| |
Records |
Links |
|
Author |
Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M. |
|
| |
Title |
Electro-optical properties of monolayer and bilayer boron-doped C₃N: Tunable electronic structure via strain engineering and electric field |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
|
| |
Volume |
168 |
Issue |
|
Pages |
220-229 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
In this work, the structural, electronic and optical properties of monolayer and bilayer of boron doped C3N are investigated by means of density functional theory-based first-principles calculations. Our results show that with increasing the B dopant concentration from 3.1% to 12.5% in the hexagonal pattern, an indirect-to-direct band gap (0.8 eV) transition occurs. Furthermore, we study the effect of electric field and strain on the B doped C3N bilayer (B-C3N@2L). It is shown that by increasing E-field strength from 0.1 to 0.6V/angstrom, the band gap displays almost a linear decreasing trend, while for the > 0.6V/angstrom, we find dual narrow band gap with of 50 meV (in parallel E-field) and 0.4 eV (in antiparallel E-field). Our results reveal that in-plane and out-of-plane strains can modulate the band gap and band edge positions of the B-C3N@2L. Overall, we predict that B-C3N@2L is a new platform for the study of novel physical properties in layered two-dimensional materials (2DM) which may provide new opportunities to realize high-speed low-dissipation devices. (C) 2020 Elsevier Ltd. All rights reserved. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000565900900008 |
Publication Date |
2020-07-13 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0008-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
10.9 |
Times cited |
21 |
Open Access |
|
|
| |
Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government(MSIT) (NRF-2017R1A2B2011989). M. Yagmurcukardes acknowledges Flemish Science Foundation (FWO-VI) by a postdoctoral fellowship. ; |
Approved |
Most recent IF: 10.9; 2020 IF: 6.337 |
|
| |
Call Number  |
UA @ admin @ c:irua:171914 |
Serial |
6500 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bencs, L.; Horemans, B.; Buczyńska, A.J.; Deutsch, F.; Degraeuwe, B.; Van Poppel, M.; Van Grieken, R. |
|
| |
Title |
Seasonality of ship emission related atmospheric pollution over coastal and open waters of the North Sea |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Atmospheric Environment: X |
Abbreviated Journal |
|
|
| |
Volume |
7 |
Issue |
|
Pages |
100077-11 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
The seasonal changes of a large set of atmospheric pollutants (i.e., gases, water-soluble aerosols, metallic/elemental components and black carbon (BC) content) have been studied over the southern bight of the North Sea (the Belgian Continental Shelf) and the English Channel during several marine sampling campaigns, carried out in 2010-2011. A coastal research station at De Haan, Belgium was concurrently used as a background air monitoring site. Size-segregated aerosols (PM1, PM2.5-1, PM10-2.5) were analyzed for particulate mass, elemental content and water-soluble (ionic) compounds, while the equivalent BC content in PM10 was monitored with an Aethalometer. The results clearly demonstrated that the aerosols originating from ship exhaust emissions contributed mostly to fine fraction (PM1), and to a lesser extent to medium-sized fraction (PM2.5-1), whereas components of sea spray and of mineral/soil origin were dominating in the medium-size and coarse aerosol fractions. Looking at seasonal differences, more ship emission related components occurred in the fine and medium-sized PM during winter. Mineral aerosol components were more apparent in coarse PM and especially during the cold season, increased levels were noted. Similarly, higher concentrations of marine fine PM were found during winter, likely due to more extensive ship emissions and/or calm weather conditions. Gaseous pollutants (e.g., HNO2, HNO3, HCl, SO2, NH3) originating from exhaust fumes of ocean-going ships mostly reached the maximum levels in the cold season as well, thus supporting the more intense formation of secondary aerosols. The seasonal trends of total (inorganic) ionic species sampled on the open sea and at the coastal station were usually similar to those of the corresponding PM masses, peaking in the cold season. Sea salt bound fine sulfate and nitrate peaked in spring or the cold season for marine areas, whereas for the coastal site they clearly reached the maximum in the cold season. Ammonium-bound nitrates and sulfates in each PM fraction reached their peak air levels in the cold season over marine sites. Similar seasonal trends could be observed for the coastal station. The general tendency of aerosol distribution over the study areas was independent of the sampling site: the higher the aerosol mass on the open sea with ship traffic, the higher the suspended particulate mass sampled at the coast. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000571429900007 |
Publication Date |
2020-05-14 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2590-1621 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
; The participating researchers of this study gratefully acknowledge the funding from the Belgian Science Policy Office (BELSPO) under the SHIPFLUX project (assignation No.: SD/NS/07A). The researchers thank Jan Van Loock (UA), Andr.e Cattrijsse (VLIZ) and Frank Broucke (VLIZ) for their help with the logistics, sampling and organization of the field/marine studies and Francisco (Tjess) Hernandez (VLIZ) for his help in getting access to the weather data. The participants also want to express their sincere thanks to the crew of R/V Belgica for their help and cooperation in the marine expeditions. ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:171924 |
Serial |
6599 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Parchomenko, A.; Nelen, D.; Gillabel, J.; Vrancken, K.C.M.; Rechberger, H. |
|
| |
Title |
Evaluation of the resource effectiveness of circular economy strategies through multilevel statistical entropy analysis |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
|
| |
Volume |
161 |
Issue |
|
Pages |
104925-16 |
|
| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
Abstract |
In a circular economy (CE), materials, components and products should be kept at the highest level of functionality, while phenomena like dilution, mixing and contamination, often referred to as the loss of resources, should be avoided. One method that can assess the performance of systems to concentrate or avoid dilution of resources is Statistical Entropy Analysis (SEA). Up till now, the method has been applied on the substance level (elements and compounds) only, but showed its applicability to various scales and a variety of systems. Further development of the method allowed to consider information on the product, component and material levels, which makes the method applicable to different combinations of CE strategies, both destructive (e.g. recycling) and non-destructive (e.g. reuse). The method is demonstrated on a simplified vehicle life-cycle, which is modeled through four component groups and six materials. It shows that the method allows to evaluate different CE strategies and identify critical stages which lead to the most severe resource and functionality losses. Based on the methods results, it is possible to determine a perfect circularity reference level, representing a system state that preserves functionality and avoids resource losses. The introduction of a circularity reference level enables the establishment of a framework for resource effectiveness in which diluting and concentrating effects of activities (e.g. sorting) are quantified. The distance of a system to an ideal circular state determines the deviation from a resource-effective system that maintains the original product functionality over a maximum period of time, with minimal efforts. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000569610400032 |
Publication Date |
2020-06-20 |
|
| |
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 |
13.2 |
Times cited |
|
Open Access |
|
|
| |
Notes |
; The authors would like to acknowledge the support of Prof. David Laner for his valuable inputs, as well as the financial support of Vito (Flemish Institute for Technological Research) and Altstoff Recycling Austria AG (ARA). ; |
Approved |
Most recent IF: 13.2; 2020 IF: 3.313 |
|
| |
Call Number |
UA @ admin @ c:irua:171925 |
Serial |
6512 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Li, J.; Zhu, W.; Dong, H.; Yang, Z.; Zhang, P.; Qiang, Z. |
|
| |
Title |
Impact of carrier on ammonia and organics removal from zero-discharge marine recirculating aquaculture system with sequencing batch biofilm reactor (SBBR) |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Environmental Science And Pollution Research |
Abbreviated Journal |
Environ Sci Pollut R |
|
| |
Volume |
27 |
Issue |
28 |
Pages |
34614-34623 |
|
| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
Abstract |
Marine recirculating aquaculture system (MRAS) is an effective technology that provides sustainable farming of food fish globally. However, dissolved organics material (chemical oxygen demand, COD) and especially ammonia are produced from uneaten feed and metabolic wastes of fish. To purify the MRAS water, this study adopted a sequencing biofilm batch reactor (SBBR) and comparatively investigated the performances of four different carriers on ammonia and COD removal. Results indicated that the NH4+-N removal rates were 0.045 +/- 0.05, 0.065 +/- 0.008, 0.089 +/- 0.005, and 0.093 +/- 0.003 kg/(m(3)center dot d), and the COD removal rates were 0.019 +/- 0.010, 0.213 +/- 0.010, 0.255 +/- 0.015, and 0.322 +/- 0.010 kg/(m(3)center dot d) in the SBBRs packed with porous plastic, bamboo ring, maifan stone, and ceramsite carriers, respectively. Among the four carriers, ceramsite exhibited the best performance for both NH4+-N (80%) and COD (33%) removal after the SBBR reached the steady-state operation conditions. For all carriers studied, the NH4+-N removal kinetics could be well simulated by the first-order model, and the NH4+-N and COD removal rates were logarithmically correlated with the carrier's specific surface area. Due to its high ammonia removal, stable performance and easy operation, the ceramsite-packed SBBR is feasible for MRAS water treatment. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000565020300005 |
Publication Date |
2019-04-02 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0944-1344; 1614-7499 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.8 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 5.8; 2020 IF: 2.741 |
|
| |
Call Number |
UA @ admin @ c:irua:171932 |
Serial |
6542 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bafekry, A.; Nguyen, C.; Obeid, M.M.; Ghergherehchi, M. |
|
| |
Title |
Modulating the electro-optical properties of doped C₃N monolayers and graphene bilayersviamechanical strain and pressure |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
New Journal Of Chemistry |
Abbreviated Journal |
New J Chem |
|
| |
Volume |
44 |
Issue |
36 |
Pages |
15785-15792 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
In this work, we investigated systematically the electronic and optical properties of B doped C3N monolayers as well as B and N doped graphene bilayers (BN-Gr@2L). We found that the doping of B atoms leads to an enlarged band gap of the C3N monolayer and when the dopant concentration reaches 12.5%, an indirect-to-direct band gap switching occurs. In addition, with co-doping of B and N atoms on the graphene monolayer in the hexagonal configuration, an electronic transition from semi-metal to semiconductor occurs. Our optical results for B-C3N show a broad absorption spectrum in a wide visible range starting from 400 nm to 1000 nm with strong absorption intensity, making it a suitable candidate for nanoelectronic and optoelectronic applications. Interestingly, a transition from semi-metal to semiconductor emerges in the graphene monolayer with doping of B and N atoms. Furthermore, our results demonstrate that the in-plane strain and out-of-plane strain (pressure) can modulate the band gap of the BN-Gr@2L. The controllable electronic properties and optical features of the doped graphene bilayer by strain engineering may facilitate their practical performance for various applications in future. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000571972400054 |
Publication Date |
2020-08-18 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1144-0546 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.3 |
Times cited |
7 |
Open Access |
|
|
| |
Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: 3.3; 2020 IF: 3.269 |
|
| |
Call Number |
UA @ admin @ c:irua:171936 |
Serial |
6561 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bigiani, L.; Gasparotto, A.; Andreu, T.; Verbeeck, J.; Sada, C.; Modin, E.; Lebedev, O.I.; Morante, J.R.; Barreca, D.; Maccato, C. |
|
| |
Title |
Au-manganese oxide nanostructures by a plasma-assisted process as electrocatalysts for oxygen evolution : a chemico-physical investigation |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Advanced sustainable systems |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
2000177-11 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Earth-abundant and eco-friendly manganese oxides are promising platforms for the oxygen evolution reaction (OER) in water electrolysis. Herein, a versatile and potentially scalable route to gold-decorated manganese oxide-based OER electrocatalysts is reported. In particular, MnxOy(MnO2, Mn2O3) host matrices are grown on conductive glasses by plasma assisted-chemical vapor deposition (PA-CVD), and subsequently functionalized with gold nanoparticles (guest) as OER activators by radio frequency (RF)-sputtering. The final selective obtainment of MnO2- or Mn2O3-based systems is then enabled by annealing under oxidizing or inert atmosphere, respectively. A detailed material characterization evidences the formation of high-purity Mn(x)O(y)dendritic nanostructures with an open morphology and an efficient guest dispersion into the host matrices. The tailoring of Mn(x)O(y)phase composition and host-guest interactions has a remarkable influence on OER activity yielding, for the best performing Au/Mn(2)O(3)system, a current density of approximate to 5 mA cm(-2)at 1.65 V versus the reversible hydrogen electrode (RHE) and an overpotential close to 300 mV at 1 mA cm(-2). Such results, comparing favorably with literature data on manganese oxide-based materials, highlight the importance of compositional control, as well as of surface and interface engineering, to develop low-cost and efficient anode nanocatalysts for water splitting applications. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000572376000001 |
Publication Date |
2020-09-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2366-7486 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.1 |
Times cited |
4 |
Open Access |
Not_Open_Access |
|
| |
Notes |
; Padova University (DOR 2017-2019 and P-DiSC #03BIRD2018-UNIPD OXYGENA projects), as well as the INSTM Consortium (INSTMPD004 – NETTUNO project) and AMGA Foundation (Mn4Energy project), are gratefully acknowledged for financial support. The Qu-Ant-EM microscope was partially funded by the Hercules fund from the Flemish Government. J.V. acknowledges funding from a GOA project “Solarpaint” from the University of Antwerp and from EU H2020 823717 ESTEEM3 project. The authors thank Dr. Daniele Valbusa, Dr. Gianluca Corr, Dr. Andrea Gallo, and Dr. Dileep Khrishnan for helpful experimental assistance. ; esteem3TA; esteem3reported |
Approved |
Most recent IF: 7.1; 2020 IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:171937 |
Serial |
6457 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Wang, H.S.; Chen, L.; Elibol, K.; He, L.; Wang, H.; Chen, C.; Jiang, C.; Li, C.; Wu, T.; Cong, C.X.; Pennycook, T.J.; Argentero, G.; Zhang, D.; Watanabe, K.; Taniguchi, T.; Wei, W.; Yuan, Q.; Meyer, J.C.; Xie, X. |
|
| |
Title |
Towards chirality control of graphene nanoribbons embedded in hexagonal boron nitride |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Nature Materials |
Abbreviated Journal |
Nat Mater |
|
| |
Volume |
|
Issue |
|
Pages |
1-10 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Oriented trenches are created in h-BN using different catalysts, and used as templates to grow seamlessly integrated armchair and zigzag graphene nanoribbons with chirality-dependent electrical and magnetic conductance properties. The integrated in-plane growth of graphene nanoribbons (GNRs) and hexagonal boron nitride (h-BN) could provide a promising route to achieve integrated circuitry of atomic thickness. However, fabrication of edge-specific GNRs in the lattice of h-BN still remains a significant challenge. Here we developed a two-step growth method and successfully achieved sub-5-nm-wide zigzag and armchair GNRs embedded in h-BN. Further transport measurements reveal that the sub-7-nm-wide zigzag GNRs exhibit openings of the bandgap inversely proportional to their width, while narrow armchair GNRs exhibit some fluctuation in the bandgap-width relationship. An obvious conductance peak is observed in the transfer curves of 8- to 10-nm-wide zigzag GNRs, while it is absent in most armchair GNRs. Zigzag GNRs exhibit a small magnetic conductance, while armchair GNRs have much higher magnetic conductance values. This integrated lateral growth of edge-specific GNRs in h-BN provides a promising route to achieve intricate nanoscale circuits. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000571692500001 |
Publication Date |
2020-09-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1476-1122; 1476-4660 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
41.2 |
Times cited |
3 |
Open Access |
Not_Open_Access |
|
| |
Notes |
; H.W. and X.X. thank J.H. Edgar (Kansas State University, USA) for supplying the partial h-BN crystals. H. S. Wang, L. Chen and H. Wang thank M. Liu, X. Qiu and J. Pan from NCNT of China, F. Liou, H. Tsai, M. Crommie from UCB, USA, J. Xue and P. Yu from ShanghaiTech University and S. Wang from SJTU for nc-AFM measurement. H. S. Wang, L. Chen and H. Wang thank B. Sun and S. Li from Hunan University for the fusion of the STEM image and the electron energy loss spectroscopy mapping images. Funding: The work was partially supported by the National Key R&D program (Grant No. 2017YFF0206106), the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB30000000), the National Science Foundation of China (Grant No. 51772317, 51302096, 61774040, 91964102), the Science and Technology Commission of Shanghai Municipality (Grant No. 16ZR1442700, 16ZR1402500 18511110700), Shanghai Rising-Star Program (A type) (Grant No.18QA1404800), the Hubei Provincial Natural Science Foundation of China (Grant No. ZRMS2017000370), China Postdoctoral Science Foundation (Grant No. 2017M621563, 2018T110415), and the Fundamental Research Funds of Wuhan City (No. 2016060101010075). C.L. acknowledges support from the European Union's Horizon 2020 research and innovation programme under the Marie Skodowska-Curie grants No. 656378 – Interfacial Reactions. T.J.P. acknowledges funding from European Union's Horizon 2020 Research and Innovation Programme under the Marie Sklodowska-Curie grant agreement no. 655760-DIGIPHASE. K.W. and T.T. acknowledge support from the Elemental Strategy Initiative conducted by the MEXT, Japan and the CREST (JPMJCR15F3), JST. C.X.C. acknowledges financial support from the National Young 1000 Talent Plan of China and the National Key R&D Program of China (No. 2018YFA0703700). L.H. acknowledges financial support from the programme of China Scholarships Council (No. 201706160037). ; |
Approved |
Most recent IF: 41.2; 2020 IF: 39.737 |
|
| |
Call Number |
UA @ admin @ c:irua:171944 |
Serial |
6633 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bafekry, A.; Van Nguyen, C.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. |
|
| |
Title |
Oxygen vacancies in the single layer of Ti₂CO₂ MXene: effects of gating voltage, mechanical strain, and atomic impurities |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physica Status Solidi B-Basic Solid State Physics |
Abbreviated Journal |
Phys Status Solidi B |
|
| |
Volume |
|
Issue |
|
Pages |
2000343-2000349 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Herein, using first-principles calculations the structural and electronic properties of the Ti(2)CO(2)MXene monolayer with and without oxygen vacancies are systematically investigated with different defect concentrations and patterns, including partial, linear, local, and hexagonal types. The Ti(2)CO(2)monolayer is found to be a semiconductor with a bandgap of 0.35 eV. The introduction of oxygen vacancies tends to increase the bandgap and leads to electronic phase transitions from nonmagnetic semiconductors to half-metals. Moreover, the semiconducting characteristic of O-vacancy Ti(2)CO(2)can be adjusted via electric fields, strain, and F-atom substitution. In particular, an electric field can be used to alter the nonmagnetic semiconductor of O-vacancy Ti(2)CO(2)into a magnetic one or into a half-metal, whereas the electronic phase transition from a semiconductor to metal can be achieved by applying strain and F-atom substitution. The results provide a useful guide for practical applications of O-vacancy Ti(2)CO(2)monolayers in nanoelectronic and spinstronic nanodevices. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000571060800001 |
Publication Date |
2020-09-04 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1972 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.6 |
Times cited |
|
Open Access |
|
|
| |
Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: 1.6; 2020 IF: 1.674 |
|
| |
Call Number |
UA @ admin @ c:irua:171948 |
Serial |
6576 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bigiani, L.; Gasparotto, A.; Maccato, C.; Sada, C.; Verbeeck, J.; Andreu, T.; Morante, J.R.; Barreca, D. |
|
| |
Title |
Dual improvement of beta-MnO₂ oxygen evolution electrocatalysts via combined substrate control and surface engineering |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Chemcatchem |
Abbreviated Journal |
Chemcatchem |
|
| |
Volume |
|
Issue |
|
Pages |
1-10 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The development of catalysts with high intrinsic activity towards the oxygen evolution reaction (OER) plays a critical role in sustainable energy conversion and storage. Herein, we report on the development of efficient (photo)electrocatalysts based on functionalized MnO(2)systems. Specifically,beta-MnO(2)nanostructures grown by plasma enhanced-chemical vapor deposition on fluorine-doped tin oxide (FTO) or Ni foams were decorated with Co(3)O(4)or Fe(2)O(3)nanoparticles by radio frequency sputtering. Upon functionalization, FTO-supported materials yielded a performance increase with respect to bare MnO2, with current densities at 1.65 Vvs. the reversible hydrogen electrode (RHE) up to 3.0 and 3.5 mA/cm(2)in the dark and under simulated sunlight, respectively. On the other hand, the use of highly porous and conductive Ni foam substrates enabled to maximize cooperative interfacial effects between catalyst components. The best performing Fe2O3/MnO(2)system provided a current density of 17.9 mA/cm(2)at 1.65 Vvs. RHE, an overpotential as low as 390 mV, and a Tafel slope of 69 mV/decade under dark conditions, comparing favorably with IrO(2)and RuO(2)benchmarks. Overall, the control of beta-MnO2/substrate interactions and the simultaneous surface property engineering pave the way to an efficient energy generation from abundant natural resources. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000571229000001 |
Publication Date |
2020-09-18 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1867-3880; 1867-3899 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.5 |
Times cited |
5 |
Open Access |
Not_Open_Access |
|
| |
Notes |
; This work has been financially supported by Padova University DOR 2017-2019, P-DiSC #03BIRD2016-UNIPD and #03BIRD2018-UNIPD projects. A.G. acknowledges AMGA Foundation and INSTM Consortium. J.V. gratefully acknowledges funding from the GOA project “Solarpaint” of the University of Antwerp and the European Union's Horizon 2020 research and innovation programme under grant agreement No 823717-ESTEEM3. ; esteem3TA; esteem3reported |
Approved |
Most recent IF: 4.5; 2020 IF: 4.803 |
|
| |
Call Number |
UA @ admin @ c:irua:171949 |
Serial |
6493 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Annys, S.; Van Passel, S.; Dessein, J.; Ghebreyohannes, T.; Adgo, E.; Nyssen, J. |
|
| |
Title |
Small-scale irrigation expansion along the dam-regulated Tekeze River in Northern Ethiopia |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
International Journal Of Water Resources Development |
Abbreviated Journal |
Int J Water Resour D |
|
| |
Volume |
|
Issue |
|
Pages |
1-22 |
|
| |
Keywords |
A1 Journal article; Engineering Management (ENM) |
|
| |
Abstract |
Based on extensive field information, farmer-led small-scale irrigation systems along the dam-regulated Tekeze River is investigated and the likelihood of future irrigation expansion within the area with modelled potential is discussed, considering facilitating and hampering factors. Due to dam-induced hydrologic alterations, downstream socio-ecological systems have strongly transformed as the irrigated area has quadrupled and the post-dam potential for perennial crop cultivation has attracted numerous migrant investors to the area, inducing inequalities but also providing opportunities. Future dam construction should involve tailored policy interventions to facilitate irrigation expansion, while safeguarding equal and sustainable access to water and land. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000569995600001 |
Publication Date |
2020-09-16 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0790-0627 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.1 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.1; 2020 IF: 2.088 |
|
| |
Call Number |
UA @ admin @ c:irua:171952 |
Serial |
6943 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Cautaerts, N.; Delville, R.; Stergar, E.; Pakarinen, J.; Verwerft, M.; Yang, Y.; Hofer, C.; Schnitzer, R.; Lamm, S.; Felfer, P.; Schryvers, D. |
|
| |
Title |
The role of Ti and TiC nanoprecipitates in radiation resistant austenitic steel: A nanoscale study |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Acta Materialia |
Abbreviated Journal |
Acta Mater |
|
| |
Volume |
197 |
Issue |
|
Pages |
184-197 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
This work encompasses an in-depth transmission electron microscopy and atom probe tomography study of Ti-stabilized austenitic steel irradiated with Fe-ions. The focus is on radiation induced segregation and precipitation, and in particular on how Ti and TiC affect these processes. A 15-15Ti steel (grade: DIN 1.4970) in two thermo-mechanical states (cold-worked and aged) was irradiated at different temperatures up to a dose of 40 dpa. At low irradiation temperatures, the cold-worked and aged materials evolved to a similar microstructure dominated by small Si and Ni clusters, corresponding to segregation to small point defect clusters. TiC precipitates, initially present in the aged material, were found to be unstable under these irradiation conditions. Elevated irradiation temperatures resulted in the nucleation of nanometer sized Cr enriched TiC precipitates surrounded by Si and Ni enriched shells. In addition, nanometer sized Ti- and Mn-enriched G-phase (M6Ni16Si7) precipitates formed, often attached to TiC precipitates. Post irradiation, larger number densities of TiC were observed in the cold-worked material compared to the aged material. This was correlated with a lower volume fraction of G-phase. The findings suggest that at elevated irradiation temperatures, the precipitate-matrix interface is an important point defect sink and contributes to the improved radiation resistance of this material. The study is a first of its kind on stabilized steel and demonstrates the significance of the small Ti addition to the evolution of the microstructure under irradiation. (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000564767000001 |
Publication Date |
2020-07-10 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1359-6454 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
9.4 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
; This work was supported by ENGIE [contract number 2015-AC-007 e BSUEZ6900]; the U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office Contract DE-AC07051D14517 as part of a Nuclear Science User Facilities experiment; and by the MYRRHA program at SCK-CEN, Belgium. Funding of the Austrian BMK (846933) in the framework of the program “Production of the future” and the “BMK Professorship for Industry” is gratefully acknowledged. We want to thank the staffat MIBL for assisting with the ion irradiations as well as the staffat CAES for assisting with FIB work and conducting APT measurements. ; |
Approved |
Most recent IF: 9.4; 2020 IF: 5.301 |
|
| |
Call Number |
UA @ admin @ c:irua:171956 |
Serial |
6626 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Leishman, A.W.D.; Menezes, R.M.; Longbons, G.; Bauer, E.D.; Janoschek, M.; Honecker, D.; DeBeer-Schmitt, L.; White, J.S.; Sokolova, A.; Milošević, M.V.; Eskildsen, M.R. |
|
| |
Title |
Topological energy barrier for skyrmion lattice formation in MnSi |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
102 |
Issue |
10 |
Pages |
104416-104419 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We report the direct measurement of the topological skyrmion energy barrier through a hysteresis of the skyrmion lattice in the chiral magnet MnSi. Measurements were made using small-angle neutron scattering with a custom-built resistive coil to allow for high-precision minor hysteresis loops. The experimental data were analyzed using an adapted Preisach model to quantify the energy barrier for skyrmion formation and corroborated by the minimum-energy path analysis based on atomistic spin simulations. We reveal that the skyrmion lattice in MnSi forms from the conical phase progressively in small domains, each of which consisting of hundreds of skyrmions, and with an activation barrier of several eV. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000568994800005 |
Publication Date |
2020-09-14 |
|
| |
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 |
3.7 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Award No. DE-SC0005051 (A.W.D.L., G.L., M.R.E.), the Research Foundation -Flanders (FWO-Vlaanderen) (R.M.M., M.V.M.), and Brazilian Agencies FACEPE, CAPES and CNPq (R.M.M.). M.J. was supported by the LANL Directed Research and Development (LDRD) program via the Directed Research (DR) project “A New Approach to Mesoscale Functionality: Emergent Tunable Superlattices (20150082DR).” E.D.B. was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering, under project “Quantum Fluctuations in Narrow-Band Systems.” A portion of this research used resources at the High Flux Isotope Reactor, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. Part of this work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institute, Villigen, Switzerland. We acknowledge useful conversations with E. Louden, D. Green, and A. Francisco in preparation for these experiments, as well as the assistance of K. Avers, G. Taufer, M. Harrington, M. Bartkowiak, and C. Baldwin in completing them. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
|
| |
Call Number |
UA @ admin @ c:irua:171959 |
Serial |
6631 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Asfora, V.K.; Bueno, C.C.; de Barros, V.M.; Khoury, H.; Van Grieken, R. |
|
| |
Title |
X-ray spectrometry applied for characterization of bricks of Brazilian historical sites |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
X-Ray Spectrometry |
Abbreviated Journal |
X-Ray Spectrom |
|
| |
Volume |
|
Issue |
|
Pages |
1-8 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
This paper presents the results of X-ray fluorescence (XRF) analysis of bricks sampled from historical places in Pernambuco, a state in the northeastern region of Brazil. In this study, twenty bricks found in historical sites were analyzed. Two bricks made in the 17th century, presumably used as ballast in ships coming from Holland, five locally manufactured bricks: one from 18th century, three from 19th century, and one from 20th century, and thirteen bricks collected from a recent Archeological investigation of Alto da Se, in the town of Olinda. Qualitative determination of the chemical elements present in the samples was undertaken using a self-assembled portable XRF system based on a compact X-ray tube and a thermoelectrically cooled Si-PIN photodiode system, both commercially available. X-ray diffraction analysis was also carried out to assess the crystalline mineral phases present in the bricks. The results showed that quartz (SiO2) is the major mineral content in all bricks. Although less expressive in the XRD patterns, mineral phases of illite, kaolinite, anorthite, and rutile are also identified. The trace element distribution patterns of the bricks, determined by the XRF technique, is dominated by Fe and, in decreasing order, by K, Ti, Ca, Mn, Zr, Rb, Sr, Cr, and Y with slight differences among them. Analyses of the chemical compositional features of the bricks, evaluated by principal component analysis of the XRF datasets, allowed the samples to be grouped into five clusters with similar chemical composition. These cluster groups were able to identify both age and manufacturing sites. Dutch bricks prepared with different geological clays compositions were defined. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000568830300001 |
Publication Date |
2020-09-17 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
1.2 |
Times cited |
|
Open Access |
|
|
| |
Notes |
; The authors are grateful to CNPQ (Process: 305903/2011-0 and 407458/2013-1) for providing funds to carry out the present work and for supporting a visitor professor to UFPE through the program science without frontier. The authors also thank Mr. Roberto Araujo from the Center of Advanced Studies on Integrated Environmental Protection-CECI that made available the bricks to be analyzed. ; |
Approved |
Most recent IF: 1.2; 2020 IF: 1.298 |
|
| |
Call Number |
UA @ admin @ c:irua:171960 |
Serial |
6654 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Pourbabak, S.; Orekhov, A.; Schryvers, D. |
|
| |
Title |
Twin-jet electropolishing for damage-free transmission electron microscopy specimen preparation of metallic microwires |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Microscopy Research And Technique |
Abbreviated Journal |
Microsc Res Techniq |
|
| |
Volume |
|
Issue |
|
Pages |
1-7 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
A method to prepare TEM specimens from metallic microwires and based on conventional twin-jet electropolishing is introduced. The wire is embedded in an opaque epoxy resin medium and the hardened resin is mechanically polished to reveal the wire on both sides. The resin containing wire is then cut into discs of the appropriate size. The obtained embedded wire is electropolished in a conventional twin-jet electropolishing machine until electron transparency in large areas without radiation damage is achieved. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000567944200001 |
Publication Date |
2020-09-28 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1059-910x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.5 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
; Fonds Wetenschappelijk Onderzoek, Grant/Award Number: G.0366.15N ; |
Approved |
Most recent IF: 2.5; 2020 IF: 1.147 |
|
| |
Call Number |
UA @ admin @ c:irua:171969 |
Serial |
6642 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Jin, B.; Zuo, N.; Hu, Z.-Y.; Cui, W.; Wang, R.; Van Tendeloo, G.; Zhou, X.; Zhai, T. |
|
| |
Title |
Excellent excitonic photovoltaic effect in 2D CsPbBr₃/CdS heterostructures |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Advanced Functional Materials |
Abbreviated Journal |
Adv Funct Mater |
|
| |
Volume |
|
Issue |
|
Pages |
2006166-2006168 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
P-n photovoltaic junctions are essential building blocks for optoelectronic devices for energy conversion. However, this photovoltaic efficiency has almost reached its theoretical limit. Here, a brand-new excitonic photovoltaic effect in 2D CsPbBr3/CdS heterostructures is revealed. These heterostructures, synthesized by epitaxial growth, display a clean interface and a strong interlayer coupling. The excitonic photovoltaic effect is a function of both the built-in equilibrium electrical potential energy and the chemical potential energy, which is generated by the significant concentration gradient of electrons and holes at the heterojunction interface. Excitingly, this novel photovoltaic effect results in a large open-circuit voltage of 0.76 V and a high power conversion efficiency of 17.5%. In addition, high photodetection performance, including a high photoswitch ratio (I-light/I-dark) of 10(5)and a fast response rate of 23 mu s are obtained. These findings provide a new platform for photovoltaic applications. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000567829000001 |
Publication Date |
2020-09-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1616-301x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
19 |
Times cited |
1 |
Open Access |
Not_Open_Access |
|
| |
Notes |
; B.J., N.Z., and Z.Y.H. contributed equally to this work. This work was supported by the National Natural Science Foundation of China (Grant No. 21825103 and 51802103), the Hubei Provincial Natural Science Foundation of China (Grant No. 2019CFA002), and the Fundamental Research Funds for the Central University (Grant No. 2019kfyXMBZ018, WUT: 2019III012GX). Here the authors also thank the support from Analytical and Testing Center in HUST and the State Key Laboratory of Silicate Materials for Architectures in WUT. ; |
Approved |
Most recent IF: 19; 2020 IF: 12.124 |
|
| |
Call Number |
UA @ admin @ c:irua:171970 |
Serial |
6514 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bekaert, J.; Sevik, C.; Milošević, M.V. |
|
| |
Title |
First-principles exploration of superconductivity in MXenes |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
| |
Volume |
12 |
Issue |
|
Pages |
17354-17361 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
MXenes are an emerging class of two-dimensional materials, which in their thinnest limit consist of a monolayer of carbon or nitrogen (X) sandwiched between two transition metal (M) layers. We have systematically searched for superconductivity among MXenes for a range of transition metal elements, based on a full first-principles characterization in combination with the Eliashberg formalism. Thus, we identified six superconducting MXenes: three carbides (Mo2C, W2C and Sc2C) and three nitrides (Mo2N, W2N and Ta2N). The highest critical temperature of similar to 16 K is found in Mo2N, for which a successful synthesis method has been established [Urbankowskiet al.,Nanoscale, 2017,9, 17722-17730]. Moreover, W2N presents a novel case of competing superconducting and charge density wave phases. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000563481700017 |
Publication Date |
2020-08-07 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.7 |
Times cited |
15 |
Open Access |
|
|
| |
Notes |
; This work is supported by The Scientific and Technological Research Council of Turkey (TUBITAK) under the contract number COST-118F187, the Air Force Office of Scientific Research under award number FA9550-19-1-7048, by Research Foundation-Flanders (FWO) and the University of Antwerp (BOF). The collaboration was fostered by COST action NANOCOHYBRI (CA16218). Computational resources were provided by the High Performance and Grid Computing Center (TRGrid e-Infrastructure) of TUBITAK ULAKBIM, the National Center for High Performance Computing (UHeM) of Istanbul Technical University, and by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI. J. B. acknowledges support of a postdoctoral fellowship of the FWO. ; |
Approved |
Most recent IF: 6.7; 2020 IF: 7.367 |
|
| |
Call Number |
UA @ admin @ c:irua:171988 |
Serial |
6521 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bigiani, L.; Andreu, T.; Maccato, C.; Fois, E.; Gasparotto, A.; Sada, C.; Tabacchi, G.; Krishnan, D.; Verbeeck, J.; Ramon Morante, J.; Barreca, D. |
|
| |
Title |
Engineering Au/MnO₂ hierarchical nanoarchitectures for ethanol electrochemical valorization |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Materials Chemistry A |
Abbreviated Journal |
J Mater Chem A |
|
| |
Volume |
8 |
Issue |
33 |
Pages |
16902-16907 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The design of eco-friendly electrocatalysts for ethanol valorization is an open challenge towards sustainable hydrogen production. Herein we present an original fabrication route to effective electrocatalysts for the ethanol oxidation reaction (EOR). In particular, hierarchical MnO(2)nanostructures are grown on high-area nickel foam scaffolds by a plasma-assisted strategy and functionalized with low amounts of optimally dispersed Au nanoparticles. This strategy leads to catalysts with a unique morphology, designed to enhance reactant-surface contacts and maximize active site utilization. The developed nanoarchitectures show superior performances for ethanol oxidation in alkaline media. We reveal that Au decoration boosts MnO(2)catalytic activity by inducing pre-dissociation and pre-oxidation of the adsorbed ethanol molecules. This evidence validates our strategy as an effective route for the development of green electrocatalysts for efficient electrical-to-chemical energy conversion. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000562931300008 |
Publication Date |
2020-07-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
11.9 |
Times cited |
16 |
Open Access |
OpenAccess |
|
| |
Notes |
; This work was financially supported by Padova University DOR 2016-2019 and P-DiSC #03BIRD2018-UNIPD OXYGENA projects, as well as by the INSTM Consortium (INSTMPD004 – NETTUNO), AMGA Foundation Mn4Energy project and Insubria University FAR2018. J. V. and D. K. acknowledge funding from the Flemish Government (Hercules), GOA project “Solarpaint” (Antwerp University) and European Union's H2020 programme under grant agreement no. 823717 ESTEEM3. The authors are grateful to Dr Gianluca Corr for skillful technical support. ; esteem3TA; esteem3reported |
Approved |
Most recent IF: 11.9; 2020 IF: 8.867 |
|
| |
Call Number |
UA @ admin @ c:irua:171989 |
Serial |
6506 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
van Loon, A.; Noble, P.; de Man, D.; Alfeld, M.; Callewaert, T.; van der Snickt, G.; Janssens, K.; Dik, J. |
|
| |
Title |
The role of smalt in complex pigment mixtures in Rembrandt'sHomer1663: combining MA-XRF imaging, microanalysis, paint reconstructions and OCT |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Heritage science |
Abbreviated Journal |
|
|
| |
Volume |
8 |
Issue |
1 |
Pages |
90-19 |
|
| |
Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
|
| |
Abstract |
As part of the NWO Science4ArtsREVISRembrandtproject (2012-2018), novel chemical imaging techniques were developed and applied to the study of Rembrandt's late experimental painting technique (1651-1669). One of the unique features in his late paintings is his abundant use of smalt: a blue cobalt glass pigment that he often combined with organic lake pigments, earth pigments and blacks. Since most of these smalt-containing paints have discolored over time, we wanted to find out more about how these paintings may have originally looked, and what the role of smalt was in his paint. This paper reports on the use of smalt in complex pigment mixtures in Rembrandt'sHomer(1663), Mauritshuis, The Hague. Macroscopic X-ray fluorescence imaging (MA-XRF) assisted by computational analysis, in combination with SEM-EDX analysis of paint cross-sections, provides new information about the distribution and composition of the smalt paints in the painting. Paint reconstructions were carried out to investigate the effect of different percentages of smalt on the overall color, the drying properties, translucency and texture of the paint. Results show that the influence of (the originally blue) smalt on the intended color of the paint of theHomeris minimal. However, in mixtures with high percentages of smalt, or when combined with more transparent pigments, it was concluded that the smalt did produce a cooler and darker paint. It was also found that the admixture of opaque pigments reduced the translucent character of the smalt. The drying tests show that the paints with (cobalt-containing) smalt dried five times faster compared to those with glass (without cobalt). Most significantly, the texture of the paint was strongly influenced by adding smalt, creating a more irregular surface topography with clearly pronounced brushstrokes. Optical coherence tomography (OCT) was used as an additional tool to reveal differences in translucency and texture between the different paint reconstructions. In conclusion, this study confirmed earlier assumptions that Rembrandt used substantial amounts of smalt in his late paintings, not for its blue color, but to give volume and texture to his paints, to deepen their colors and to make them dry faster. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000565893700001 |
Publication Date |
2020-09-04 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2050-7445 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.5 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.5; 2020 IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:171995 |
Serial |
8659 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Ghorbanfekr, H.; Behler, J.; Peeters, F.M. |
|
| |
Title |
Insights into water permeation through hBN nanocapillaries by ab initio machine learning molecular dynamics simulations |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Physical Chemistry Letters |
Abbreviated Journal |
J Phys Chem Lett |
|
| |
Volume |
11 |
Issue |
17 |
Pages |
7363-7370 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Water permeation between stacked layers of hBN sheets forming 2D nanochannels is investigated using large-scale ab initio-quality molecular dynamics simulations. A high-dimensional neural network potential trained on density-functional theory calculations is employed. We simulate water in van der Waals nanocapillaries and study the impact of nanometric confinement on the structure and dynamics of water using both equilibrium and nonequilibrium methods. At an interlayer distance of 10.2 A confinement induces a first-order phase transition resulting in a well-defined AA-stacked bilayer of hexagonal ice. In contrast, for h < 9 A, the 2D water monolayer consists of a mixture of different locally ordered patterns of squares, pentagons, and hexagons. We found a significant change in the transport properties of confined water, particularly for monolayer water where the water-solid friction coefficient decreases to half and the diffusion coefficient increases by a factor of 4 as compared to bulk water. Accordingly, the slip-velocity is found to increase under confinement and we found that the overall permeation is dominated by monolayer water adjacent to the hBN membranes at extreme confinements. We conclude that monolayer water in addition to bilayer ice has a major contribution to water transport through 2D nanochannels. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000569375400061 |
Publication Date |
2020-08-10 |
|
| |
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 |
5.7 |
Times cited |
24 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program (Grant Number: G099219N). The authors thank Arham Amouei for the helpful discussion regarding MD simulations. ; |
Approved |
Most recent IF: 5.7; 2020 IF: 9.353 |
|
| |
Call Number |
UA @ admin @ c:irua:171996 |
Serial |
6546 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Annys, S.; Van Passel, S.; Dessein, J.; Adgo, E.; Nyssen, J. |
|
| |
Title |
From fast-track implementation to livelihood deterioration: The dam-based Ribb Irrigation and Drainage Project in Northwest Ethiopia |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Agricultural Systems |
Abbreviated Journal |
Agr Syst |
|
| |
Volume |
184 |
Issue |
|
Pages |
102909-102913 |
|
| |
Keywords |
A1 Journal article; Engineering Management (ENM) |
|
| |
Abstract |
The 21st century revival of large-scale water resources development projects makes it important to keep assessing their impacts – preferably from an interdisciplinary perspective – in order to not repeat past mistakes and explore whether they could improve livelihood conditions for rural communities. In this study, costs and benefits of the World Bank-funded Ribb Irrigation and Drainage Project (RIDP) were investigated using a unique systems approach. The impact for farmers with different initial farming systems (rainfed – residual moisture – irrigated) was studied using field observations, document analyses, remote sensing, agronomic data and semi-structured interviews (n = 165). Data on project-induced changes to land and water availability, cropping patterns, farming systems and farm-level economics were collected. The results show that dam and dyke construction has reduced flooding, which has resulted in declining rice productivity ( – 42%) and concomitant shifts to lower value cropping systems. Results also reveal that the land redistribution has caused widespread livelihood deterioration as households had to give up 25% of their farmland and the communal grazing land was fully converted into farmland. Due to top-down implementation, nontransparent communication, delayed construction and lagging financial compensation, social resistance has appeared in the command area, impeding the construction works. In addition to these problems, if no rapid change to higher value crops can be realized, 20.5% of the farmers (those who already irrigate) will experience a loss of livelihood, 64.1% of the farmers (those with rainfed and residual moisture cultivation) will be on the verge of livelihood deterioration and only 13.5% of the farmers (those with solely rainfed cultivation) will enjoy RIDP-induced improved livelihoods. The fate of this project stresses the importance of investigating initial farming systems, exploring worthy project alternatives, improving participation, communication and benefit-sharing and strengthening the institutional capacity of implementing authorities. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000564756600013 |
Publication Date |
2020-08-08 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0308-521x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.6 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 6.6; 2020 IF: 2.571 |
|
| |
Call Number |
UA @ admin @ c:irua:172030 |
Serial |
6927 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Wang, D.; Dasgupta, T.; van der Wee, E.B.; Zanaga, D.; Altantzis, T.; Wu, Y.; Coli, G.M.; Murray, C.B.; Bals, S.; Dijkstra, M.; van Blaaderen, A. |
|
| |
Title |
Binary icosahedral clusters of hard spheres in spherical confinement |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Nature Physics |
Abbreviated Journal |
Nat Phys |
|
| |
Volume |
|
Issue |
|
Pages |
1-9 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
|
| |
Abstract |
The influence of geometry on the local and global packing of particles is important to many fundamental and applied research themes, such as the structure and stability of liquids, crystals and glasses. Here we show by experiments and simulations that a binary mixture of hard-sphere-like nanoparticles crystallizing into a MgZn(2)Laves phase in bulk spontaneously forms icosahedral clusters in slowly drying droplets. Using advanced electron tomography, we are able to obtain the real-space coordinates of all the spheres in the icosahedral clusters of up to about 10,000 particles. The local structure of 70-80% of the particles became similar to that of the MgCu(2)Laves phase. These observations are important for photonic applications. In addition, we observed in simulations that the icosahedral clusters nucleated away from the spherical boundary, which is distinctly different from that of the single species clusters. Our findings open the way for particle-level studies of nucleation and growth of icosahedral clusters, and of binary crystallization. The authors investigate out-of-equilibrium crystallization of a binary mixture of sphere-like nanoparticles in small droplets. They observe the spontaneous formation of an icosahedral structure with stable MgCu(2)phases, which are promising for photonic applications. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000564497300002 |
Publication Date |
2020-08-31 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1745-2473; 1745-2481 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
19.6 |
Times cited |
38 |
Open Access |
OpenAccess |
|
| |
Notes |
; D.W., E.B.v.d.W. and A.v.B. acknowledge partial financial support from the European Research Council under the European Union's Seventh Framework Programme (FP-2007-2013)/ERC Advanced Grant Agreement 291667 HierarSACol. T.D. and M. D. acknowledge financial support from the Industrial Partnership Programme, 'Computational Sciences for Energy Research' (grant number 13CSER025), of the Netherlands Organization for Scientific Research (NWO), which was co-financed by Shell Global Solutions International BV G.M.C. was also financially supported by NWO. S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO. T.A. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). C.B.M. and Y.W. acknowledge support for materials synthesis from the Office of Naval Research Multidisciplinary University Research Initiative Award ONR N00014-18-1-2497. G. A. Blab is gratefully acknowledged for 3D printing numerous truncated tetrahedra, which increased our understanding of the connection between the binary icosahedral cluster and Laves phase structures. N. Tasios is sincerely thanked for providing the code for the diffraction pattern calculation. M. Hermes is sincerely thanked for providing interactive views of the structures in this work. We thank G. van Tendeloo, M. Engel, J. Wang, S. Dussi, L. Filion, E. Boattini, S. Paliwal, N. Tasios, B. van der Meer, I. Lobato, J. Wu and L. Laurens for fruitful discussions. We acknowledge the EM Square centre at Utrecht University for the access to the microscopes. ; sygma |
Approved |
Most recent IF: 19.6; 2020 IF: 22.806 |
|
| |
Call Number |
UA @ admin @ c:irua:172044 |
Serial |
6460 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bafekry, A.; Shojaei, F.; Obeid, M.M.; Ghergherehchi, M.; Nguyen, C.; Oskouian, M. |
|
| |
Title |
Two-dimensional silicon bismotide (SiBi) monolayer with a honeycomb-like lattice: first-principles study of tuning the electronic properties |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Rsc Advances |
Abbreviated Journal |
Rsc Adv |
|
| |
Volume |
10 |
Issue |
53 |
Pages |
31894-31900 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Using density functional theory, we investigate a novel two-dimensional silicon bismotide (SiBi) that has a layered GaSe-like crystal structure.Ab initiomolecular dynamic simulations and phonon dispersion calculations suggest its good thermal and dynamical stability. The SiBi monolayer is a semiconductor with a narrow indirect bandgap of 0.4 eV. Our results show that the indirect bandgap decreases as the number of layers increases, and when the number of layers is more than six layers, direct-to-indirect bandgap switching occurs. The SiBi bilayer is found to be very sensitive to an E-field. The bandgap monotonically decreases in response to uniaxial and biaxial compressive strain, and reaches 0.2 eV at 5%, while at 6%, the semiconductor becomes a metal. For both uniaxial and biaxial tensile strains, the material remains a semiconductor and indirect-to-direct bandgap transition occurs at a strain of 3%. Compared to a SiBi monolayer with a layer thickness of 4.89 angstrom, the bandgap decreases with either increasing or decreasing layer thickness, and at a thicknesses of 4.59 to 5.01 angstrom, the semiconductor-to-metal transition happens. In addition, under pressure, the semiconducting character of the SiBi bilayer with a 0.25 eV direct bandgap is preserved. Our results demonstrate that the SiBi nanosheet is a promising candidate for designing high-speed low-dissipation devices. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000565206400027 |
Publication Date |
2020-09-02 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2046-2069 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.9 |
Times cited |
8 |
Open Access |
|
|
| |
Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant, funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: 3.9; 2020 IF: 3.108 |
|
| |
Call Number |
UA @ admin @ c:irua:172045 |
Serial |
6644 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Van der Donck, M.; Conti, S.; Perali, A.; Hamilton, A.R.; Partoens, B.; Peeters, F.M.; Neilson, D. |
|
| |
Title |
Three-dimensional electron-hole superfluidity in a superlattice close to room temperature |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
102 |
Issue |
6 |
Pages |
060503 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Although there is strong theoretical and experimental evidence for electron-hole superfluidity in separated sheets of electrons and holes at low T, extending superfluidity to high T is limited by strong two-dimensional fluctuations and Kosterlitz-Thouless effects. We show this limitation can be overcome using a superlattice of alternating electron- and hole-doped semiconductor monolayers. The superfluid transition in a three-dimensional superlattice is not topological, and for strong electron-hole pair coupling, the transition temperature T-c can be at room temperature. As a quantitative illustration, we show T-c can reach 270 K for a superfluid in a realistic superlattice of transition metal dichalcogenide monolayers. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000562320700001 |
Publication Date |
2020-08-25 |
|
| |
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 |
3.7 |
Times cited |
5 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for M.V.d.D., by the FLAG-ERA project TRANS-2D-TMD, and by the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics (Project No. CE170100039). We thank Milorad V. Milossevi ' c, Pierbiagio Pieri, and Jacques Tempere for helpful discussions. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
|
| |
Call Number |
UA @ admin @ c:irua:172064 |
Serial |
6628 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Wang, J.; Andelkovic, M.; Wang, G.; Peeters, F.M. |
|
| |
Title |
Molecular collapse in graphene: Sublattice symmetry effect |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
102 |
Issue |
6 |
Pages |
064108-8 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Atomic collapse can be observed in graphene because of its large “effective” fine structure constant, which enables this phenomenon to occur for an impurity charge as low as Z(c) similar to 1-2. Here we investigate the effect of the sublattice symmetry on molecular collapse in two spatially separated charge tunable vacancies, which are located on the same (A-A type) or different (A-B type) sublattices. We find that the broken sublattice symmetry: (1) does not affect the location of the main bonding and antibonding molecular collapse peaks, (2) but shifts the position of the satellite peaks, because they are a consequence of the breaking of the local sublattice symmetry, and (3) there are vacancy characteristic collapse peaks that only occur for A-B type vacancies, which can be employed to distinguish them experimentally from the A-A type. As the charge, energy, and separation distance increase, the additional collapse features merge with the main molecular collapse peaks. We show that the spatial distribution around the vacancy site of the collapse states allows us to differentiate the molecular from the frustrated collapse. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000562320700002 |
Publication Date |
2020-08-25 |
|
| |
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 |
3.7 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; This work was supported by the National Natural Science Foundation of China (Grants No. 61874038 and No. 61704040), National Key R&D Program Grant 2018YFE0120000, the scholarship from China Scholarship Council (CSC: 201908330548), and TRANS2DTMD FlagEra project. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
|
| |
Call Number |
UA @ admin @ c:irua:172065 |
Serial |
6562 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Chaves, A.; Azadani, J.G.; Alsalman, H.; da Costa, D.R.; Frisenda, R.; Chaves, A.J.; Song, S.H.; Kim, Y.D.; He, D.; Zhou, J.; Castellanos-Gomez, A.; Peeters, F.M.; Liu, Z.; Hinkle, C.L.; Oh, S.-H.; Ye, P.D.; Koester, S.J.; Lee, Y.H.; Avouris, P.; Wang, X.; Low, T. |
|
| |
Title |
Bandgap engineering of two-dimensional semiconductor materials |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
npj 2D Materials and Applications |
Abbreviated Journal |
|
|
| |
Volume |
4 |
Issue |
1 |
Pages |
29-21 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Semiconductors are the basis of many vital technologies such as electronics, computing, communications, optoelectronics, and sensing. Modern semiconductor technology can trace its origins to the invention of the point contact transistor in 1947. This demonstration paved the way for the development of discrete and integrated semiconductor devices and circuits that has helped to build a modern society where semiconductors are ubiquitous components of everyday life. A key property that determines the semiconductor electrical and optical properties is the bandgap. Beyond graphene, recently discovered two-dimensional (2D) materials possess semiconducting bandgaps ranging from the terahertz and mid-infrared in bilayer graphene and black phosphorus, visible in transition metal dichalcogenides, to the ultraviolet in hexagonal boron nitride. In particular, these 2D materials were demonstrated to exhibit highly tunable bandgaps, achieved via the control of layers number, heterostructuring, strain engineering, chemical doping, alloying, intercalation, substrate engineering, as well as an external electric field. We provide a review of the basic physical principles of these various techniques on the engineering of quasi-particle and optical bandgaps, their bandgap tunability, potentials and limitations in practical realization in future 2D device technologies. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000565588500001 |
Publication Date |
2020-08-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2397-7132 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
329 |
Open Access |
|
|
| |
Notes |
; Discussions and interactions with D.R. Reichman, F. Tavazza, N.M.R. Peres, and K. Choudhary are gratefully acknowledged. A.C. acknowledges financial support by CNPq, through the PRONEX/FUNCAP and PQ programs. This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement No. 755655, ERCStG 2017 project 2D-TOPSENSE). Computational support from the Minnesota Supercomputing Institute (MSI) and EU Graphene Flagship funding (Grant Graphene Core 2, 785219) is acknowledged. R.F. acknowledges support from the Netherlands Organization for Scientific Research (NWO) through the research program Rubicon with project number 680-50-1515. D.H., J.Z., and X.W. acknowledge support by National Natural Science Foundation of China 61734003, 61521001, 61704073, 51861145202, and 61851401, and National Key Basic Research Program of China 2015CB921600 and 2018YFB2200500. J.Z. and Z.L. acknowledge support by RG7/18, MOE2017-T2-2-136, MOE2018-T3-1-002, and A*Star QTE program. S.H.S. and Y.H.L. acknowledge the support from IBS-R011-D1. Y.D.K. is supported by Samsung Research and Incubation Funding Center of Samsung Electronics under Project Number SRFC-TB1803-04. S.J.K acknowledges financial support by the National Science Foundation (NSF), under award DMR-1921629. T.L. and J.G.A. acknowledge funding support from NSF/DMREF under Grant Agreement No. 1921629. S.-H.O. acknowledges support from the U.S. National Science Foundation (NSF ECCS 1809723) and Samsung Global Research Outreach (GRO) project. ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:172069 |
Serial |
6459 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bafekry, A.; Shojai, F.; Hoat, D.M.; Shahrokhi, M.; Ghergherehchi, M.; Nguyen, C. |
|
| |
Title |
The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Rsc Advances |
Abbreviated Journal |
Rsc Adv |
|
| |
Volume |
10 |
Issue |
51 |
Pages |
30398-30405 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Herein, by using first-principles calculations, we demonstrate a two-dimensional (2D) of XSb (X = Si, Ge, and Sn) monolayers that have a honey-like crystal structure. The structural, mechanical, electronic, thermoelectric efficiency, and optical properties of XSb monolayers are studied.Ab initiomolecular dynamic simulations and phonon dispersion calculations suggests their good thermal and dynamical stabilities. The mechanical properties of XSb monolayers shows that the monolayers are considerably softer than graphene, and their in-plane stiffness decreases from SiSb to SnSb. Our results shows that the single layers of SiSb, GeSb and SnSb are semiconductor with band gap of 1.48, 0.77 and 0.73 eV, respectively. The optical analysis illustrate that the first absorption peaks of the SiSb, GeSb and SnSb monolayers along the in-plane polarization are located in visible range of light which may serve as a promising candidate to design advanced optoelectronic devices. Thermoelectric properties of the XSb monolayers, including Seebeck coefficient, electrical conductivity, electronic thermal conductivity, power factor and figure of merit are calculated as a function of doping level at temperatures of 300 K and 800 K. Between the studied two-dimensional materials (2DM), SiSb single layer may be the most promising candidate for application in the thermoelectric generators. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000561344000009 |
Publication Date |
2020-08-17 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2046-2069 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.9 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: 3.9; 2020 IF: 3.108 |
|
| |
Call Number |
UA @ admin @ c:irua:172074 |
Serial |
6624 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bafekry, A.; Nguyen, C., V; Goudarzi, A.; Ghergherehchi, M.; Shafieirad, M. |
|
| |
Title |
Investigation of strain and doping on the electronic properties of single layers of C₆N₆ and C₆N₈: a first principles study |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Rsc Advances |
Abbreviated Journal |
Rsc Adv |
|
| |
Volume |
10 |
Issue |
46 |
Pages |
27743-27751 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
In this work, by performing first-principles calculations, we explore the effects of various atom impurities on the electronic and magnetic properties of single layers of C(6)N(6)and C6N8. Our results indicate that atom doping may significantly modify the electronic properties. Surprisingly, doping Cr into a holey site of C(6)N(6)monolayer was found to exhibit a narrow band gap of 125 meV upon compression strain, considering the spin-orbit coupling effect. Also, a C atom doped in C(6)N(8)monolayer shows semi-metal nature under compression strains larger than -2%. Our results propose that Mg or Ca doped into strained C(6)N(6)may exhibit small band gaps in the range of 10-30 meV. In addition, a magnetic-to-nonmagnetic phase transition can occur under large tensile strains in the Ca doped C(6)N(8)monolayer. Our results highlight the electronic properties and magnetism of C(6)N(6)and C(6)N(8)monolayers. Our results show that the electronic properties can be effectively modified by atom doping and mechanical strain, thereby offering new possibilities to tailor the electronic and magnetic properties of C(6)N(6)and C(6)N(8)carbon nitride monolayers. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000553911800053 |
Publication Date |
2020-07-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2046-2069 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.9 |
Times cited |
11 |
Open Access |
|
|
| |
Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: 3.9; 2020 IF: 3.108 |
|
| |
Call Number |
UA @ admin @ c:irua:172111 |
Serial |
6553 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Thiruvottriyur Shanmugam, S.; Trashin, S.; De Wael, K. |
|
| |
Title |
Gold-sputtered microelectrodes with built-in gold reference and counter electrodes for electrochemical DNA detection |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Analyst |
Abbreviated Journal |
Analyst |
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
Gold-sputtered microelectrodes with built-in gold reference and counter electrodes represent a promising platform for the development of disposable DNA sensors. Pretreating gold electrode surfaces and immobilization of DNA thereon is commonly employed in biosensing applications. However, with no scientific or practical guidelines to prepare a DNA sensor using these miniature gold-sputtered microelectrodes, cleaning and immobilization steps need to be systematically optimized and updated. In this work, we present efficient cleaning and modification of miniaturized gold-sputtered microelectrodes with thiolated DNA probes for DNA detection. Additional discussions on subtleties and nuances involved at each stage of pretreating and modifying gold-sputtered microelectrodes are included to present a robust, well-founded protocol. It was evident that the insights on cleaning polycrystalline gold disk electrodes with a benchmark electrode surface for DNA sensors, cannot be transferred to clean these miniature gold-sputtered microelectrodes. Therefore, a comparison between five different cleaning protocols was made to find the optimal one for gold-sputtered microelectrodes. Additionally, two principally different immobilization techniques for gold-sputtered microelectrode modification with thiolated ssDNA were compared i.e., immobilization through passive chemisorption and potential perturbation were compared in terms of thiol-specific attachment and thiol-unspecific adsorption through nitrogenous bases. The hybridization performance of these prepared electrodes was characterized by their sensitive complementary DNA capturing ability, detected by a standard alkaline phosphatase assay. Immobilization through passive chemisorption proved to be efficient in capturing the complementary target DNA with a detection limit of 0.14 nM and sensitivity of 9.38 A M−1 cm2. In general, this work presents a comprehensive understanding of cleaning, modification and performance of gold-sputtered microelectrodes with built-in gold reference and counter electrodes for both fundamental investigations and practical DNA sensing applications. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000592315100017 |
Publication Date |
2020-09-17 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-2654 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.2 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 4.2; 2020 IF: 3.885 |
|
| |
Call Number |
UA @ admin @ c:irua:172447 |
Serial |
6527 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Moro, G.; Bottari, F.; Liberi, S.; Covaceuszach, S.; Cassetta, A.; Angelini, A.; De Wael, K.; Moretto, L.M. |
|
| |
Title |
Covalent immobilization of delipidated human serum albumin on poly(pyrrole-2-carboxylic) acid film for the impedimetric detection of perfluorooctanoic acid |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Bioelectrochemistry |
Abbreviated Journal |
Bioelectrochemistry |
|
| |
Volume |
134 |
Issue |
|
Pages |
107540 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
The immobilization of biomolecules at screen printed electrodes for biosensing applications is still an open challenge. To enrich the toolbox of bioelectrochemists, graphite screen printed electrodes (G-SPE) were modified with an electropolymerized film of pyrrole-2-carboxilic acid (Py-2-COOH), a pyrrole derivative rich in carboxylic acid functional groups. These functionalities are suitable for the covalent immobilization of biomolecular recognition layers. The electropolymerization was first optimized to obtain stable and conductive polymeric films, comparing two different electrolytes: sodium dodecyl sulphate (SDS) and sodium perchlorate. The G-SPE modified with Py-2-COOH in 0.1 M SDS solution showed the required properties and were further tested. A proof-of-concept study for the development of an impedimetric sensor for perfluorooctanoic acid (PFOA) was carried out using the delipidated human serum albumin (hSA) as bioreceptor. The data interpretation was supported by size exclusion chromatography and small-angle X-ray scattering (SEC-SAXS) analysis of the bioreceptor-target complex and the preliminary results suggest the possibility to further develop this biosensing strategy for toxicological and analytical studies. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000579727300004 |
Publication Date |
2020-04-27 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1567-5394 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 5; 2020 IF: 3.346 |
|
| |
Call Number |
UA @ admin @ c:irua:172494 |
Serial |
6477 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Rocha Segundo, I.; Landi Jr., S.; Margaritis, A.; Pipintakos, G.; Freitas, E.; Vuye, C.; Blom, J.; Tytgat, T.; Denys, S.; Carneiro, J. |
|
| |
Title |
Physicochemical and rheological properties of a transparent asphalt binder modified with nano-TiO₂ |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
|
| |
Volume |
10 |
Issue |
11 |
Pages |
2152 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings (EMIB) |
|
| |
Abstract |
Transparent binder is used to substitute conventional black asphalt binder and to provide light-colored pavements, whereas nano-TiO2 has the potential to promote photocatalytic and self-cleaning properties. Together, these materials provide multifunction effects and benefits when the pavement is submitted to high solar irradiation. This paper analyzes the physicochemical and rheological properties of a transparent binder modified with 0.5%, 3.0%, 6.0%, and 10.0% nano-TiO2 and compares it to the transparent base binder and conventional and polymer modified binders (PMB) without nano-TiO2. Their penetration, softening point, dynamic viscosity, master curve, black diagram, Linear Amplitude Sweep (LAS), Multiple Stress Creep Recovery (MSCR), and Fourier Transform Infrared Spectroscopy (FTIR) were obtained. The transparent binders (base and modified) seem to be workable considering their viscosity, and exhibited values between the conventional binder and PMB with respect to rutting resistance, penetration, and softening point. They showed similar behavior to the PMB, demonstrating signs of polymer modification. The addition of TiO2 seemed to reduce fatigue life, except for the 0.5% content. Nevertheless, its addition in high contents increased the rutting resistance. The TiO2 modification seems to have little effect on the chemical functional indices. The best percentage of TiO2 was 0.5%, with respect to fatigue, and 10.0% with respect to permanent deformation. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000593731700001 |
Publication Date |
2020-10-29 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2079-4991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.3 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 5.3; 2020 IF: 3.553 |
|
| |
Call Number |
UA @ admin @ c:irua:172621 |
Serial |
6580 |
|
| Permanent link to this record |
