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Author | Sfez, S.; De Meester, S.; Vlaeminck, S.E.; Dewulf, J. | ||||
Title | Improving the resource footprint evaluation of products recovered from wastewater : a discussion on appropriate allocation in the context of circular economy | Type | A1 Journal article | ||
Year | 2019 | Publication | Resources, conservation and recycling | Abbreviated Journal | |
Volume | 148 | Issue | Pages | 132-144 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract ![]() |
Shifting from a linear to a circular economy has consequences on how the sustainability of products is assessed. This is the case for products recovered from resources such as sewage sludge. The “zero-burden” assumption is commonly used in Life Cycle Assessment and considers that waste streams are burden-free, which becomes debatable when comparing waste-based with virgin material-based products in the context of the growing circular economy. If waste streams are considered as resources rather than waste, upstream burdens should be partly allocated to all products to allow a fair comparison with their virgin material-based equivalents. In this paper, five allocation approaches are applied to allocate the resource use of upstream processes (consumer goods production) to products recovered from the processing of sewage sludge in the Netherlands, which produces biogas, (phosphorus-based) chemicals and building materials. Except for the approach which allocates 100% of the impact from resource recovery processes to the preceding consumer goods, the allocation approaches show a resource use 27 to 80% higher than with the “zero-burden” assumption. In this particular case, using these allocation approaches is likely to find little support from recyclers. The producers of household products, recyclers and policy makers should find a consensus to consider the shift from a linear to a circular economy in sustainability assessment studies while avoiding discouraging the implementation of recovery technologies. This paper suggests starting the discussion with the approach which allocates the impacts from upstream processes degressively to the downstream products as it best translates the industrial ecology principles. | ||||
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Language | Wos | 000472242800012 | Publication Date | 2019-05-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0921-3449 | 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:159887 | Serial | 8072 | ||
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Author | Dhayalan, S.K.; Nuytten, T.; Pourtois, G.; Simoen, E.; Pezzoli, F.; Cinquanta, E.; Bonera, E.; Loo, R.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Vandervorst, W. | ||||
Title | Insights into the C Distribution in Si:C/Si:C:P and the Annealing Behavior of Si:C Layers | Type | A1 Journal article | ||
Year | 2019 | Publication | ECS journal of solid state science and technology | Abbreviated Journal | Ecs J Solid State Sc |
Volume | 8 | Issue | 4 | Pages | P209-P216 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Si:C and Si:C:P alloys are potential candidates for source-drain stressor applications in n-type Fin Field Effect Transistors (FinFETs). Increasing the C content to achieve high strain results in the arrangement of C atoms as third nearest neighbors (3nn) in the Si: C lattice. During thermal annealing, the presence of C atoms as 3nn may promote clustering at the interstitial sites, causing loss of stress. The concentration of C atoms as 3nn is reduced by the incorporation of a small amount of Ge atoms during the growth, whereas in-situ P doping does not influence this 3nn distribution [J Solid State Sci. Technol vol 6, p 755, 2017]. Small amounts of Ge are provided during low temperature selective epitaxial growth scheme, which are based on cyclic deposition and etching (CDE). In this work, we aim to provide physical insights into the aforementioned phenomena, to understand the behavior of 3nn C atoms and the types of defects that are formed in the annealed Si: C films. Using ab-initio simulations, the Ge-C interaction in the Si matrix is investigated and this insight is used to explain how the Ge incorporation leads to a reduced 3nn distribution of the C atoms. The interaction between C and P in the Si: C: P films is also investigated to explain why the P incorporation has not led to a reduction in the 3nn distribution. We then report on the Raman characterization of Si: C layers subjected to post epi annealing. As the penetration depth of the laser is dependent on the wavelength, Raman measurements at two different wavelengths enable us to probe the depth distribution of 3nn C atoms after applying different annealing conditions. We observed a homogeneous loss in 3nn C throughout the layer. Whereas in the kinematic modeling of high resolution X-ray diffraction spectra, a gradient in the substitutional C loss was observed close to the epitaxial layer/substrate interface. This gradient can be due to the out diffusion of C atoms into the Si substrate or to the formation of interstitial C clusters, which cannot be distinguished in HR-XRD. Deep Level Transient Spectroscopy indicated that the prominent out-diffusing species was interstitial CO complex while the interstitial C defects were also prevalent in the epi layer. (c) 2019 The Electrochemical Society. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000465069200001 | Publication Date | 2019-04-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2162-8769; 2162-8777 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 1.787 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 1.787 | |||
Call Number | UA @ admin @ c:irua:160399 | Serial | 5275 | ||
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Author | Choudhary, K.; Bercx, M.; Jiang, J.; Pachter, R.; Lamoen, D.; Tavazza, F. | ||||
Title | Accelerated Discovery of Efficient Solar Cell Materials Using Quantum and Machine-Learning Methods | Type | A1 Journal article | ||
Year | 2019 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 31 | Issue | 15 | Pages | 5900-5908 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Solar energy plays an important role in solving serious environmental problems and meeting the high energy demand. However, the lack of suitable materials hinders further progress of this technology. Here, we present the largest inorganic solar cell material search till date using density functional theory (DFT) and machine-learning approaches. We calculated the spectroscopic limited maximum efficiency (SLME) using the Tran−Blaha-modified Becke−Johnson potential for 5097 nonmetallic materials and identified 1997 candidates with an SLME higher than 10%, including 934 candidates with a suitable convex-hull stability and an effective carrier mass. Screening for two-dimensional-layered cases, we found 58 potential materials and performed G0W0 calculations on a subset to estimate the prediction uncertainty. As the above DFT methods are still computationally expensive, we developed a high accuracy machine-learning model to prescreen efficient materials and applied it to over a million materials. Our results provide a general framework and universal strategy for the design of high-efficiency solar cell materials. The data and tools are publicly distributed at: https://www.ctcms.nist.gov/~knc6/JVASP.html, https://www. ctcms.nist.gov/jarvisml/, https://jarvis.nist.gov/, and https://github.com/usnistgov/jarvis. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000480826900060 | Publication Date | 2019-08-13 | |
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 | 6 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 9.466 | ||
Call Number | EMAT @ emat @c:irua:161814 | Serial | 5291 | ||
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Author | Scuracchio, P.; Michel, K.H.; Peeters, F.M. | ||||
Title | Phonon hydrodynamics, thermal conductivity, and second sound in two-dimensional crystals | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 99 | Issue | 14 | Pages | 144303 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Starting from our previous work in which we obtained a system of coupled integrodifferential equations for acoustic sound waves and phonon density fluctuations in two-dimensional (2D) crystals, we derive here the corresponding hydrodynamic equations, and we study their consequences as a function of temperature and frequency. These phenomena encompass propagation and damping of acoustic sound waves, diffusive heat conduction, second sound, and Poiseuille heat flow, all of which are characterized by specific transport coefficients. We calculate these coefficients by means of correlation functions without using the concept of relaxation time. Numerical calculations are performed as well in order to show the temperature dependence of the transport coefficients and of the thermal conductivity. As a consequence of thermal tension, mechanical and thermal phenomena are coupled. We calculate the dynamic susceptibilities for displacement and temperature fluctuations and study their resonances. Due to the thermomechanical coupling, the thermal resonances such as the Landau-Placzek peak and the second-sound doublet appear in the displacement susceptibility, and conversely the acoustic sound wave doublet appears in the temperature susceptibility, Our analytical results not only apply to graphene, but they are also valid for arbitrary 2D crystals with hexagonal symmetry, such as 2D hexagonal boron nitride, 2H-transition-metal dichalcogenides, and oxides. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000464717300006 | Publication Date | 2019-04-10 | |
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 | 16 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl). ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:159346 | Serial | 5225 | ||
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Author | Guzzinati, G.; Ghielens, W.; Mahr, C.; Béché, A.; Rosenauer, A.; Calders, T.; Verbeeck, J. | ||||
Title | Electron Bessel beam diffraction for precise and accurate nanoscale strain mapping | Type | A1 Journal article | ||
Year | 2019 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
Volume | 114 | Issue | 24 | Pages | 243501 |
Keywords | A1 Journal article; ADReM Data Lab (ADReM); Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Strain has a strong effect on the properties of materials and the performance of electronic devices. Their ever shrinking size translates into a constant demand for accurate and precise measurement methods with a very high spatial resolution. In this regard, transmission electron microscopes are key instruments thanks to their ability to map strain with a subnanometer resolution. Here, we present a method to measure strain at the nanometer scale based on the diffraction of electron Bessel beams. We demonstrate that our method offers a strain sensitivity better than 2.5 × 10−4 and an accuracy of 1.5 × 10−3, competing with, or outperforming, the best existing methods with a simple and easy to use experimental setup. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000472599100019 | Publication Date | 2019-06-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 17 | Open Access | OpenAccess |
Notes | Deutsche Forschungsgemeinschaft, RO2057/12-2 ; Fonds Wetenschappelijk Onderzoek, G.0934.17N ; | Approved | Most recent IF: 3.411 | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:160119 | Serial | 5181 | ||
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Author | Jishkariani, D.; Elbert, K.C.; Wu, Y.; Lee, J.D.; Hermes, M.; Wang, D.; van Blaaderen, A.; Murray, C.B. | ||||
Title | Nanocrystal Core Size and Shape Substitutional Doping and Underlying Crystalline Order in Nanocrystal Superlattices | Type | A1 Journal article | ||
Year | 2019 | Publication | ACS nano | Abbreviated Journal | Acs Nano |
Volume | 13 | Issue | 5 | Pages | 5712-5719 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Substitutional doping is a potentially powerful technique to control the properties of nanocrystal (NC) superlattices (SLs). However, not every NC can be substituted into any lattice, as the NCs have to be close in size and shape, limiting the application of substitutional doping. Here we show that this limitation can be overcome by employing ligands of various size. We show that small NCs with long ligands can be substituted into SLs of big NCs with short ligands. Furthermore, we show that shape differences can also be overcome and that cubes can substitute spheres when both are coated with long ligands. Finally, we use the NC effective ligand size, softness, and effective overall size ratio to explain observed doping behaviors. | ||||
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Language | Wos | 000469886300078 | Publication Date | 2019-05-03 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1936-0851 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 13.942 | Times cited | 6 | Open Access | Not_Open_Access |
Notes | ; This work was supported by the University of Pennsylvania's NSF MRSEC under award no. DMR-112090 and the CNRS-UPENN-SOLVAY through the Complex Assemblies of Soft Matter Laboratory (COMPASS). K.C.E. acknowledges support from the NSF Graduate Research Fellowship Program under grant no. DGE-1321851. C.B.M. acknowledges the Richard Perry University Professorship at the University of Pennsylvania. D.W. and A.v.B. acknowledge partial funding from the European Research Council under the European Union's Seventh Framework Programme (FP -2007-2013)/ERC Advanced Grant Agreement 291667 HierarSACol. M.H. was supported by The Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO Gravitation programme funded by the Ministry of Education, Culture and Science of the government of The Netherlands. The authors thank EM square in Utrecht University for the access to the microscopes. ; | Approved | Most recent IF: 13.942 | ||
Call Number | UA @ admin @ c:irua:160344 | Serial | 5256 | ||
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Author | Yu, S.; Sankaran, K.J.; Korneychuk, S.; Verbeeck, J.; Haenen, K.; Jiang, X.; Yang, N. | ||||
Title | High-performance supercabatteries using graphite@diamond nano-needle capacitor electrodes and redox electrolytes | Type | A1 Journal article | ||
Year | 2019 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
Volume | 11 | Issue | 38 | Pages | 17939-17946 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Supercabatteries have the characteristics of supercapacitors and batteries, namely high power and energy densities as well as long cycle life. To construct them, capacitor electrodes with wide potential windows and/or redox electrolytes are required. Herein, graphite@diamond nano-needles and an aqueous solution of Fe(CN)(6)(3-/4-) are utilized as the capacitor electrode and the electrolyte, respectively. This diamond capacitor electrode has a nitrogen-doped diamond core and a nano-graphitic shell. In 0.05 M Fe(CN)(6)(3-/4-) + 1.0 M Na2SO4 aqueous solution, the fabricated supercabattery has a capacitance of 66.65 mF cm(-2) at a scan rate of 10 mV s(-1). It is stable over 10 000 charge/discharge cycles. The symmetric supercabattery device assembled using a two-electrode system possesses energy and power densities of 10.40 W h kg(-1) and 6.96 kW kg(-1), respectively. These values are comparable to those of other energy storage devices. Therefore, diamond supercabatteries are promising for many industrial applications. | ||||
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Language | Wos | 000489646900036 | Publication Date | 2019-09-06 | |
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 | 26 | Open Access | |
Notes | ; S. Yu and K. J. Sankaran contributed equally to this work. N. Yang acknowledges funding from the German Science Foundation under the project of YA344/1-1. J. Verbeeck and S. Korneychuk acknowledge the funding from the GOA project “Solarpaint” of the University of Antwerp. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. K. J. Sankaran and K. Haenen like to acknowledge the financial support of the Methusalem “NANO” network. S. Yu likes to acknowledge the financial support from fundamental research funds for the central universities (Grant No. SWU019001). ; | Approved | Most recent IF: 7.367 | ||
Call Number | UA @ admin @ c:irua:163723 | Serial | 5388 | ||
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Author | Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D. | ||||
Title | Multicomponent screening and superfluidity in gapped electron-hole double bilayer graphene with realistic bands | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 99 | Issue | 14 | Pages | 144517 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Superfluidity has recently been reported in double electron-hole bilayer graphene. The multiband nature of the bilayers is important because of the very small band gaps between conduction and valence bands. The long-range nature of the superfluid pairing interaction means that screening must be fully taken into account. We have carried out a systematic mean-field investigation that includes (i) contributions to screening from both intraband and interband excitations, (ii) the low-energy band structure of bilayer graphene with its small band gap and flattened Mexican-hat-like low-energy bands, (iii) the large density of states at the bottom of the bands, (iv) electron-hole pairing in the multibands, and (v) electron-hole pair transfers between the conduction and valence band condensates. We find that the superfluidity strongly modifies the intraband contributions to the screening, but that the interband contributions are unaffected. Unexpectedly, a net effect of the screening is to suppress Josephson-like pair transfers and to confine the superfluid pairing entirely to the conduction-band condensate even for very small band gaps, making the system behave similarly to a one-band superfluid. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000465160000004 | Publication Date | 2019-04-18 | |
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 | 15 | Open Access | |
Notes | ; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl) and the Methusalem Foundation. We thank Mohammad Zarenia and Alfredo VargasParedes for useful discussions. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:159332 | Serial | 5221 | ||
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Author | Barreca, D.; Gri, F.; Gasparotto, A.; Carraro, G.; Bigiani, L.; Altantzis, T.; Žener, B.; Lavrenčič Štangar, U.; Alessi, B.; Padmanaban, D.B.; Mariotti, D.; Maccato, C. | ||||
Title | Multi-functional MnO2nanomaterials for photo-activated applications by a plasma-assisted fabrication route | Type | A1 Journal article | ||
Year | 2019 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
Volume | 11 | Issue | 1 | Pages | 98-108 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Supported MnO2-based nanomaterials were fabricated on fluorine-doped tin oxide substrates by plasma enhanced-chemical vapor deposition (PE-CVD) between 100 °C and 400 °C, starting from a fluorinated Mn(II) diamine diketonate precursor. Growth experiments yielded -MnO2 nanosystems with hierarchical morphology tuneable from dendritic structures to quasi-1D nanosystems as a function of growth temperature, whose variation enabled also a concomitant tailoring of the system fluorine content, and of the optical absorption and band gap. Preliminary photocatalytic tests were aimed at the investigation of photoinduced hydrophilic (PH) and solid phase photocatalytic (PC) performances of the present nanomaterials, as well as at the photodegradation of Plasmocorinth B azo-dye aqueous solutions. The obtained findings highlighted an attractive system photoactivity even under visible light, finely tailored by fluorine content, morphological organization and optical properties of the prepared nanostructures. The results indicate that the synthesized MnO2 nanosystems have potential applications as advanced smart materials for anti-fogging/self-cleaning end uses and water purification. | ||||
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Language | Wos | 000454327500037 | Publication Date | 2018-10-10 | |
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 | 7 | Open Access | OpenAccess |
Notes | Padova University DOR 2016–2017, P-DiSC #03BIRD2016-UNIPD projects, HERALD Cost Action MP1402 – 37831 and ACTION post-doc fellowship are acknowledged for financial support. T.A. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO). Thanks are also due to Prof. Sara Bals (EMAT, University of Antwerp, Belgium), Prof. Romana Cerc Korošec and to Dr. Lev Matoh (University of Ljubljana, Slovenia), and to Prof. Elza Bontempi (Brescia University, Italy). The work was also supported by EPSRC (award EP/R008841/1, EP/M024938/1). | Approved | Most recent IF: 7.367 | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:156388 | Serial | 5148 | ||
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Author | Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C. | ||||
Title | CO2 activation on TiO2-supported Cu5 and Ni5 nanoclusters : effect of plasma-induced surface charging | Type | A1 Journal article | ||
Year | 2019 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 123 | Issue | 11 | Pages | 6516-6525 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Surface charging is an often overlooked factor in many plasma-surface interactions and in particular in plasma catalysis. In this study, we investigate the effect of excess electrons induced by a plasma on the adsorption properties of CO2 on titania-supported Cu-5 and Ni-5 clusters using spin-polarized and dispersion-corrected density functional theory calculations. The effect of excess electrons on the adsorption of Ni and Cu pentamers as well as on CO2 adsorption on a pristine anatase TiO2(101) slab is studied. Our results indicate that adding plasma-induced excess electrons to the system leads to further stabilization of the bent CO2 structure. Also, dissociation of CO2 on charged clusters is energetically more favorable than on neutral clusters. We hypothesize that surface charge is a plausible cause for the synergistic effects sometimes observed in plasma catalysis. | ||||
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Language | Wos | 000462260700024 | Publication Date | 2019-02-21 | |
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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 | 4 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 4.536 | |||
Call Number | UA @ admin @ c:irua:159422 | Serial | 5281 | ||
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Author | Grunert, O.; Robles-Aguilar, A.A.; Hernandez-Sanabria, E.; Schrey, S.D.; Reheul, D.; Van Labeke, M.-C.; Vlaeminck, S.E.; Vanderkerckhove, T.G.L.; Mysara, M.; Monsieurs, P.; Temperton, V.M.; Boon, N.; Jablonowski, N.D. | ||||
Title | Tomato plants rather than fertilizers drive microbial community structure in horticultural growing media | Type | A1 Journal article | ||
Year | 2019 | Publication | Scientific reports | Abbreviated Journal | |
Volume | 9 | Issue | Pages | 9561 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract ![]() |
Synthetic fertilizer production is associated with a high environmental footprint, as compounds typically dissolve rapidly leaching emissions to the atmosphere or surface waters. We tested two recovered nutrients with slower release patterns, as promising alternatives for synthetic fertilizers: struvite and a commercially available organic fertilizer. Using these fertilizers as nitrogen source, we conducted a rhizotron experiment to test their effect on plant performance and nutrient recovery in juvenile tomato plants. Plant performance was significantly improved when organic fertilizer was provided, promoting higher shoot biomass. Since the microbial community influences plant nitrogen availability, we characterized the root-associated microbial community structure and functionality. Analyses revealed distinct root microbial community structure when different fertilizers were supplied. However, plant presence significantly increased the similarity of the microbial community over time, regardless of fertilization. Additionally, the presence of the plant significantly reduced the potential ammonia oxidation rates, implying a possible role of the rhizosheath microbiome or nitrification inhibition by the plant. Our results indicate that nitrifying community members are impacted by the type of fertilizer used, while tomato plants influenced the potential ammonia-oxidizing activity of nitrogen-related rhizospheric microbial communities. These novel insights on interactions between recovered fertilizers, plant and associated microbes can contribute to develop sustainable crop production systems. | ||||
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Language | Wos | 000473418000003 | Publication Date | 2019-07-02 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2045-2322 | 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:160582 | Serial | 8674 | ||
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Author | Su, Y.; Prestat, E.; Hu, C.; Puthiyapura, V.K.; Neek-Amal, M.; Xiao, H.; Huang, K.; Kravets, V.G.; Haigh, S.J.; Hardacre, C.; Peeters, F.M.; Nair, R.R. | ||||
Title | Self-limiting growth of two-dimensional palladium between graphene oxide layers | Type | A1 Journal article | ||
Year | 2019 | Publication | Nano letters | Abbreviated Journal | Nano Lett |
Volume | 19 | Issue | 7 | Pages | 4678-4683 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
The ability of different materials to display self-limiting growth has recently attracted an enormous amount of attention because of the importance of nanoscale materials in applications for catalysis, energy conversion, (opto)-electronics, and so forth. Here, we show that the electrochemical deposition of palladium (Pd) between graphene oxide (GO) sheets result in the self-limiting growth of 5-nm-thick Pd nanosheets. The self-limiting growth is found to be a consequence of the strong interaction of Pd with the confining GO sheets, which results in the bulk growth of Pd being energetically unfavorable for larger thicknesses. Furthermore, we have successfully carried out liquid exfoliation of the resulting Pd-GO laminates to isolate Pd nanosheets and have demonstrated their high efficiency in continuous flow catalysis and electrocatalysis. | ||||
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Language | Wos | 000475533900060 | Publication Date | 2019-06-07 | |
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ISSN | 1530-6984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.712 | Times cited | 17 | Open Access | |
Notes | ; This work was supported by the Royal Society, Engineering and Physical Sciences Research Council, U.K. (EP/S019367/1, EP/P025021/1, EP/K016946/1, and EP/ P009050/1), Graphene Flagship, and European Research Council (contract 679689 and EvoluTEM). We thank Dr. Sheng Zheng and Dr. K. S. Vasu at the University of Manchester for assisting us with sample preparation and characterization. The authors acknowledge the use of the facilities at the Henry Royce Institute for Advanced Materials and associated support services. V.K.P. and C.H. are grateful for the resources and support provided via membership in the UK Catalysis Hub Consortium and funding by EPSRC (Portfolio grants EP/K014706/2, EP/K014668/1, EP/K014854/1, EP/K014714/1, and EP/I019693/1). F.M.P. and M.N.-A. acknowledge the support from the Flemish Science Foundation (FWO-Vl). ; | Approved | Most recent IF: 12.712 | ||
Call Number | UA @ admin @ c:irua:161245 | Serial | 5426 | ||
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Author | Daems, D.; Rutten, I.; Bath, J.; Decrop, D.; Van Gorp, H.; Pérez Ruiz, E.; De Feyter, S.; Turberfield, A.J.; Lammertyn, J. | ||||
Title | Controlling the bioreceptor spatial distribution at the nanoscale for single molecule counting in microwell arrays | Type | A1 Journal article | ||
Year | 2019 | Publication | ACS sensors | Abbreviated Journal | |
Volume | 4 | Issue | 9 | Pages | 2327-2335 |
Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract ![]() |
The ability to detect low concentrations of protein biomarkers is crucial for the early-stage detection of many diseases and therefore indispensable for improving diagnostic devices for healthcare. Here, we demonstrate that by integrating DNA nanotechnologies like DNA origami and aptamers, we can design innovative biosensing concepts for reproducible and sensitive detection of specific targets. DNA origami structures decorated with aptamers were studied as a novel tool to structure the biosensor surface with nanoscale precision in a digital detection bioassay, enabling control of the density, orientation, and accessibility of the bioreceptor to optimize the interaction between target and aptamer. DNA origami was used to control the spatial distribution of an in-house-generated aptamer on superparamagnetic microparticles, resulting in an origami-linked digital aptamer bioassay to detect the main peanut antigen Ara h1 with 2-fold improved signal-to-noise ratio and 15-fold improved limit of detection compared to a digital bioassay without DNA origami. Moreover, the sensitivity achieved was 4 orders of magnitude higher than commercially available and literature-reported enzyme-linked immunosorbent assay techniques. In conclusion, this novel and innovative approach to engineer biosensing interfaces will be of major interest to scientists and clinicians looking for new molecular insights and ultrasensitive detection of a broad range of targets, and, for the next generation of diagnostics. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000488424100014 | Publication Date | 2019-08-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2379-3694 | 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:166106 | Serial | 7730 | ||
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Author | Demiroglu, I.; Peeters, F.M.; Gulseren, O.; Cakir, D.; Sevik, C. | ||||
Title | Alkali metal intercalation in MXene/graphene heterostructures : a new platform for ion battery applications | Type | A1 Journal article | ||
Year | 2019 | Publication | The journal of physical chemistry letters | Abbreviated Journal | J Phys Chem Lett |
Volume | 10 | Issue | 4 | Pages | 727-734 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
The adsorption and diffusion of Na, K, and Ca atoms on MXene/graphene heterostructures of MXene systems Sc2C(OH)(2), Ti2CO2, and V2CO2 are systematically investigated by using first-principles methods. We found that alkali metal intercalation is energetically favorable and thermally stable for Ti2CO2/graphene and V2CO2/graphene heterostructures but not for Sc2C(OH)(2). Diffusion kinetics calculations showed the advantage of MXene/graphene heterostructures over sole MXene systems as the energy barriers are halved for the considered alkali metals. Low energy barriers are found for Na and K ions, which are promising for fast charge/discharge rates. Calculated voltage profiles reveal that estimated high capacities can be fully achieved for Na ion in V2CO2/graphene and Ti2CO2/graphene heterostructures. Our results indicate that Ti2CO2/graphene and V2CO2/graphene electrode materials are very promising for Na ion battery applications. The former could be exploited for low voltage applications while the latter will be more appropriate for higher voltages. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000459948800005 | Publication Date | 2019-01-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1948-7185 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.353 | Times cited | 88 | Open Access | |
Notes | ; We acknowledge the support from the TUBITAK (116F080) and the BAGEP Award of the Science Academy. Part of this work was supported by the FLAG -ERA project TRANS-2D-TMD. A part of this work was supported by University of North Dakota Early Career Award (Grant number: 20622-4000-02624). We also acknowledge financial support from ND EPSCoR through NSF grant OIA-1355466. Computational resources were provided by the High Performance and Grid Computing Center (TRGrid e-Infrastructure) of TUBITAK ULAKBIM, the National Center for High Performance Computing (UHeM) of Istanbul Technical University, and Computational Research Center (HPC Linux cluster) at the University of North Dakota. This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User Facility, and supported by the U.S. Department of Energy, Office of Science, under contract no. DE-AC02-06CH11357. ; | Approved | Most recent IF: 9.353 | ||
Call Number | UA @ admin @ c:irua:158618 | Serial | 5194 | ||
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Author | Zeng, C.Y.; Cao, S.; Li, Y.Y.; Zhao, Z.X.; Yao, X.Y.; Ma, X.; Zhang, X.P. | ||||
Title | A hidden single-stage martensitic transformation from B2 parent phase to B19 ' martensite phase in an aged Ni51Ti49 alloy | Type | A1 Journal article | ||
Year | 2019 | Publication | Materials letters | Abbreviated Journal | Mater Lett |
Volume | 253 | Issue | 253 | Pages | 99-101 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The aged Ni-rich NiTi shape memory alloys (SMAs) exhibit the multi-stage martensitic transformation (MMT), which has important influences on functional properties and practical applications of the NiTi SMAs. A hidden single-stage martensitic transformation from B2 parent phase to B19' martensite phase is found in an aged Ni51Ti49 alloy, which happens concurrently with a commonly observed two-stage martensitic transformation B2-R-B19' (R: martensite phase) and actually composes one stage of a multi-stage martensitic transformation (MMT) together with the two-stage one. B2-B19' martensitic transformation occurs in the NiTi matrix containing Ni4Ti3 precipitates with relatively large inter-particle space, while B2-R-B19' transformation takes place in the NiTi matrix with Ni4Ti3 precipitates having relatively small inter-particle space. (C) 2019 Elsevier B.V. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000482629500025 | Publication Date | 2019-06-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0167-577x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.572 | Times cited | Open Access | ||
Notes | ; This work was supported by the Natural Science Foundation of Guangdong Province under Grant Nos. 2018B0303110012 and 2017A030313323, and the National Natural Science Foundation of China under Grant Nos. 51401081 and 51571092. ; | Approved | Most recent IF: 2.572 | ||
Call Number | UA @ admin @ c:irua:162764 | Serial | 5381 | ||
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Author | Razzokov, J.; Yusupov, M.; Bogaerts, A. | ||||
Title | Oxidation destabilizes toxic amyloid beta peptide aggregation | Type | A1 Journal article | ||
Year | 2019 | Publication | Scientific reports | Abbreviated Journal | Sci Rep-Uk |
Volume | 9 | Issue | 1 | Pages | 5476 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
The aggregation of insoluble amyloid beta (Aβ) peptides in the brain is known to trigger the onset of neurodegenerative diseases, such as Alzheimer’s disease. In spite of the massive number of investigations, the underlying mechanisms to destabilize the Aβ aggregates are still poorly understood. Some studies indicate the importance of oxidation to destabilize the Aβ aggregates. In particular, oxidation induced by cold atmospheric plasma (CAP) has demonstrated promising results in eliminating these toxic aggregates. In this paper, we investigate the effect of oxidation on the stability of an Aβ pentamer. By means of molecular dynamics simulations and umbrella sampling, we elucidate the conformational changes of Aβ pentamer in the presence of oxidized residues, and we estimate the dissociation free energy of the terminal peptide out of the pentamer form. The calculated dissociation free energy of the terminal peptide is also found to decrease with increasing oxidation. This indicates that Aβ pentamer aggregation becomes less favorable upon oxidation. Our study contributes to a better insight in one of the potential mechanisms for inhibition of toxic Aβ peptide aggregation, which is considered to be the main culprit to Alzheimer’s disease. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000462990000018 | Publication Date | 2019-04-02 | |
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 | 5 | Open Access | OpenAccess |
Notes | M.Y. gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), grant 1200216N and 1200219N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. | Approved | Most recent IF: 4.259 | ||
Call Number | PLASMANT @ plasmant @UA @ admin @ c:irua:159367 | Serial | 5182 | ||
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Author | Sabzalipour, A.; Partoens, B. | ||||
Title | Anomalous Hall effect in magnetic topological insulators : semiclassical framework | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 100 | Issue | 3 | Pages | 035419 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
The anomalous Hall effect (AHE) is studied on the surface of a 3D magnetic topological insulator. By applying a modified semiclassical framework, all three contributions to the AHE, the Berry curvature effect, the side jump effect and the skew scattering effects are systematically treated, and analytical expressions for the conductivities are obtained in terms of the Fermi level, the spatial orientation of the surface magnetization and the concentration of magnetic and nonmagnetic impurities. We demonstrate that the AHE can change sign by altering the orientation of the surface magnetization, the concentration of the impurities and also the position of the Fermi level, in agreement with recent experimental observations. We show how each contribution to the AHE, or even the whole AHE, can be turned off by properly adjusting the given parameters. For example, one can turn off the anomalous hall conductivity in a system with in-plane magnetization by pushing the system into the fully metallic regime. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000475499200007 | Publication Date | 2019-07-15 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 2 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:161219 | Serial | 5406 | ||
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Author | Hadermann, J.; Abakumov, A.M. | ||||
Title | Structure solution and refinement of metal-ion battery cathode materials using electron diffraction tomography | Type | A1 Journal article | ||
Year | 2019 | Publication | And Materials | Abbreviated Journal | |
Volume | 75 | Issue | 4 | Pages | 485-494 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The applicability of electron diffraction tomography to the structure solution and refinement of charged, discharged or cycled metal-ion battery positive electrode (cathode) materials is discussed in detail. As these materials are often only available in very small amounts as powders, the possibility of obtaining single-crystal data using electron diffraction tomography (EDT) provides unique access to crucial information complementary to X-ray diffraction, neutron diffraction and high-resolution transmission electron microscopy techniques. Using several examples, the ability of EDT to be used to detect lithium and refine its atomic position and occupancy, to solve the structure of materials ex situ at different states of charge and to obtain in situ data on structural changes occurring upon electrochemical cycling in liquid electrolyte is discussed. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000480512600002 | Publication Date | 2019-08-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | ||
Impact Factor | Times cited | 2 | Open Access | ||
Notes | ; The following funding is acknowledged: Fonds Wetenschappelijk Onderzoek (grant No. G040116N); Russian Foundation of Basic Research (grant No. 17-03-00370-a). ; | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:161846 | Serial | 5397 | ||
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Author | van den Bos, K.H.W.; Janssens, L.; De Backer, A.; Nellist, P.D.; Van Aert, S. | ||||
Title | The atomic lensing model: new opportunities for atom-by-atom metrology of heterogeneous nanomaterials | Type | A1 Journal article | ||
Year | 2019 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
Volume | 203 | Issue | Pages | 155 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The atomic lensing model has been proposed as a promising method facilitating atom-counting in heterogeneous nanocrystals [1]. Here, image simulations will validate the model, which describes dynamical diffraction as a superposition of individual atoms focussing the incident electrons. It will be demonstrated that the model is reliable in the annular dark field regime for crystals having columns containing dozens of atoms. By using the principles of statistical detection theory, it will be shown that this model gives new opportunities for detecting compositional differences. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000465021000020 | Publication Date | 2018-12-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.843 | Times cited | 4 | Open Access | OpenAccess |
Notes | The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0369.15N, G.0502.18N and WO.010.16N), and by personal grants to K.H.W. van den Bos and A. De Backer. This project has received funding from the European Research Council (ERC) under the European Unions Horizon 2020 research and innovation programme (grant agreement No. 770887). | Approved | Most recent IF: 2.843 | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:155721 | Serial | 5074 | ||
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Author | Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rodriguez, J.A.; Milošević, M.V.; Peeters, F.M. | ||||
Title | Tunable 2D-gallium arsenide and graphene bandgaps in a graphene/GaAs heterostructure : an ab initio study | Type | A1 Journal article | ||
Year | 2019 | Publication | Journal of physics : condensed matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 31 | Issue | 26 | Pages | 265502 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
The bandgap behavior of 2D-GaAs and graphene have been investigated with van der Waals heterostructured into a yet unexplored graphene/GaAs bilayer, under both uniaxial stress along c axis and different planar strain distributions. The 2D-GaAs bandgap nature changes from Gamma-K indirect in isolated monolayer to Gamma-Gamma direct in graphene/GaAs bilayer. In the latter, graphene exhibits a bandgap of 5 meV. The uniaxial stress strongly affects the graphene electronic bandgap, while symmetric in-plane strain does not open the bandgap in graphene. Nevertheless, it induces remarkable changes on the GaAs bandgap-width around the Fermi level. However, when applying asymmetric in-plane strain to graphene/GaAs, the graphene sublattice symmetry is broken, and the graphene bandgap is open at the Fermi level to a maximum width of 814 meV. This value is much higher than that reported for just graphene under asymmetric strain. The Gamma-Gamma direct bandgap of GaAs remains unchanged in graphene/ GaAs under different types of applied strain. The analyses of phonon dispersion and the elastic constants yield the dynamical and mechanical stability of the graphene/GaAs system, respectively. The calculated mechanical properties for bilayer heterostructure are better than those of their constituent monolayers. This finding, together with the tunable graphene bandgap not only by the strength but also by the direction of the strain, enhance the potential for strain engineering of ultrathin group-III-V electronic devices hybridized by graphene. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000465887100001 | Publication Date | 2019-03-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.649 | Times cited | 10 | Open Access | |
Notes | ; This work has been carried out with the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216; and the partial support of DGAPA-UNAM project IN114817-3. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; DGTIC-UNAM under project LANCAD-UNAM-DGTIC-150, and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; | Approved | Most recent IF: 2.649 | ||
Call Number | UA @ admin @ c:irua:160216 | Serial | 5236 | ||
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Author | Maes, D.; Van Passel, S. | ||||
Title | Effective bioeconomy policies for the uptake of innovative technologies under resource constraints | Type | A1 Journal article | ||
Year | 2019 | Publication | Biomass & Bioenergy | Abbreviated Journal | Biomass Bioenerg |
Volume | 120 | Issue | 120 | Pages | 91-106 |
Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
Abstract ![]() |
The bioeconomy is a shared vision for a future European industry entirely based on organic matter. Authorities support this technological development with subsidies and policies stimulating R&D. One major limitation for the bioeconomy is that R&D and industrial growth require the continuous availability of biomass as a primary resource. This resource dependence is already present during the formative years of new biobased innovations and influences the pilot and demonstration phase of the development. Traditionally, it is assumed that public support for pilot and demonstration initiatives may overcome this hurdle. In this paper, we investigate how this resource constraint limits the effectiveness of bioeconomy policies. The future development of the biobased sector is simulated including the inherent dependence of industrial activity on biomass. We simulate the future growth and technological diversity of an emerging biotechnological sector: the sector of manure transformation in Belgium. The paper reports the evolutions for three policy scenarios. The model explicitly accounts for endogenous innovation and knowledge transfer mechanisms. The results show that policies may have an important impact on the sector structure in the long run, but the sector growth remains ultimately constrained by the availability of inputs. So bioeconomy policies to promote innovation will be less effective, unless mechanisms are included to alleviate the resource constraint. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000454887700011 | Publication Date | 2018-11-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0961-9534 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.219 | Times cited | 3 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.219 | ||
Call Number | UA @ admin @ c:irua:156757 | Serial | 6191 | ||
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Author | Cassidy, S.J.; Pitcher, M.J.; Lim, J.J.K.; Hadermann, J.; Allen, J.P.; Watson, G.W.; Britto, S.; Chong, E.J.; Free, D.G.; Grey, C.P.; Clarke, S.J. | ||||
Title | Layered CeSO and LiCeSO oxide chalcogenides obtained via topotactic oxidative and reductive transformations | Type | A1 Journal article | ||
Year | 2019 | Publication | Inorganic chemistry | Abbreviated Journal | Inorg Chem |
Volume | 58 | Issue | 6 | Pages | 3838-3850 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The chemical accessibility of the Celv oxidation state enables redox chemistry to be performed on the naturally coinagemetal -deficient phases CeM1-xSO (M = Cu, Ag). A metastable black compound with the PbFC1 structure type (space group P4/nmm: a = 3.8396(1) angstrom, c = 6.607(4) angstrom, V = 97.40(6) angstrom(3)) and a composition approaching CeSO is obtained by deintercalation of Ag from CeAg0.8SO. High-resolution transmission electron microscopy reveals the presence of large defect-free regions in CeSO, but stacking faults are also evident which can be incorporated into a quantitative model to account for the severe peak anisotropy evident in all the highresolution X-ray and neutron diffractograms of bulk CeSO samples; these suggest that a few percent of residual Ag remains. A strawcolored compound with the filled PbFCI (i.e., ZrSiCuAs- or HfCuSi2type) structure (space group P4/nmm: a = 3.98171(1) angstrom, c = 8.70913(5) angstrom, V = 138.075(1) angstrom 3) and a composition close to LiCeSO, but with small amounts of residual Ag, is obtained by direct reductive lithiation of CeAga8S0 or by insertion of Li into CeSO using chemical or electrochemical means. Computation of the band structure of pure, stoichiometric CeSO predicts it to be a Ce' compound with the 4f-states lying approximately 1 eV above the sulfide-dominated valence band maximum. Accordingly, the effective magnetic moment per Ce ion measured in the CeSO samples is much reduced from the value found for the Ce3+-containing LiCeSO, and the residual paramagnetism corresponds to the Ce3+ ions remaining due to the presence of residual Ag, which presumably reflects the difficulty of stabilizing Ce' in the presence of sulfide (S2-). Comparison of the behavior of CeCu0.8SO with that of CeCu0.8SO reveals much slower reaction kinetics associated with the Cu,_xS layers, and this enables intermediate CeCui LixSO phases to be isolated. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000461978700036 | Publication Date | 2019-02-25 | |
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 | ; We thank the UK EPSRC (EP/M020517/1 and EP/P018874/1), the Leverhulme Trust (RPG-2014-221), and Science Foundation Ireland (Grant 12/IA/1414) for funding and the EPSRC for additional studentship support. We acknowledge the ISIS pulsed neutron and muon source and the Diamond Light Source Ltd. (EE13284 and EE18786) and the ESRF for the award of beam time. We thank Dr. R I. Smith for assistance on the neutron beamlines, Dr. A. Baker and Dr. C. Murray for support on III, and Dr. C. Curls for support on ID31. ; | Approved | Most recent IF: 4.857 | ||
Call Number | UA @ admin @ c:irua:159426 | Serial | 5253 | ||
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Author | Dharma-Wardana, M.W.C.; Neilson, D.; Peeters, F.M. | ||||
Title | Correlation functions in electron-electron and electron-hole double quantum wells : temperature, density, and barrier-width dependence | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 99 | Issue | 3 | Pages | 035303 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
The classical-map hypernetted-chain (CHNC) scheme, developed for treating fermion fluids at strong coupling and at finite temperatures, is applied to electron-electron and electron-hole double quantum wells. The pair-distribution functions and the local field factors needed in linear-response theory are determined for a range of temperatures, carrier densities, and barrier widths typical for experimental double-quantum-well systems in GaAs-GaAlAs. For electron-hole double quantum wells, a large enhancement in the pair-distribution functions is found for small carrier separations. The CHNC equations for electron-hole systems no longer hold at low densities where bound-state formation occurs. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000455163800004 | Publication Date | 2019-01-08 | |
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 | 6 | Open Access | |
Notes | ; This work was partially supported by the Flemish Science Foundation (FWO-Vl). M.W.C.D.-W. acknowledges with thanks the hospitality and stimulating atmosphere of the Condensed Matter Theory group at the University of Antwerp. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:156734 | Serial | 5201 | ||
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Author | Monico, L.; Sorace, L.; Cotte, M.; de Nolf, W.; Janssens, K.; Romani, A.; Miliani, C. | ||||
Title | Disclosing the binding medium effects and the pigment solubility in the (photo)reduction process of chrome yellows (PbCrO4/PbCr1-xSxO4) | Type | A1 Journal article | ||
Year | 2019 | Publication | ACS Omega | Abbreviated Journal | |
Volume | 4 | Issue | 4 | Pages | 6607-6619 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract ![]() |
The darkening due to chemical alteration of chrome yellows (PbCrO4/PbCr1-xSxO4) is a phenomenon threatening a large number of 19th-20th century paintings, including the Amsterdam Sunflowers by Vincent van Gogh. Our earlier studies have proven that the alteration is due to a Cr(VI) -> Cr(III) reduction with Cr(V)-species that are formed as long-lived intermediates and that bCr(1-x)S(x)O(4) (0 < x <= 0.8) types undergo reduction more readily than monoclinic, S-free, PbCrO4. In this context, there is still lack of knowledge about the effects of the chemical properties of the binding medium (i.e., chemical composition and drying process) and the solubility of chrome yellows on the overall reduction pathways. Here, we study a series of naturally and photochemically aged mock-up paints prepared by mixing chrome yellow powders (PbCrO4/PbCr0.2S0.8O4) with either linseed oil or a water-based acrylic emulsion as the binding medium. Equivalent paints made up of the highly soluble K2CrO4 were also investigated and used as benchmarks to provide a more in-depth understanding of the influence of the solubility on the chromate reduction pathways in the two different binders. A combination of synchrotron radiation-based Cr K-edge X-ray absorption near edge structure (XANES), electron paramagnetic resonance (EPR), and UV-Visible spectroscopy measurements shows that: (1) the Cr(VI) reduction results from the interaction between the pigment and the binder; (2) the process is more significant in oil, giving rise to Cr(V)- and Cr(III)-species as well as oxidized organic compounds; (3) the lightfastness of the chrome yellow pigment is enhanced in the acrylic binder; and (4) the tendency toward chromium reduction increases with increasing solubility of the pigment. Based on our findings, we propose a scheme for the mechanism of the (photo)reduction process of chrome yellows in the oil and acrylic binder. Overall, our results provide new insights into the factors driving the degradation of lead chromate-based paints in artworks and contribute to the development of strategies for preserving them over time. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000466552500057 | Publication Date | 2019-04-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2470-1343 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 4 | Open Access | ||
Notes | ; The research was financially supported by the European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (grant agreement n. 654028), and by the project AMIS, within the program Dipartimenti di Eccellenza 2018-2022, funded by MIUR and University of Perugia. The University of Perugia is also acknowledged for financial support under the program “Ricerca di Base 2017”. L.S. acknowledges the financial support of Ente CRF. For the beamtime grants received, we thank the ESRF (experiment no. HG64 and in-house beamtimes). ; | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:160416 | Serial | 5577 | ||
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Author | Sandfeld, S.; Samaee, V.; Idrissi, H.; Groten, J.; Pardoen, T.; Schwaiger, R.; Schryvers, D. | ||||
Title | Datasets for the analysis of dislocations at grain boundaries and during vein formation in cyclically deformed Ni micropillars | Type | A1 Journal article | ||
Year | 2019 | Publication | Data in Brief | Abbreviated Journal | |
Volume | 27 | Issue | 27 | Pages | 104724 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The dataset together with the corresponding Python scripts and Jupyter notebooks presented in this article are supplementary data for the work presented in Samaee et al., 2019 [1]. The data itself consists of two parts: the simulation data that was used in [1] to analyze the effect of a particular grain boundary on curved dislocations and the precession electron diffraction (PED) strain maps together with post-processed data for analyzing details of the observed dislocation vein structures. Additionally, the complete stress tensor components, which are not shown in [1], have also been included. The data sets are accompanied by Python code explaining the file formats and showing how to post-process the data. (c) 2019 The Author(s). Published by Elsevier Inc. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000501988200181 | Publication Date | 2019-11-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2352-3409 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:165092 | Serial | 6292 | ||
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Author | Houben, K.; Jochum, J.K.; Lozano, D.P.; Bisht, M.; Menendez, E.; Merkel, D.G.; Ruffer, R.; Chumakov, A., I; Roelants, S.; Partoens, B.; Milošević, M.V.; Peeters, F.M.; Couet, S.; Vantomme, A.; Temst, K.; Van Bael, M.J. | ||||
Title | In situ study of the \alpha-Sn to \beta-Sn phase transition in low-dimensional systems : phonon behavior and thermodynamic properties | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 100 | Issue | 7 | Pages | 075408 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
The densities of phonon states of thin Sn films on InSb substrates are determined during different stages of the alpha-Sn to beta-Sn phase transition using nuclear inelastic x-ray scattering. The vibrational entropy and internal energy per atom as a function of temperature are obtained by numerical integration of the phonon density of states. The free energy as a function of temperature for the nanoscale samples is compared to the free energy obtained from ab initio calculations of bulk tin in the alpha-Sn and beta-Sn phase. In thin films this phase transition is governed by the interplay between the vibrational behavior of the film (the phase transition is driven by the vibrational entropy) and the stabilizing influence of the substrate (which depends on the film thickness). This brings a deeper understanding of the role of lattice vibrations in the phase transition of nanoscale Sn. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000478992800005 | Publication Date | 2019-08-08 | |
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 | 9 | Open Access | |
Notes | ; This work was supported by the Research Foundation Flanders (FWO) and the Concerted Research Action (Grant No. GOA14/007). K.H., S.C., D.P.L., and E.M. wish to thank the FWO for financial support. The authors gratefully acknowledge the European Synchrotron Radiation Facility (ESRF) for the granted beam time and the use of the in situ UHV preparation chamber. The authors thank B. Opperdoes for technical support and T. Peissker and R. Lieten for fruitful discussions. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:161836 | Serial | 5416 | ||
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Author | Charalampopoulou, E.; Delville, R.; Verwerft, M.; Lambrinou, K.; Schryvers, D. | ||||
Title | Transmission electron microscopy study of complex oxide scales on DIN 1.4970 steel exposed to liquid Pb-Bi eutectic | Type | A1 Journal article | ||
Year | 2019 | Publication | Corrosion science | Abbreviated Journal | Corrosion Science |
Volume | 147 | Issue | Pages | 22-31 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The deployment of Gen-IV lead-cooled fast reactors requires a good compatibility between the selected structural/cladding steels and the inherently corrosive heavy liquid metal coolant. An effective liquid metal corrosion mitigation strategy involves the in-situ steel passivation in contact with the oxygen-containing Pb-alloy coolant. Transmission electron microscopy was used in this work to study the multi-layered oxide scales forming on an austenitic stainless steel fuel cladding exposed to oxygen-containing (CO ≈ 10−6 mass%) static liquid leadbismuth eutectic (LBE) for 1000 h between 400 and 500 °C. The oxide scale constituents were analyzed, including the intertwined phases comprising the innermost biphasic layer. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000456902100003 | Publication Date | 2018-10-31 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0010938X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 5 | Open Access | OpenAccess | |
Notes | The authors would like to thank J. Joris for the technical support during corrosion testing and J. Lim for the manufacturing and calibration of the oxygen sensors and oxygen pumps used in this work. E. Charalampopoulou personally thanks H. Heidari, S. Pourbabak, A. Orekhov (EMAT) and N. Cautaerts (EMAT, SCK•CEN), for their valuable help with the training of the FEI Tecnai Osiris S/TEM and Jeol 3000 S/ TEM, respectively, as well as S. Van den Broeck (EMAT), J. Pakarinen (SCK•CEN) and W. Van Renterghem (SCK•CEN) for FIB sample preparation. Moreover, the authors gratefully acknowledge the funding provided in the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). | Approved | Most recent IF: NA | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:157541 | Serial | 5164 | ||
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Author | Miotti Bettanini, A.; Ding, L.; Mithieux, J.-D.; Parrens, C.; Idrissi, H.; Schryvers, D.; Delannay, L.; Pardoen, T.; Jacques, P.J. | ||||
Title | Influence of M23C6 dissolution on the kinetics of ferrite to austenite transformation in Fe-11Cr-0.06C stainless steel | Type | A1 Journal article | ||
Year | 2019 | Publication | Materials & design | Abbreviated Journal | Mater Design |
Volume | 162 | Issue | Pages | 362-374 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The design of high-strength martensitic stainless steels requires an accurate control over the stability of undesired phases, like carbides and ferrite, which can hamper strength and ductility. Here, the ferrite to austenite transformation in Fe-11Cr-0.06C has been studied with a combined experimental-modelling approach. Experimental observations of the austenization process indicate that austenite growth proceeds in multiple steps, each one characterized by a different transformation rate. DICTRA based modelling reveals that the dissolution of the M23C6 Cr-rich carbides leads to Cr partitioning between austenite and parent phases, which controls the rate of transformation through (i) a soft-impingement effect and (ii) consequent stabilization of the ferrite, which remains untransformed inside chromium-enriched-zones even after prolonged austenization stage. Slow heating rate and smaller initial particle sizes allow the design of ferrite-free microstructure. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000454128400036 | Publication Date | 2018-12-06 | |
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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 | 3 | Open Access | OpenAccess |
Notes | The authors thank Professor Anne-Francoise Gourgues-Lorenzon and Helene Godin, Ecole Nationale Superiore des Mines de Paris (MINES ParisTech) for their fruitful discussions. AMB thanks Stijn Van den broek (Universiteit Antwerpen) for the skillful preparation of TEM samples with FIB. The financial support of CBMM (Companhia Brasileira de Metalurgia e Mineracao) is gratefully acknowledged. L. Delannay is mandated by the FNRS-Belgium. Computational resources have been provided by the supercomputing facilities of the UCLouvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CÉCI) funded by the Fond de la Recherche Scientifique de Belgique (F.R.S.-FNRS) under convention 2.5020.11.; Cbmm; F.r.s.-fnrs, 2.5020.11 ; | Approved | Most recent IF: 4.364 | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:156721 | Serial | 5161 | ||
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Author | Idrissi, H.; Samaee, V.; Lumbeeck, G.; van der Werf, T.; Pardoen, T.; Schryvers, D.; Cordier, P. | ||||
Title | Supporting data for “In situ Quantitative Tensile Tests on Antigorite in a Transmission Electron Microscope” | Type | Dataset | ||
Year | 2019 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | |||
Keywords | Dataset; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The determination of the mechanical properties of serpentinites is essential towards the understanding of the mechanics of faulting and subduction. Here, we present the first in situ tensile tests on antigorite in a transmission electron microscope. A push-to-pull deformation device is used to perform quantitative tensile tests, during which force and displacement are measured, while the microstructure is imaged with the microscope. The experiments have been performed at room temperature on beams prepared by focused ion beam. The specimens are not single crystals despite their small sizes. Orientation mapping indicated that some grains were well-oriented for plastic slip. However, no dislocation activity has been observed even though engineering tensile stress went up to 700 MPa. We show also that antigorite does not exhibit an pure elastic-brittle behaviour since, despite the presence of defects, the specimens underwent plastic deformation and did not fail within the elastic regime. Instead, we observe that strain localizes at grain boundaries. All observations concur to show that under our experimental conditions, grain boundary sliding is the dominant deformation mechanism. This study sheds a new light on the mechanical properties of antigorite and calls for further studies on the structure and properties of grain boundaries in antigorite and more generally in phyllosilicates. | ||||
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Language | Wos | Publication Date | |||
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ISSN | ISBN | Additional Links | UA library record | ||
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:169107 | Serial | 6891 | ||
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Author | Yuan, S.; Pu, Z.; Zhou, H.; Yu, J.; Amiinu, I.S.; Zhu, J.; Liang, Q.; Yang, J.; He, D.; Hu, Z.; Van Tendeloo, G.; Mu, S. | ||||
Title | A universal synthesis strategy for single atom dispersed cobalt/metal clusters heterostructure boosting hydrogen evolution catalysis at all pH values | Type | A1 Journal article | ||
Year | 2019 | Publication | Nano energy | Abbreviated Journal | Nano Energy |
Volume | 59 | Issue | 59 | Pages | 472-480 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
The development of a stable, efficient and economic catalyst for hydrogen evolution reaction (HER) of water splitting is one of the most hopeful approaches to confront the environmental and energy crisis. A two-step method is employed to obtain metal clusters (Ru, N, Pd etc.) combining single cobalt atoms anchored on nitrogen-doped carbon (Ru/Pt/Pd@Co-SAs/N-C). Based on the synergistic effect between Ru clusters and single cobalt atoms, Ru@Co-SAs/N-C exhibits an outstanding HER electrocatalytic activity. Specifically, Ru@Co-SAs/N-C only needs 7 mV overpotential at 10 mA cm(-2) in 1 M KOH solution, which is much better than commercial 20 wt% PVC (40 mV) catalyst. Density functional theory (DFT) calculations further reveal the synergy effect between surface Ru nanoclusters and Co-SAs/N-C toward hydrogen adsorption for HER. Additionally, Ru@CoSAs/N-C also exhibits excellent catalytic ability and durability under acidic and neutral media. The present study opens a new avenue towards the design of metal clusters/single cobalt atoms heterostructures with outstanding performance toward HER and beyond. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000463032200051 | Publication Date | 2019-02-25 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2211-2855 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.343 | Times cited | 33 | Open Access | Not_Open_Access: Available from 01.11.2019 |
Notes | ; S.Y., Z.P. and H.Z. contributed equally to this work. This work was financed by the National Natural Science Foundation of China (Grant No. 51372186, 51672204, 51701146) and the Fundamental Research Funds for the Central Universities (WUT: 2017III055, 2018III039GX, 2018IVA095). We express heartfelt thanks to Prof. Gaoke Zhang for the supply of computational resources in the School of Resources and Environmental Engineering, Wuhan University of Technology. ; | Approved | Most recent IF: 12.343 | ||
Call Number | UA @ admin @ c:irua:159330 | Serial | 5240 | ||
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