed that the deposit size, credit risk, portfolio investment, average lending rate, real gross domestic product (GDP) and inflation rate had significant and optimistic effects on the lending and advancement of private commercial banks. On the contrary, liquidity ratio had significant and negative effects on private commercial bank loans and advances. Finally, the study forwarded a feasible recommendation for concerned organs to focus on deposit size, credit risk, portfolio investment, average lending rate, real GDP, inflation rate and liquidity ratio. The results of this study will help banking industry policymakers and planners understand how to minimize inflation and unemployment by improving development and sustainable economic growth. Originality/value The findings of this study can also affect the general attitudes of a society by increasing knowledge and improve the quality of life for the general public. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000670351700001 | Publication Date | 2021-07-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0265-2323 | 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:179858 | Serial | 6919 | ||
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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. | ||||
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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 | 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 | Peng, X.; Peng, H.; Zhao, K.; Zhang, Y.; Xia, F.; Lyu, J.; Van Tendeloo, G.; Sun, C.; Wu, J. | ||||
Title | Direct visualization of atomic-scale heterogeneous structure dynamics in MnO₂ nanowires | Type | A1 Journal article | ||
Year | 2021 | Publication | Acs Applied Materials & Interfaces | Abbreviated Journal | Acs Appl Mater Inter |
Volume | 13 | Issue | 28 | Pages | 33644-33651 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Manganese oxides are attracting great interest owing to their rich polymorphism and multiple valent states, which give rise to a wide range of applications in catalysis, capacitors, ion batteries, and so forth. Most of their functionalities are connected to transitions among the various polymorphisms and Mn valences. However, their atomic-scale dynamics is still a great challenge. Herein, we discovered a strong heterogeneity in the crystalline structure and defects, as well as in the Mn valence state. The transitions are studied by in situ transmission electron microscopy (TEM), and they involve a complex ordering of [MnO6] octahedra as the basic building tunnels. MnO2 nanowires synthesized using solution-based hydrothermal methods usually exhibit a large number of multiple polymorphism impurities with different tunnel sizes. Upon heating, MnO2 nanowires undergo a series of stoichiometric polymorphism changes, followed by oxygen release toward an oxygen-deficient spinel and rock-salt phase. The impurity polymorphism exhibits an abnormally high stability with interesting small-large-small tunnel size transition, which is attributed to a preferential stabilizer (K+) concentration, as well as a strong competition of kinetics and thermodynamics. Our results unveil the complicated intergrowth of polymorphism impurities in MnO2, which provide insights into the heterogeneous kinetics, thermodynamics, and transport properties of the tunnel-based building blocks. | ||||
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Language | Wos | 000677540900101 | Publication Date | 2021-07-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.504 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 7.504 | |||
Call Number | UA @ admin @ c:irua:180450 | Serial | 6861 | ||
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Author | Nematollahi, P.; Neyts, E.C. | ||||
Title | Linking bi-metal distribution patterns in porous carbon nitride fullerene to its catalytic activity toward gas adsorption | Type | A1 Journal article | ||
Year | 2021 | Publication | Nanomaterials | Abbreviated Journal | Nanomaterials-Basel |
Volume | 11 | Issue | 7 | Pages | 1794 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Immobilization of two single transition metal (TM) atoms on a substrate host opens numerous possibilities for catalyst design. If the substrate contains more than one vacancy site, the combination of TMs along with their distribution patterns becomes a design parameter potentially complementary to the substrate itself and the bi-metal composition. By means of DFT calculations, we modeled three dissimilar bi-metal atoms (Ti, Mn, and Cu) doped into the six porphyrin-like cavities of porous C24N24 fullerene, considering different bi-metal distribution patterns for each binary complex, viz. TixCuz@C24N24, TixMny@C24N24, and MnyCuz@C24N24 (with x, y, z = 0-6). We elucidate whether controlling the distribution of bi-metal atoms into the C24N24 cavities can alter their catalytic activity toward CO2, NO2, H-2, and N-2 gas capture. Interestingly, Ti2Mn4@C24N24 and Ti2Cu4@C24N24 complexes showed the highest activity and selectively toward gas capture. Our findings provide useful information for further design of novel few-atom carbon-nitride-based catalysts. | ||||
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Language | Wos | 000676140500001 | Publication Date | 2021-07-09 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2079-4991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.553 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 3.553 | |||
Call Number | UA @ admin @ c:irua:180372 | Serial | 8174 | ||
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Author | Albrecht, W.; Arslan Irmak, E.; Altantzis, T.; Pedrazo‐Tardajos, A.; Skorikov, A.; Deng, T.‐S.; van der Hoeven, J.E.S.; van Blaaderen, A.; Van Aert, S.; Bals, S. | ||||
Title | 3D Atomic‐Scale Dynamics of Laser‐Light‐Induced Restructuring of Nanoparticles Unraveled by Electron Tomography | Type | A1 Journal article | ||
Year | 2021 | Publication | Advanced Materials | Abbreviated Journal | Adv Mater |
Volume | Issue | Pages | 2100972 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract | Understanding light–matter interactions in nanomaterials is crucial for optoelectronic, photonic, and plasmonic applications. Specifically, metal nanoparticles (NPs) strongly interact with light and can undergo shape transformations, fragmentation and ablation upon (pulsed) laser excitation. Despite being vital for technological applications, experimental insight into the underlying atomistic processes is still lacking due to the complexity of such measurements. Herein, atomic resolution electron tomography is performed on the same mesoporous-silica-coated gold nanorod, before and after femtosecond laser irradiation, to assess the missing information. Combined with molecular dynamics (MD) simulations based on the experimentally determined 3D atomic-scale morphology, the complex atomistic rearrangements, causing shape deformations and defect generation, are unraveled. These rearrangements are simultaneously driven by surface diffusion, facet restructuring, and strain formation, and are influenced by subtleties in the atomic distribution at the surface. |
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Language | Wos | 000671662000001 | Publication Date | 2021-07-11 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0935-9648 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 19.791 | Times cited | 8 | Open Access | OpenAccess |
Notes | W.A. and E.A.I. contributed equally to this work. The authors acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128 – REALNANO and No. 770887 – PICOMETRICS), the European Union’s Seventh Framework Programme (ERC Advanced Grant No. 291667 – HierarSACol), and the European Commission (EUSMI). W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in the Horizon2020 program (Grant 797153, SOPMEN). T.-S.D. acknowledges financial support from the National Science Foundation of China (NSFC, Grant No. 61905056). The authors also acknowledge financial support by the Research Foundation Flanders (FWO Grant G.0267.18N).; sygmaSB | Approved | Most recent IF: 19.791 | ||
Call Number | EMAT @ emat @c:irua:179781 | Serial | 6805 | ||
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Author | Mychinko, M.; Skorikov, A.; Albrecht, W.; Sánchez‐Iglesias, A.; Zhuo, X.; Kumar, V.; Liz‐Marzán, L.M.; Bals, S. | ||||
Title | The Influence of Size, Shape, and Twin Boundaries on Heat‐Induced Alloying in Individual Au@Ag Core–Shell Nanoparticles | Type | A1 Journal article | ||
Year | 2021 | Publication | Small | Abbreviated Journal | Small |
Volume | Issue | Pages | 2102348 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Environmental conditions during real-world application of bimetallic core–shell nanoparticles (NPs) often include the use of elevated temperatures, which are known to cause elemental redistribution, in turn significantly altering the properties of these nanomaterials. Therefore, a thorough understanding of such processes is of great importance. The recently developed combination of fast electron tomography with in situ heating holders is a powerful approach to investigate heat-induced processes at the single NP level, with high spatial resolution in 3D. In combination with 3D finite-difference diffusion simulations, this method can be used to disclose the influence of various NP parameters on the diffusion dynamics in Au@Ag core–shell systems. A detailed study of the influence of heating on atomic diffusion and alloying for Au@Ag NPs with varying core morphology and crystallographic details is carried out. Whereas the core shape and aspect ratio of the NPs play a minor role, twin boundaries are found to have a strong influence on the elemental diffusion. | ||||
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Language | Wos | 000673326600001 | Publication Date | 2021-07-14 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1613-6810 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.643 | Times cited | 8 | Open Access | OpenAccess |
Notes | The funding for this project was provided by European Research Council (ERC Consolidator Grant 815128, REALNANO) and European Commission (grant 731019, EUSMI and grant 26019, ESTEEM). This work was performed under the Maria de Maeztu Units of Excellence Programme-Grant No. MDM-2017-0720, Ministry of Science and Innovation.; sygmaSB | Approved | Most recent IF: 8.643 | ||
Call Number | EMAT @ emat @c:irua:179856 | Serial | 6804 | ||
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Author | Wang, X.; Yao, X.; Schryvers, D.; Verlinden, B.; Wang, G.; Zhao, G.; Van Humbeeck, J.; Kustov, S. | ||||
Title | Anomalous stress-strain behavior of NiTi shape memory alloy close to the border of superelastic window | Type | A1 Journal article | ||
Year | 2021 | Publication | Scripta Materialia | Abbreviated Journal | Scripta Mater |
Volume | 204 | Issue | Pages | 114135 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | In this work, we report an anomalous phenomenon on superelastic cycling of NiTi shape memory alloys when deforming at the temperature close to the border of superelastic window. New unexpected effects are found-(i) critical stress for inducing martensite transformation during the second loading cycle is higher than that of the first cycle; ( ii ) the plateau stress of the second cycle decreases to the original level when the strain overcomes the limit of the first cycle; ( iii ) transition from good superelasticity in the first cycle to fully irreversible strain in the second. We propose that defects generated during the first superelastic cycle close to the border of superelastic window impede following stress-induced martensitic transformations, leading to the increase of critical stress beyond yield stress of the B2 matrix, and thus functional fatigue of NiTi alloys. (c) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. | ||||
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Language | Wos | 000690441400007 | Publication Date | 2021-07-14 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1359-6462 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.747 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 3.747 | |||
Call Number | UA @ admin @ c:irua:181658 | Serial | 6853 | ||
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Author | Sun, J.; Li, Y.; Karaaslan, Y.; Sevik, C.; Chen, Y. | ||||
Title | Misfit dislocation structure and thermal boundary conductance of GaN/AlN interfaces | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of Applied Physics | Abbreviated Journal | J Appl Phys |
Volume | 130 | Issue | 3 | Pages | 035301 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The structure and thermal boundary conductance of the wurtzite GaN/AlN (0001) interface are investigated using molecular dynamics simulation. Simulation results with three different empirical interatomic potentials have produced similar misfit dislocation networks and dislocation core structures. Specifically, the misfit dislocation network at the GaN/AlN interface is found to consist of pure edge dislocations with a Burgers vector of 1/3(1 (2) over bar 10) and the misfit dislocation core has an eight-atom ring structure. Although different interatomic potentials lead to different dislocation properties and thermal conductance values, all have demonstrated a significant effect of misfit dislocations on the thermal boundary conductance of the GaN/AlN (0001) interface. Published under an exclusive license by AIP Publishing. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000694725800001 | Publication Date | 2021-07-15 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979; 1089-7550 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.068 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 2.068 | |||
Call Number | UA @ admin @ c:irua:181623 | Serial | 8254 | ||
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Author | Leinders, G.; Baldinozzi, G.; Ritter, C.; Saniz, R.; Arts, I.; Lamoen, D.; Verwerft, M. | ||||
Title | Charge Localization and Magnetic Correlations in the Refined Structure of U3O7 | Type | A1 Journal article | ||
Year | 2021 | Publication | Inorganic Chemistry | Abbreviated Journal | Inorg Chem |
Volume | 60 | Issue | 14 | Pages | 10550-10564 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Atomic arrangements in the mixed-valence oxide U3O7 are refined from high-resolution neutron scattering data. The crystallographic model describes a long-range structural order in a U60O140 primitive cell (space group P42/n) containing distorted cuboctahedral oxygen clusters. By combining experimental data and electronic structure calculations accounting for spin–orbit interactions, we provide robust evidence of an interplay between charge localization and the magnetic moments carried by the uranium atoms. The calculations predict U3O7 to be a semiconducting solid with a band gap of close to 0.32 eV, and a more pronounced charge-transfer insulator behavior as compared to the well-known Mott insulator UO2. Most uranium ions (56 out of 60) occur in 9-fold and 10-fold coordinated environments, surrounding the oxygen clusters, and have a tetravalent (24 out of 60) or pentavalent (32 out of 60) state. The remaining uranium ions (4 out of 60) are not contiguous to the oxygen cuboctahedra and have a very compact, 8-fold coordinated environment with two short (2 × 1.93(3) Å) “oxo-type” bonds. The higher Hirshfeld charge and the diamagnetic character point to a hexavalent state for these four uranium ions. Hence, the valence state distribution corresponds to 24/60 × U(IV) + 32/60 U(V) + 4/60 U(VI). The tetravalent and pentavalent uranium ions are predicted to carry noncollinear magnetic moments (with amplitudes of 1.6 and 0.8 μB, respectively), resulting in canted ferromagnetic order in characteristic layers within the overall fluorite-related structure. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000675430900049 | Publication Date | 2021-07-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0020-1669 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.857 | Times cited | Open Access | OpenAccess | |
Notes | Financial support for this research was partly provided by the Energy Transition Fund of the Belgian FPS Economy (Project SF-CORMOD – Spent Fuel CORrosion MODeling). This work was performed in part using HPC resources from GENCI-IDRIS (Grants 2020-101450 and 2020-101601), and in part by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. GL thanks E. Suard and C. Schreinemachers for assistance during the neutron scattering experiments at the ILL. GB acknowledges V. Petříček for suggestions on using JANA2006. | Approved | Most recent IF: 4.857 | ||
Call Number | EMAT @ emat @c:irua:179907 | Serial | 6801 | ||
Permanent link to this record | |||||
Author | Akbali, B.; Yagmurcukardes, M.; Peeters, F.M.; Lin, H.-Y.; Lin, T.-Y.; Chen, W.-H.; Maher, S.; Chen, T.-Y.; Huang, C.-H. | ||||
Title | Determining the molecular orientation on the metal nanoparticle surface through surface-enhanced Raman spectroscopy and density functional theory simulations | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of Physical Chemistry C | Abbreviated Journal | J Phys Chem C |
Volume | 125 | Issue | 29 | Pages | 16289-16295 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | We report here the efficacy of surface-enhanced Raman spectroscopy (SERS) measurements as a probe for molecular orientation. 4-Aminobenzoic acid (PABA) on a surface consisting of silver (Ag) nanoparticles (NPs) is investigated. We find that the orientation of the PABA molecule on the SERS substrate is estimated based on the relative change in the magnitude of the C-H stretching bands on the SERS substrate, and it is found that the molecule assumes a horizontal orientation on the Ag-NP surface. The strong molecule-metal interaction is determined by an abnormal enhanced SERS band appearing at 980 cm(-1), and the peak is assigned to an out-of-plane amine vibrational mode, which is supported by our ab initio calculations. DFT-based Raman activity calculations corroborate the SERS results, revealing that (i) the PABA molecule attaches to the surface of Ag-NPs with its alpha dimers rather than single-molecule binding and (ii) the molecule preserves its alpha dimers in an aqueous environment. Our results demonstrate that SERS can be used to gain deeper insights into the molecular orientation on metal nanoparticle surfaces. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000680445800055 | Publication Date | 2021-07-19 | |
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 | 9 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 4.536 | |||
Call Number | UA @ admin @ c:irua:180455 | Serial | 6978 | ||
Permanent link to this record | |||||
Author | Osca, J.; Moors, K.; Sorée, B.; Serra, L. | ||||
Title | Fabry-Perot interferometry with gate-tunable 3D topological insulator nanowires | Type | A1 Journal article | ||
Year | 2021 | Publication | Nanotechnology | Abbreviated Journal | Nanotechnology |
Volume | 32 | Issue | 43 | Pages | 435002 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Three-dimensional topological insulator (3D TI) nanowires display remarkable magnetotransport properties that can be attributed to their spin-momentum-locked surface states such as quasiballistic transport and Aharonov-Bohm oscillations. Here, we focus on the transport properties of a 3D TI nanowire with a gated section that forms an electronic Fabry-Perot (FP) interferometer that can be tuned to act as a surface-state filter or energy barrier. By tuning the carrier density and length of the gated section of the wire, the interference pattern can be controlled and the nanowire can become fully transparent for certain topological surface-state input modes while completely filtering out others. We also consider the interplay of FP interference with an external magnetic field, with which Klein tunneling can be induced, and transverse asymmetry of the gated section, e.g. due to a top-gated structure, which displays an interesting analogy with Rashba nanowires. Due to its rich conductance phenomenology, we propose a 3D TI nanowire with gated section as an ideal setup for a detailed transport-based characterization of 3D TI nanowire surface states near the Dirac point, which could be useful towards realizing 3D TI nanowire-based topological superconductivity and Majorana bound states. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000682173800001 | Publication Date | 2021-07-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0957-4484 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.44 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 3.44 | |||
Call Number | UA @ admin @ c:irua:180487 | Serial | 6990 | ||
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Author | Nazar, N.D.; Vazifehshenas, T.; Ebrahimi, M.R.; Peeters, F.M. | ||||
Title | Strong anisotropic optical properties of 8-Pmmn borophene : a many-body perturbation study | Type | A1 Journal article | ||
Year | 2021 | Publication | Physical Chemistry Chemical Physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 23 | Issue | 30 | Pages | 16417-16422 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Using first-principles many-body perturbation theory, we investigate the optical properties of 8-Pmmn borophene at two levels of approximations; the GW method considering only the electron-electron interaction and the GW in combination with the Bethe-Salpeter equation including electron-hole coupling. The band structure exhibits anisotropic Dirac cones with semimetallic character. The optical absorption spectra are obtained for different light polarizations and we predict strong optical absorbance anisotropy. The absorption peaks undergo a global redshift when the electron-hole interaction is taken into account due to the formation of bound excitons which have an anisotropic excitonic wave function. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000677722700001 | Publication Date | 2021-07-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076; 1463-9084 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 4.123 | Times cited | 4 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 4.123 | |||
Call Number | UA @ admin @ c:irua:180385 | Serial | 7022 | ||
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Author | Kadu, A.; van Leeuwen, T.; Batenburg, K.J. | ||||
Title | CoShaRP : a convex program for single-shot tomographic shape sensing | Type | A1 Journal article | ||
Year | 2021 | Publication | Inverse Problems | Abbreviated Journal | Inverse Probl |
Volume | 37 | Issue | 10 | Pages | 105005 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | We introduce single-shot x-ray tomography that aims to estimate the target image from a single cone-beam projection measurement. This linear inverse problem is extremely under-determined since the measurements are far fewer than the number of unknowns. Moreover, it is more challenging than conventional tomography, where a sufficiently large number of projection angles forms the measurements, allowing for a simple inversion process. However, single-shot tomography becomes less severe if the target image is only composed of known shapes. This paper restricts analysis to target image function that can be decomposed into known compactly supported non-negative-valued functions termed shapes. Hence, the shape prior transforms a linear ill-posed image estimation problem to a non-linear problem of estimating the roto-translations of the shapes. We circumvent the non-linearity by using a dictionary of possible roto-translations of the shapes. We propose a convex program CoShaRP, to recover the dictionary coefficients successfully. CoShaRP relies on simplex-type constraints and can be solved quickly using a primal-dual algorithm. The numerical experiments show that CoShaRP recovers shape stably from moderately noisy measurements. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000691743700001 | Publication Date | 2021-07-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0266-5611 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 1.62 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 1.62 | |||
Call Number | UA @ admin @ c:irua:181617 | Serial | 6859 | ||
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Author | Dubinina, T.; Maklakov, S.; Petrusevich, E.; Borisova, N.E.; Trashin, S.A.; De Wael, K.; Tomilova, L.G. | ||||
Title | Photoactive layers for photovoltaics based on near-infrared absorbing aryl-substituted naphthalocyanine complexes : preparation and investigation of properties | Type | A1 Journal article | ||
Year | 2021 | Publication | New Journal Of Chemistry | Abbreviated Journal | New J Chem |
Volume | 45 | Issue | 32 | Pages | 14815-14821 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Photoactive layers based on aryl- and aryloxy-substituted naphthalocyanines and conductive polymer poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylene vinylene] (MEH-PPV) were prepared using the spin-coating technique and their conductivity was tested in dark and under illumination. For this purpose novel octa-2-naphthoxy-substituted naphthalocyanines were synthesized starting from 6,7-di(2-naphthoxy)naphthalene-2,3-dicarbonitrile. For those novel naphthalocyanine complexes, spectral and electrochemical data were measured and compared with corresponding ones for other aryl-substituted analogues. In comparison to the previously studied naphthalocyanines with alkyl- and phenyl- groups, the formal oxidation and reduction potentials were rather similar. All target complexes demonstrate intense near-infrared absorption at 760-790 nm, which is about 30 nm bathochromically shifted in thin films. The photo-resistive effect was found increasing from composites comprised of naphthoxy- to phenyl-substituted naphthalocyanines. This peculiarity was explained by using optical and atomic force microscopy in terms of different sizes of aggregates formed. The photo-response time for novel composited was approximately 3 s, which is about 20 times faster than measured previously for the films deposited via the drop-casting technique. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000680389800001 | Publication Date | 2021-07-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1144-0546 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 3.269 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 3.269 | |||
Call Number | UA @ admin @ c:irua:179884 | Serial | 8379 | ||
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Author | Barbiellini, B.; Kuriplach, J.; Saniz, R. | ||||
Title | Study of rechargeable batteries using advanced spectroscopic and computational techniques | Type | Editorial | ||
Year | 2021 | Publication | Condensed Matter | Abbreviated Journal | |
Volume | 6 | Issue | 3 | Pages | 26 |
Keywords | Editorial; Electron microscopy for materials research (EMAT) | ||||
Abstract | Improving the efficiency and longevity of energy storage systems based on Li- and Na-ion rechargeable batteries presents a major challenge. The main problems are essentially capacity loss and limited cyclability. These effects are due to a hierarchy of factors spanning various length and time scales, interconnected in a complex manner. As a consequence, and in spite of several decades of research, a proper understanding of the ageing process has remained somewhat elusive. In recent years, however, combinations of advanced spectroscopy techniques and first-principles simulations have been applied with success to tackle this problem. In this Special Issue, we are pleased to present a selection of articles that, by precisely applying these methods, unravel key aspects of the reduction-oxidation reaction and intercalation processes. Furthermore, the approaches presented provide improvements to standard diagnostic and characterisation techniques, enabling the detection of possible Li-ion flow bottlenecks causing the degradation of capacity and cyclability. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000699368400001 | Publication Date | 2021-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2410-3896 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | OpenAccess | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:181630 | Serial | 6890 | ||
Permanent link to this record | |||||
Author | Yagmurcukardes, M.; Mogulkoc, Y.; Akgenc, B.; Mogulkoc, A.; Peeters, F.M. | ||||
Title | Prediction of monoclinic single-layer Janus Ga₂ Te X (X = S and Se) : strong in-plane anisotropy | Type | A1 Journal article | ||
Year | 2021 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
Volume | 104 | Issue | 4 | Pages | 045425 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | By using density functional theory (DFT) based first-principles calculations, electronic, vibrational, piezo-electric, and optical properties of monoclinic Janus single-layer Ga2TeX (X = S or Se) are investigated. The dynamical, mechanical, and thermal stability of the proposed Janus single layers are verified by means of phonon bands, stiffness tensor, and quantum molecular dynamics simulations. The calculated vibrational spectrum reveals the either pure or coupled optical phonon branches arising from Ga-Te and Ga-X atoms. In addition to the in-plane anisotropy, single-layer Janus Ga2TeX exhibits additional out-of-plane asymmetry, which leads to important consequences for its electronic and optical properties. Electronic band dispersions indicate the direct band-gap semiconducting nature of the constructed Janus structures with energy band gaps falling into visible spectrum. Moreover, while orientation-dependent linear-elastic properties of Janus single layers indicate their strong anisotropy, the calculated in-plane stiffness values reveal the ultrasoft nature of the structures. In addition, predicted piezoelectric coefficients show that while there is a strong in-plane anisotropy between piezoelectric constants along armchair (AC) and zigzag (ZZ) directions, there exists a tiny polarization along the out-of-plane direction as a result of the formation of Janus structure. The optical response to electromagnetic radiation has been also analyzed through density functional theory by considering the independent-particle approximation. Finally, the optical spectra of Janus Ga2TeX structures is investigated and it showed a shift from the ultraviolet region to the visible region. The fact that the spectrum is between these regions will allow it to be used in solar energy and many nanoelectronics applications. The predicted monoclinic single-layer Janus Ga2TeX are relevant for promising applications in optoelectronics, optical dichroism, and anisotropic nanoelasticity. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000678811100007 | Publication Date | 2021-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 14 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 3.836 | |||
Call Number | UA @ admin @ c:irua:180404 | Serial | 7013 | ||
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Author | Reyntjens, P.D.; Tiwari, S.; van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. | ||||
Title | Ab-initio study of magnetically intercalated platinum diselenide : the impact of platinum vacancies | Type | A1 Journal article | ||
Year | 2021 | Publication | Materials | Abbreviated Journal | Materials |
Volume | 14 | Issue | 15 | Pages | 4167 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | We study the magnetic properties of platinum diselenide (PtSe2) intercalated with Ti, V, Cr, and Mn, using first-principle density functional theory (DFT) calculations and Monte Carlo (MC) simulations. First, we present the equilibrium position of intercalants in PtSe2 obtained from the DFT calculations. Next, we present the magnetic groundstates for each of the intercalants in PtSe2 along with their critical temperature. We show that Ti intercalants result in an in-plane AFM and out-of-plane FM groundstate, whereas Mn intercalant results in in-plane FM and out-of-plane AFM. V intercalants result in an FM groundstate both in the in-plane and the out-of-plane direction, whereas Cr results in an AFM groundstate both in the in-plane and the out-of-plane direction. We find a critical temperature of <0.01 K, 111 K, 133 K, and 68 K for Ti, V, Cr, and Mn intercalants at a 7.5% intercalation, respectively. In the presence of Pt vacancies, we obtain critical temperatures of 63 K, 32 K, 221 K, and 45 K for Ti, V, Cr, and Mn-intercalated PtSe2, respectively. We show that Pt vacancies can change the magnetic groundstate as well as the critical temperature of intercalated PtSe2, suggesting that the magnetic groundstate in intercalated PtSe2 can be controlled via defect engineering. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000682047700001 | Publication Date | 2021-07-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1996-1944 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.654 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 2.654 | |||
Call Number | UA @ admin @ c:irua:180540 | Serial | 6966 | ||
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Author | Gonzalez-Nelson, A.; Mula, S.; Simenas, M.; Balciunas, S.; Altenhof, A.R.; Vojvodin, C.S.; Canossa, S.; Banys, J.; Schurko, R.W.; Coudert, F.-X.; van der Veen, M.A. | ||||
Title | Emergence of coupled rotor dynamics in metal-organic frameworks via tuned steric interactions | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of The American Chemical Society | Abbreviated Journal | J Am Chem Soc |
Volume | 143 | Issue | 31 | Pages | 12053-12062 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The organic components in metal-organic frameworks (MOFs) are unique: they are embedded in a crystalline lattice, yet, as they are separated from each other by tunable free space, a large variety of dynamic behavior can emerge. These rotational dynamics of the organic linkers are especially important due to their influence over properties such as gas adsorption and kinetics of guest release. To fully exploit linker rotation, such as in the form of molecular machines, it is necessary to engineer correlated linker dynamics to achieve their cooperative functional motion. Here, we show that for MIL-53, a topology with closely spaced rotors, the phenylene functionalization allows researchers to tune the rotors' steric environment, shifting linker rotation from completely static to rapid motions at frequencies above 100 MHz. For steric interactions that start to inhibit independent rotor motion, we identify for the first time the emergence of coupled rotation modes in linker dynamics. These findings pave the way for function-specific engineering of gear-like cooperative motion in MOFs. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000684581100022 | Publication Date | 2021-07-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0002-7863 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 13.858 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 13.858 | |||
Call Number | UA @ admin @ c:irua:180504 | Serial | 6867 | ||
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Author | Esteban, D.A.; Vanrompay, H.; Skorikov, A.; Béché, A.; Verbeeck, J.; Freitag, B.; Bals, S. | ||||
Title | Fast electron low dose tomography for beam sensitive materials | Type | A1 Journal article | ||
Year | 2021 | Publication | Microscopy And Microanalysis | Abbreviated Journal | Microsc Microanal |
Volume | 27 | Issue | S1 | Pages | 2116-2118 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2021-07-30 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1431-9276 | ISBN | Additional Links | UA library record | |
Impact Factor | 1.891 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 1.891 | |||
Call Number | EMAT @ emat @c:irua:183278 | Serial | 6813 | ||
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Author | Neelisetty, K.K.; Kumar C.N., S.; Kashiwar, A.; Scherer, T.; Chakravadhanula, V.S.K.; Kuebel, C. | ||||
Title | Novel thin film lift-off process for in situ TEM tensile characterization | Type | A1 Journal article | ||
Year | 2021 | Publication | Microscopy And Microanalysis | Abbreviated Journal | Microsc Microanal |
Volume | 27 | Issue | S1 | Pages | 216-217 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2021-07-30 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1431-9276 | ISBN | Additional Links | UA library record | |
Impact Factor | 1.891 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 1.891 | |||
Call Number | UA @ admin @ c:irua:183617 | Serial | 6873 | ||
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Author | Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Karbasizadeh, S.; Ghergherehchi, M.; Sarsari, I.A.; Ziabari, A.A. | ||||
Title | Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure : a first-principles study | Type | A1 Journal article | ||
Year | 2021 | Publication | Physical Chemistry Chemical Physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 23 | Issue | 34 | Pages | 18752-18759 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | In this work, motivated by the fabrication of an AlSb monolayer, we have focused on the electronic, mechanical and optical properties of AlSb and InSb monolayers with double-layer honeycomb structures, employing the density functional theory approach. The phonon band structure and cohesive energy confirm the stability of the XSb (X = Al and In) monolayers. The mechanical properties reveal that the XSb monolayers have a brittle nature. Using the GGA + SOC (HSE + SOC) functionals, the bandgap of the AlSb monolayer is predicted to be direct, while InSb has a metallic character using both functionals. We find that XSb (X = Al, In) two-dimensional bodies can absorb ultraviolet light. The present findings suggest several applications of AlSb and InSb monolayers in novel optical and electronic usages. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000686236800001 | Publication Date | 2021-08-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076; 1463-9084 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 4.123 | |||
Call Number | UA @ admin @ c:irua:181712 | Serial | 7005 | ||
Permanent link to this record | |||||
Author | Borkowski, R.; Straub, M.; Ou, Y.; Lefevre, Y.; Jelić, Ž.L.; Lanneer, W.; Kaneda, N.; Mahadevan, A.; Hueckstaedt, V.; van Veen, D.; Houtsma, V.; Coomans, W.; Bonk, R.; Maes, J. | ||||
Title | FLCS-PON : a 100 Gbit/s flexible passive optical network: concepts and field trial | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of Lightwave Technology | Abbreviated Journal | J Lightwave Technol |
Volume | 39 | Issue | 16 | Pages | 5314-5324 |
Keywords | A1 Journal article; Mass communications; Condensed Matter Theory (CMT) | ||||
Abstract | We demonstrate concepts and results of a field trial for a flexible-rate passive optical network (FLCS-PON), which delivers bitrates up to 100 Gbit/s and allows for adaptations in the transmission method to match the users' channel conditions and optimize throughput. FLCS-PON builds on top of the hardware ecosystem that will be developed for ITU-T 50 Gbit/s PON and employs three new ingredients: optical network unit (ONU) grouping, flexible modulation format, and flexible forward error correction (FEC) code rate. Together, these techniques take advantage of the optical distribution network (ODN) statistics to realize a system capable of more than twofold throughput increase compared to the upcoming 50 Gbit/s PON, but still able to support a full array of deployed fiber edge cases, which are problematic for legacy PONs. In this paper we explain the concepts behind enabling techniques of FLCS-PON. We then report on a field trial over a deployed fiber infrastructure, using a system consisting of one FLCS-PON OLT and two ONUs. We report both pre- and post-forward-error-correction (post-FEC) performance of our system, demonstrating achievable net bitrate over an operator's fiber infrastructure. We realize a downlink transmission at double the speed of ITU-T 50 Gbit/s PON for ONUs exhibiting lower optical path loss (OPL), while simultaneously continue to support ONUs at high OPLs. We additionally realize a record-high 31.5 dB loss budget for 100 Gbit/s transmission using a direct-detection ONU with an optical preamplifier. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000692209800017 | Publication Date | 2021-08-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0733-8724 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.671 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 3.671 | |||
Call Number | UA @ admin @ c:irua:181586 | Serial | 6995 | ||
Permanent link to this record | |||||
Author | Weiβ, R.; Gritsch, S.; Brader, G.; Nikolic, B.; Spiller, M.; Santolin, J.; Weber, H.K.; Schwaiger, N.; Pluchon, S.; Dietel, K.; Guebitz, G.; Nyanhongo, G. | ||||
Title | A biobased, bioactive, low CO₂ impact coating for soil improvers | Type | A1 Journal article | ||
Year | 2021 | Publication | Green Chemistry | Abbreviated Journal | Green Chem |
Volume | 23 | Issue | 17 | Pages | 6501-6514 |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Lignosulfonate-based bioactive coatings as soil improvers for lawns were developed using laccase as a biocatalyst. Incorporation of glycerol, xylitol and sorbitol as plasticizers considerably reduced the brittleness of the synthesized coatings of marine carbonate granules while thermal enzyme inactivation at 100 degrees C enabled the production of stable coatings. Heat inactivation produced stable coatings with a molecular weight of 2000 kDa and a viscosity of 4.5 x 10(-3) Pas. The desired plasticity for the spray coating of soil improver granules was achieved by the addition of 2.7% of xylitol. Agriculture beneficial microorganisms (four different Bacillus species) were integrated into the coatings. The stable coatings protected the marine calcium carbonate granules, maintained the viability of the microorganisms and showed no toxic effects on the germination and growth of model plants including corn, wheat, salad, and tomato despite a slight delay in germination. Moreover, the coatings reduced the dust formation of soil improvers by 70%. CO2 emission analysis showed potential for the reduction of up to 3.4 kg CO2-eq. kg(-1) product, making it a viable alternative to fossil-based coatings. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000683056500001 | Publication Date | 2021-08-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9262; 1463-9270 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.125 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 9.125 | |||
Call Number | UA @ admin @ c:irua:180511 | Serial | 7558 | ||
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Author | Azadi, H.; Moghaddam, S.M.; Burkart, S.; Mahmoudi, H.; Van Passel, S.; Kurban, A.; Lopez-Carr, D. | ||||
Title | Rethinking resilient agriculture : from Climate-Smart Agriculture to Vulnerable-Smart Agriculture | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of Cleaner Production | Abbreviated Journal | J Clean Prod |
Volume | 319 | Issue | Pages | 128602 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
Abstract | Climate-Smart Agriculture (CSA) is seeking to overcome the food security problem and develop rural livelihoods while minimizing negative impacts on the environment. However, when such synergies exist, the situation of small-scale farmers is often overlooked, and they are unable to implement new practices and technologies. Therefore, the main aim of this study is to improve CSA by adding the neglected but very important element “small-scale farmer”, and introduce Vulnerable-Smart Agriculture (VSA) as a complete version of CSA. VSA indicates, based on the results of this study, that none of the decisions made by policymakers can be realistic and functional as long as the voice of the farmers influenced by their decisions is not heard. Therefore, to identify different levels for possible interventions and develop VSA monitoring indicators, a new conceptual framework needs to be developed. This study proposed such a framework consisting of five elements: prediction of critical incidents by farmers, measuring the consequences of incidents, identifying farmers' coping strategies, assessing farmers' livelihood capital when facing an incident, and adapting to climate incidents. The primary focus of this study is on farmers' learning and operational preparation to deal with tension and disasters at farm level. Understanding the implications of threats from climate change and the recognizing of coping mechanisms will contribute to an increase in understanding sustainable management. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000728681500005 | Publication Date | 2021-08-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0959-6526 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.715 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 5.715 | |||
Call Number | UA @ admin @ c:irua:184869 | Serial | 6942 | ||
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Author | Al-Emam, E.; Beltran, V.; De Meyer, S.; Nuyts, G.; Wetemans, V.; De Wael, K.; Caen, J.; Janssens, K. | ||||
Title | Removal of a past varnish treatment from a 19th-century Belgian wall painting by means of a solvent-loaded double network hydrogel | Type | A1 Journal article | ||
Year | 2021 | Publication | Polymers | Abbreviated Journal | Polymers-Basel |
Volume | 13 | Issue | 16 | Pages | 2651-20 |
Keywords | A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp X-ray Imaging and Spectroscopy (AXIS) | ||||
Abstract | Polymeric materials have been used by painting conservator-restorers as consolidants and/or varnishes for wall paintings. The application of these materials is carried out when confronting loose paint layers or as a protective coating. However, these materials deteriorate and cause physiochemical alterations to the treated surface. In the past, the monumental neo-gothic wall painting 'The Last Judgment' in the chapel of Sint-Jan Berchmanscollege in Antwerp, Belgium was treated with a synthetic polymeric material. This varnish deteriorated significantly and turned brown, obscuring the paint layers. Given also that the varnish was applied to some parts of the wall painting and did not cover the entire surface, it was necessary to remove it in order to restore the original appearance of the wall painting. Previous attempts carried out by conservator-restorers made use of traditional cleaning methods, which led to damage of the fragile paint layers. Therefore, gel cleaning was proposed as a less invasive and more controllable method for gently softening and removing the varnish. The work started by identifying the paint stratigraphy and the deteriorated varnish via optical microscopy (OM), scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDX), X-ray diffraction (XRD), and Fourier-transform infrared (FTIR) spectroscopy. A polyvinyl alcohol-borax/agarose (PVA-B/AG) hydrogel loaded with a number of solvents/solvent mixtures was employed in a series of tests to select the most suitable hydrogel composite. By means of the hydrogel composite loaded with 10% propylene carbonate, it was possible to safely remove the brown varnish layer. The results were verified by visual examinations (under visible light 'VIS' and ultraviolet light 'UV') as well as OM and FTIR spectroscopy. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000690248000001 | Publication Date | 2021-08-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2073-4360 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.364 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 3.364 | |||
Call Number | UA @ admin @ c:irua:181567 | Serial | 8470 | ||
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