| Records |
| Author |
Vohra, A.; Khanam, A.; Slotte, J.; Makkonen, I.; Pourtois, G.; Porret, C.; Loo, R.; Vandervorst, W. |
| Title |
Heavily phosphorus doped germanium : strong interaction of phosphorus with vacancies and impact of tin alloying on doping activation |
Type |
A1 Journal article |
Year  |
2019 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
125 |
Issue |
22 |
Pages |
225703 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We examined the vacancy trapping proficiency of Sn and P atoms in germanium using positron annihilation spectroscopy measurements, sensitive to the open-volume defects. Epitaxial Ge1 xSnx films were grown by chemical vapor deposition with different P concentrations in the 3: 0 1019-1: 5 1020 cm 3 range. We corroborate our findings with first principles simulations. Codoping of Ge with a Sn concentration of up to 9% is not an efficient method to suppress the free vacancy concentration and the formation of larger phosphorus-vacancy complexes. Experimental results confirm an increase in the number of P atoms around the monovacancy with P-doping, leading to dopant deactivation in epitaxial germanium-tin layers with similar Sn content. Vice versa, no impact on the improvement of maximum achieved P activation in Ge with increasing Sn-doping has been observed. Theoretical calculations also confirm that Pn-V (vacancy) complexes are energetically more stable than the corresponding SnmPn-V and Snm-V defect structures with the same number of alien atoms (Sn or P) around the monovacancy. he strong attraction of vacancies to the phosphorus atoms remains the dominant dopant deactivation mechanism in Ge as well as in Ge1 xSnx. Published under license by AIP Publishing. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000471698600044 |
Publication Date |
2019-06-10 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.068 |
Times cited |
1 |
Open Access |
|
| Notes |
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Approved |
Most recent IF: 2.068 |
| Call Number |
UA @ admin @ c:irua:161333 |
Serial |
6300 |
| Permanent link to this record |
| |
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| |
| Author |
Tan, X.; McCabe, E.E.; Orlandi, F.; Manuel, P.; Batuk, M.; Hadermann, J.; Deng, Z.; Jin, C.; Nowik, I.; Herber, R.; Segre, C.U.; Liu, S.; Croft, M.; Kang, C.-J.; Lapidus, S.; Frank, C.E.; Padmanabhan, H.; Gopalan, V.; Wu, M.; Li, M.-R.; Kotliar, G.; Walker, D.; Greenblatt, M. |
| Title |
MnFe0.5Ru0.5O3 : an above-room-temperature antiferromagnetic semiconductor |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
| Volume |
7 |
Issue |
3 |
Pages |
509-522 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A transition-metal-only MnFe0.5Ru0.5O3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO2, Fe2O3, RuO2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe0.5Ru0.5O3 adopts the corundum (alpha-Fe2O3) structure type with space group R (3) over barc, in which all metal ions are disordered. The centrosymmetric nature of the MnFe0.5Ru0.5O3 structure is corroborated by transmission electron microscopy, lack of optical second harmonic generation, X-ray absorption near edge spectroscopy, and Mossbauer spectroscopy. X-ray absorption near edge spectroscopy of MnFe0.5Ru0.5O3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and similar to 4+, respectively. Resistivity measurements revealed that MnFe0.5Ru0.5O3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe0.5Ru0.5O3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. Fe-57 Mossbauer confirmed the magnetic ordering and Fe3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe0.5Ru0.5O3 and related corundum Mn2BB'O-6 derivatives is discussed. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000458780300004 |
Publication Date |
2018-11-27 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.256 |
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
; M. G. thanks the NSF-DMR-1507252 grant of the United States. X. T. was supported by the “Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy'' under DOE Grant No. DE-FOA-0001276. G. K. and C. J. K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. EEM is grateful to the Leverhulme Trust (RPG-2017-362). M. R. Li and M. X. Wu are supported by the ”One Thousand Youth Talents'' Program of China. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Part of this research used the ISS, 8-ID and TES, 8-BM beamlines at the National Synchrotron Light Source II (NSLS-II), a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. Without the valuable aid/support of the NSLS-II staff scientists Eli Stavitski, Klaus Attenkofer, and Paul Northrup this phase of the work could not have been performed. The work at IOPCAS was supported by NSF & MOST of China through research projects. H. R. and V. G. acknowledge NSF-MRSEC Center for Nanoscale Science at Penn State through the grant number DMR-1420620. The authors would like to thank Ms Jean Hanley at Lamont-Doherty Earth Observatory in Columbia University for making the high-pressure assemblies. The authors acknowledge the science and technology facility council (STFC) UK for the provision of neutron beam time. The authors would like to thank Daniel Nye for help on the Rigaku SmartLab X-ray diffractometer instrument in the Materials Characterization Laboratory at the ISIS Neutron and Muon Source. ; |
Approved |
Most recent IF: 5.256 |
| Call Number |
UA @ admin @ c:irua:157564 |
Serial |
5264 |
| Permanent link to this record |
| |
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| |
| Author |
Ding, L.; Orekhov, A.; Weng, Y.; Jia, Z.; Idrissi, H.; Schryvers, D.; Muraishi, S.; Hao, L.; Liu, Q. |
| Title |
Study of the Q′ (Q)-phase precipitation in Al–Mg–Si–Cu alloys by quantification of atomic-resolution transmission electron microscopy images and atom probe tomography |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Journal of materials science |
Abbreviated Journal |
J Mater Sci |
| Volume |
54 |
Issue |
10 |
Pages |
7943-7952 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The precipitation mechanism of the Q phase in Al-Mg-Si-Cu alloys has long been the subject of ambiguity and debate since its metastable phase (Q 0) has the same crystal structure and similar lattice parameters as its equilibrium counterparts. In the present work, the evolution of the Q 0 (Q) phase during aging is studied by combination of quantitative atomic-resolution scanning transmission electron microscopy and atom probe tomography. It was found that the transformation from the Q 0 to the Q phase involves changes of the occupancy of Al atoms in atomic columns of the Q 0 (Q) phase. The Al atoms incorporated in the Cu, Si and Mg columns are gradually released into the Al matrix, while mixing between Cu and Si atoms occurs in the Si columns. This transformation process is mainly attributed to the low lattice misfit of the equilibrium Q phase. Besides, the formation of various compositions of the Q phase is due to the different occupancy in the atomic columns of the Q phase. The occupancy changes in the columns of the Q phase are kinetically controlled and are strongly influenced by the alloy composition and aging temperature. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000460069500043 |
Publication Date |
2019-02-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-2461 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.599 |
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
Special major R & D Projects for Key Technology Innovation of Key Industries in Chongqing, cstc2017zdcy-zdzxX0006 ; Fundamental Research Funds for the Central Universities of China, 2018CDGFCL0002 106112017CDJQJ308822 ; Belgian National Fund for Scientific Research; the National Natural Science Foundation of China, 51871035 ; This work was supported by the Special major R & D Projects for Key Technology Innovation of Key Industries in Chongqing (Grant No. cstc2017zdcyzdzxX0006), the Fundamental Research Funds for the Central Universities of China (Grant No. 2018CDGFCL0002), the National Natural Science Foundation of China (Grant No. 51871035) and the Foundation for Innovative Research Groups J Mater Sci National Natural Science Foundation of China (Grant No. 51421001). H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). |
Approved |
Most recent IF: 2.599 |
| Call Number |
EMAT @ emat @UA @ admin @ c:irua:158112 |
Serial |
5158 |
| Permanent link to this record |
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| |
| Author |
Admasu, W.F.; Van Passel, S.; Minale, A.S.; Tsegaye, E.A.; Azadi, H.; Nyssen, J. |
| Title |
Take out the farmer: An economic assessment of land expropriation for urban expansion in Bahir Dar, Northwest Ethiopia |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Land Use Policy |
Abbreviated Journal |
Land Use Policy |
| Volume |
87 |
Issue |
87 |
Pages |
104038 |
| Keywords |
A1 Journal article; Engineering Management (ENM) |
| Abstract |
In Ethiopia, the demand for land for urbanisation is primarily met by converting rural land through expropriation. However, land expropriations are adversely affecting the previous land users by reducing the amount of production and their sources of income. In Bahir Dar, one of the fastest-growing cities in Ethiopia, approximately 300 landholdings are expropriated each year, on average, for urban expansion. This paper assesses the land expropriations to examine whether they offer economically appropriate compensation for the previous land users. Land expropriations for urbanisation between 2007/2008 and 2016/2017 were analysed based on data on land expropriation and its compensation payment obtained from the Bahir Dar City Land Administration and Management Office. Data were analysed using an exponential growth model and a stochastic budgeting technique in which Monte Carlo simulations are performed. Between 2007/2008 and 2016/2017, more than 1500 ha of land were included in the city's boundary through expropriation from 2900 landholders. The affected farmers received compensation that represents only 37 per cent of the value of current crop yields and its growth. The current compensation scheme ignores the impact of inflation on the prices of crops and assumes constant yields. It also excludes the value of crop residuals. We propose a workable discounted compensation framework that considers crop price and yield growths. This will make the compensation scheme more appropriate and make the affected farmers better off. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000483419100026 |
Publication Date |
2019-06-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0264-8377 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.089 |
Times cited |
1 |
Open Access |
|
| Notes |
; The authors acknowledge the Bahir Dar City Administration for sharing its compensation data, Bahir Dar Zuria Wereda Agriculture Office for sharing yield data, and the Industry and Trade Development Office for sharing crop price data. The Institutional University Cooperation with Bahir Dar University (BDU-IUC), funded by the Belgian authorities, through the Flemish Interuniversity Council University Development Cooperation, funded the research activities. We also thank the two anonymous reviewers and the editor of Land Use Policy for all constructive comments and suggestions. ; |
Approved |
Most recent IF: 3.089 |
| Call Number |
UA @ admin @ c:irua:162837 |
Serial |
6261 |
| Permanent link to this record |
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| |
| Author |
Gkanatsiou, A.; Lioutas, C.B.; Frangis, N.; Polychroniadis, E.K.; Prystawko, P.; Leszczynski, M.; Altantzis, T.; Van Tendeloo, G. |
| Title |
Influence of 4H-SiC substrate miscut on the epitaxy and microstructure of AlGaN/GaN heterostructures |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Materials science in semiconductor processing |
Abbreviated Journal |
Mat Sci Semicon Proc |
| Volume |
91 |
Issue |
|
Pages |
159-166 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
AlGaN/GaN heterostructures were grown on “on-axis” and 2° off (0001) 4H-SiC substrates by metalorganic vapor phase epitaxy (MOVPE). Structural characterization was performed by transmission electron microscopy. The dislocation density, being greater in the on-axis case, is gradually reduced in the GaN layer and is forming
dislocation loops in the lower region. Steps aligned along [11̅00] in the off-axis case give rise to simultaneous defect formation. In the on-axis case, an almost zero density of steps is observed, with the main origin of defects probably being the orientation mismatch at the grain boundaries between the small not fully coalesced AlN grains. V-shaped formations are observed in the AlN nucleation layer, but are more frequent in the off-axis case, probably enhanced by the presence of steps. These V-shaped formations are completely overgrown by the GaN layer, during the subsequent deposition, presenting AlGaN areas in the walls of the defect, indicating an interdiffusion between the layers. Finally, at the AlGaN/GaN heterostructure surface in the on-axis case, V-shapes are observed, with the AlN spacer and AlGaN (21% Al) thickness on relaxed GaN exceeding the critical thickness for relaxation. On the other hand, no relaxation in the form of V-shape creation is observed in the off-axis case, probably due to the smaller AlGaN thickness (less than 21% Al). The AlN spacer layer, grown in between the heterostructure, presents a uniform thickness and clear interfaces. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000454537700022 |
Publication Date |
2018-11-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1369-8001 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.359 |
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
Funding: This work was supported by the IKY Fellowships of Excellence for Postgraduate Studies in Greece-SIEMENS Program; the Greek General Secretariat for Research and Technology, contract SAE 013/8–2009SE 01380012; and the JU ENIAC Project LAST POWER Large Area silicon carbide Substrates and heteroepitaxial GaN for POWER device applications [grant number 120218]. Also part of the research leading to these results has received funding from the European Union Seventh Framework Program under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative–I3). T.A. acknowledges financial support from the Research Foundation Flanders (FWO, Belgium) through a post-doctoral grant. |
Approved |
Most recent IF: 2.359 |
| Call Number |
EMAT @ emat @UA @ admin @ c:irua:156200 |
Serial |
5149 |
| Permanent link to this record |
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| |
| Author |
Clima, S.; Garbin, D.; Devulder, W.; Keukelier, J.; Opsomer, K.; Goux, L.; Kar, G.S.; Pourtois, G. |
| Title |
Material relaxation in chalcogenide OTS SELECTOR materials |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
| Volume |
215 |
Issue |
215 |
Pages |
110996 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Nature of the mobility-gap states in amorphous Ge-rich Ge50Se50 was found to be related to homopolar Ge bonds in the chains/clusters of Ge atoms. Threshold switching material suffers Ge-Ge bond concentration drift during material ageing, which can explain the observed reliability of the aGe(50)Se(50) selector devices. Strong Ge-N bonds were introduced to alleviate the observed instability. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000480665600008 |
Publication Date |
2019-05-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0167-9317 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.806 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.806 |
| Call Number |
UA @ admin @ c:irua:161905 |
Serial |
6308 |
| Permanent link to this record |
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| |
| Author |
Zhao, L.; Macias, J.G.S.; Ding, L.; Idrissi, H.; Simar, A. |
| Title |
Damage mechanisms in selective laser melted AlSi10Mg under as built and different post-treatment conditions |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Microstructure And Processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
| Volume |
764 |
Issue |
764 |
Pages |
138210 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Selective laser melting (SLM) manufactured AlSi10Mg alloys present a fine silicon-rich network and precipitates which grant high mechanical strength but low ductility. Post-treatments, aiming at eliminating inherent defects related to SLM such as residual stresses, porosity or inhomogeneity, result in significant changes in the microstructure and impact both the hardening and the damage mechanisms of the post-treated material. The present work is dedicated to the investigation of the fracture of SLM AlSi10Mg under as built and three post-treatment conditions, namely two stress relieve heat treatments and friction stir processing (FSP). It is found that the interconnected Si network fosters damage at low strain due to the brittleness of the Si phase. The onset of damage transfers load to the enclosed Al phase which then fractures quickly under high stress, thus leading to low material ductility. In contrast, when the Si network is globularized into Si particles, the ductility is highly increased even in the case where the porosity and inhomogeneity of the microstructure remain after the post-treatment. The ductility enhancement results from the delay in void nucleation on the Si particles as well as from the tolerance for void growth in the Al matrix. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000486360100029 |
Publication Date |
2019-07-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-5093 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.094 |
Times cited |
1 |
Open Access |
|
| Notes |
; This research work has been supported by the WALInnov LongLifeAM project, Convention n 1810016, funded by Service public de Wallonie Economic Emploi Recherche (SPW-EER). L. Ding and A. Simar acknowledge the financial support of the European Research Council (ERC) for the Starting Grant ALUFIX project (grant agreement n 716678). J. G. Santos Macias acknowledges the support of the Fonds de la recherche scientifique -FNRS (FRIA grant), Belgium. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSRFNRS). Any-Shape is acknowledged for material supply. We thank Prof. P. J. Jacques from UCLouvain for fruitful discussion and critical reading of the paper. ; |
Approved |
Most recent IF: 3.094 |
| Call Number |
UA @ admin @ c:irua:162800 |
Serial |
5386 |
| Permanent link to this record |
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| |
| Author |
Liu, P.; Wu, T.; Madsen, J.; Schiotz, J.; Wagner, J.B.; Hansen, T.W. |
| Title |
Transformations of supported gold nanoparticles observed by in situ electron microscopy |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
| Volume |
11 |
Issue |
24 |
Pages |
11885-11891 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Oxide supported metal nanoparticles play an important role in heterogeneous catalysis. However, understanding the metal/oxide interface and their evolution under reaction conditions remains challenging. Herein, we investigate the interface between Au nanoparticles and a CeO2 substrate by environmental transmission electron microscopy with atomic resolution. We find that the Au nanoparticles have two preferential epitaxial relationships with the substrate, i.e. Type I (111)[-110]CeO2//(111)[-110]Au and Type II (111)[-110]CeO2//(111)[1-10]Au orientation relationships, where Type I is preferred. In situ observations in the presence of O-2 show that the gas can stimulate the supported Au nanoparticles to transform between these two orientations even at room temperature. Moreover, when increasing the temperature to 973 K, the transformation of an Au nanoparticle between the two orientation states and a non-crystalline state in the presence of O-2 is also observed. DFT calculations of the binding between Au and CeO2 in the two relationships are strongly influenced by the presence of oxygen vacancies. For a given position of a vacancy, there is a significant energy difference between the energy of the two types. However, for some positions, Type I is preferred, and for others, Type II, but the most favourable position of the vacancy for the two types has a very similar energy. This is consistent with the observation of both types of adhesion. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000472559800049 |
Publication Date |
2019-05-22 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| 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 |
1 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 7.367 |
| Call Number |
UA @ admin @ c:irua:161313 |
Serial |
5402 |
| Permanent link to this record |
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| |
| Author |
Khalilov, U.; Vets, C.; Neyts, E.C. |
| Title |
Molecular evidence for feedstock-dependent nucleation mechanisms of CNTs |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Nanoscale Horizons |
Abbreviated Journal |
Nanoscale Horiz. |
| Volume |
4 |
Issue |
3 |
Pages |
674-682 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Atomic scale simulations have been shown to be a powerful tool for elucidating the growth mechanisms of carbon nanotubes. The growth picture is however not entirely clear yet due to the gap between current simulations and real experiments. We here simulate for the first time the nucleation and subsequent growth of single-wall carbon nanotubes (SWNTs) from oxygen-containing hydrocarbon feedstocks using the hybrid Molecular Dynamics/Monte Carlo technique. The underlying nucleation mechanisms of Ni-catalysed SWNT growth are discussed in detail. Specifically, we find that as a function of the feedstock, different carbon fractions may emerge as the main growth species, due to a competition between the feedstock decomposition, its rehydroxylation and its contribution to etching of the growing SWNT. This study provides a further understanding of the feedstock effects in SWNT growth in comparison with available experimental evidence as well as with<italic>ab initio</italic>and other simulation data, thereby reducing the simulation–experiment gap. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000471816500011 |
Publication Date |
2019-01-02 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2055-6756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
1 |
Open Access |
Not_Open_Access: Available from 03.01.2020
|
| Notes |
Fonds Wetenschappelijk Onderzoek, 12M1318N 1S22516N ; The authors gratefully acknowledge financial support from the Research Foundation Flanders (FWO), Belgium (Grant numbers 12M1318N and 1S22516N). The work was carried out in part using the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by FWO and the Flemish Government (Department EWI). We thank Prof. A. C. T. van Duin for sharing the reax-code and forcefield parameters. |
Approved |
Most recent IF: NA |
| Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159658 |
Serial |
5169 |
| Permanent link to this record |
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| |
| Author |
Kosov, A.D.; Dubrinina, T.V.; Borisova, N.E.; Ivanov, A.V.; Drozdov, K.A.; Trashin, S.A.; De Wael, K.; Kotova, M.S.; Tomilova, L.G. |
| Title |
Novel phenyl-substituted pyrazinoporphyrazine complexes of rare-earth elements : optimized synthetic protocols and physicochemical properties |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
New journal of chemistry |
Abbreviated Journal |
New J Chem |
| Volume |
43 |
Issue |
7 |
Pages |
3153-3161 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Novel synthetic protocols based on both template and multi-step methods were developed for phenyl-substituted pyrazinoporphyrazine complexes of rare-earth elements (Y, Eu, Gd, Dy, Er and Lu). p-Hydroquinone was employed as a reaction medium and as a reducing agent in the process of porphyrazine macrocycle formation. Both thermal and microwave irradiation techniques were successfully applied for activation of the template macrocyclization process. An alternative multi-step approach involving the initial stage of free-base ligand formation was realized for the lutetium compound. The target complexes were identified by high-resolution mass spectrometry, infrared spectroscopy and nuclear magnetic resonance (NMR) spectroscopy. Electrochemical behavior in solution and UV-vis absorbance in solutions and films were studied as well. Shifts in the position of the Q band and oxidationreduction potentials in comparison with corresponding phthalocyanine analogues were noticed. Using the IR absorption spectra recorded in the temperature range of 170300 K, the position of the Fermi level of −4.7 ± 0.1 eV and a characteristic energy diagram were obtained for the erbium complex. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000459944500035 |
Publication Date |
2019-01-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1144-0546 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.269 |
Times cited |
1 |
Open Access |
|
| Notes |
; We are grateful for main financial support from the Russian Foundation for Basic Research (Grant No. 16-33-60005 and 18-33-00519). Investigation of optical properties was supported by the Russian Science Foundation (Grant 17-13-01197). Electrochemical investigations were supported by ERA.Net RUS Plus Plasmon Electrolight and FWO funding (RFBR No. 18-53-76006 ERA). We also thank the Council under the President of the Russian Federation for State Support of Young Scientists and Leading Scientific Schools (Grants MK-3115.2018.3) and partial support from the framework of the State Assignment of 2019 (Theme 45.5 Creation of compounds with given physicochemical properties). Investigation of electrophysical properties was supported by the RFBR (Grant 16-07-00961). K. A. Drozdov and M. S. Kotova thank Prof. L. I. Ryabova for productive discussion of the electrophysical data. ; |
Approved |
Most recent IF: 3.269 |
| Call Number |
UA @ admin @ c:irua:156555 |
Serial |
5750 |
| Permanent link to this record |
| |
|
| |
| Author |
Vanmeert, M.; Razzokov, J.; Mirza, M.U.; Weeks, S.D.; Schepers, G.; Bogaerts, A.; Rozenski, J.; Froeyen, M.; Herdewijn, P.; Pinheiro, V.B.; Lescrinier, E. |
| Title |
Rational design of an XNA ligase through docking of unbound nucleic acids to toroidal proteins |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Nucleic acids research |
Abbreviated Journal |
Nucleic Acids Res |
| Volume |
47 |
Issue |
13 |
Pages |
7130-7142 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Xenobiotic nucleic acids (XNA) are nucleic acid analogues not present in nature that can be used for the storage of genetic information. In vivo XNA applications could be developed into novel biocontainment strategies, but are currently limited by the challenge of developing XNA processing enzymes such as polymerases, ligases and nucleases. Here, we present a structure-guided modelling-based strategy for the rational design of those enzymes essential for the development of XNA molecular biology. Docking of protein domains to unbound double-stranded nucleic acids is used to generate a first approximation of the extensive interaction of nucleic acid processing enzymes with their substrate. Molecular dynamics is used to optimise that prediction allowing, for the first time, the accurate prediction of how proteins that form toroidal complexes with nucleic acids interact with their substrate. Using the Chlorella virus DNA ligase as a proof of principle, we recapitulate the ligase's substrate specificity and successfully predict how to convert it into an XNA-templated XNA ligase. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000490556600047 |
Publication Date |
2019-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0305-1048 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
10.162 |
Times cited |
1 |
Open Access |
|
| Notes |
European Research Council, FP7/2007-2013 ERC-2012-ADG 20120216/320683 ; KU Leuven, OT/14/128 ; Biotechnology and Biosciences Research Council, BB/N01023X/1 BB/N010221/1 ; Authors are grateful to Prof. Dr A.M.J.J. (Alexandre) Bonvin from the University of Utrecht and the WeNMR institute for his expert contribution. We have greatly benefited from discussions and help from numerous postdocs over the years (in particular, Dr E. Groaz, Dr E. Eremeeva, Dr J. Masschelein, Dr S. Xiaoping and Dr M. Renders) as well as graduate student D. Kestemont and undergraduate student M. Abdel Fattah Ismail. We express our gratitude to L. Margamuljana for helpful discussions and excellent technical assistance on in vitro experiments. |
Approved |
Most recent IF: 10.162 |
| Call Number |
PLASMANT @ plasmant @c:irua:162105 |
Serial |
5359 |
| Permanent link to this record |
| |
|
| |
| Author |
Magnus, W.; Brosens, F. |
| Title |
Occupation numbers in a quantum canonical ensemble : a projection operator approach |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
| Volume |
518 |
Issue |
518 |
Pages |
253-264 |
| Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
| Abstract |
Recently, we have used a projection operator to fix the number of particles in a second quantization approach in order to deal with the canonical ensemble. Having been applied earlier to handle various problems in nuclear physics that involve fixed particle numbers, the projector formalism was extended to grant access as well to quantum-statistical averages in condensed matter physics, such as particle densities and correlation functions. In this light, the occupation numbers of the subsequent single-particle energy eigenstates are key quantities to be examined. The goal of this paper is (1) to provide a sound extension of the projector formalism directly addressing the occupation numbers as well as the chemical potential, and (2) to demonstrate how the emerging problems related to numerical instability for fermions can be resolved to obtain the canonical statistical quantities for both fermions and bosons. (C) 2018 Elsevier B.V. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000456359200021 |
Publication Date |
2018-11-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0378-4371 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.243 |
Times cited |
1 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 2.243 |
| Call Number |
UA @ admin @ c:irua:157468 |
Serial |
5223 |
| Permanent link to this record |
| |
|
| |
| Author |
Dabral, A.; Lu, A.K.A.; Chiappe, D.; Houssa, M.; Pourtois, G. |
| Title |
A systematic study of various 2D materials in the light of defect formation and oxidation |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
21 |
Issue |
3 |
Pages |
1089-1099 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The thermodynamic aspects of various 2D materials are explored using Density Functional Theory (DFT). Various metal chalcogenides (MX2, M = metal, chalcogen X = S, Se, Te) are investigated with respect to their interaction and stability under different ambient conditions met in the integration process of a transistor device. Their interaction with high- dielectrics is also addressed, in order to assess their possible integration in Complementary Metal Oxide Semiconductor (CMOS) field effect transistors. 2D materials show promise for high performance nanoelectronic devices, but the presence of defects (vacancies, grain boundaries,...) can significantly impact their electronic properties. To assess the impact of defects, their enthalpies of formation and their signature levels in the density of states have been studied. We find, consistently with literature reports, that chalcogen vacancies are the most likely source of defects. It is shown that while pristine 2D materials are in general stable whenever set in contact with different ambient atmospheres, the presence of defective sites affects the electronic properties of the 2D materials to varying degrees. We observe that all the 2D materials studied in the present work show strong reactivity towards radical oxygen plasma treatments while reactivity towards other common gas phase chemical such as O-2 and H2O and groups present at the high- surface varies significantly between species. While energy band-gaps, effective masses and contact resistivities are key criteria in selection of 2D materials for scaled CMOS and tunneling based devices, the phase and ambient stabilities might also play a very important role in the development of reliable nanoelectronic applications. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000456147000009 |
Publication Date |
2018-12-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.123 |
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:156715 |
Serial |
5267 |
| Permanent link to this record |
| |
|
| |
| Author |
Van der Paal, J.; Hong, S.-H.; Yusupov, M.; Gaur, N.; Oh, J.-S.; Short, R.D.; Szili, E.J.; Bogaerts, A. |
| Title |
How membrane lipids influence plasma delivery of reactive oxygen species into cells and subsequent DNA damage : an experimental and computational study |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
21 |
Issue |
35 |
Pages |
19327-19341 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The mechanisms of plasma in medicine are broadly attributed to plasma-derived reactive oxygen and nitrogen species (RONS). In order to exert any intracellular effects, these plasma-derived RONS must first traverse a major barrier in the cell membrane. The cell membrane lipid composition, and thereby the magnitude of this barrier, is highly variable between cells depending on type and state (e.g. it is widely accepted that healthy and cancerous cells have different membrane lipid compositions). In this study, we investigate how plasma-derived RONS interactions with lipid membrane components can potentially be exploited in the future for treatment of diseases. We couple phospholipid vesicle experiments, used as simple cell models, with molecular dynamics (MD) simulations of the lipid membrane to provide new insights into how the interplay between phospholipids and cholesterol may influence the response of healthy and diseased cell membranes to plasma-derived RONS. We focus on the (i) lipid tail saturation degree, (ii) lipid head group type, and (iii) membrane cholesterol fraction. Using encapsulated molecular probes, we study the influence of the above membrane components on the ingress of RONS into the vesicles, and subsequent DNA damage. Our results indicate that all of the above membrane components can enhance or suppress RONS uptake, depending on their relative concentration within the membrane. Further, we show that higher RONS uptake into the vesicles does not always correlate with increased DNA damage, which is attributed to ROS reactivity and lifetime. The MD simulations indicate the multifactorial chemical and physical processes at play, including (i) lipid oxidation, (ii) lipid packing, and (iii) lipid rafts formation. The methods and findings presented here provide a platform of knowledge that could be leveraged in the development of therapies relying on the action of plasma, in which the cell membrane and oxidative stress response in cells is targeted. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
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Editor |
|
| Language |
|
Wos |
000486175400045 |
Publication Date |
2019-08-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.123 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:162782 |
Serial |
6303 |
| Permanent link to this record |
| |
|
| |
| Author |
Sun, J.-Y.; Wen, D.-Q.; Zhang, Q.-Z.; Liu, Y.-X.; Wang, Y.-N. |
| Title |
The effects of electron surface interactions in geometrically symmetric capacitive RF plasmas in the presence of different electrode surface materials |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Physics of plasmas |
Abbreviated Journal |
Phys Plasmas |
| Volume |
26 |
Issue |
6 |
Pages |
063505 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Particle-in-cell/Monte Carlo collision (PIC/MCC) simulations are performed to investigate the asymmetric secondary electron emission (SEE) effects when electrons strike two different material electrodes in low pressure capacitively coupled plasmas (CCPs). To describe the electron-surface interactions, a realistic model, considering the primary electron impact energy and angle, as well as the corresponding surface property-dependent secondary electron yields, is employed in PIC/MCC simulations. In this model, three kinds of electrons emitted from the surface are considered: (i) elastically reflected electrons, (ii) inelastically backscattered electrons, and (iii) electron induced secondary electrons (SEs, i.e., delta-electrons). Here, we examined the effects of electron-surface interactions on the ionization dynamics and plasma characteristics of an argon discharge. The discharge is driven by a voltage source of 13.56MHz with amplitudes in the range of 200-2000V. The grounded electrode material is copper (Cu) for all cases, while the powered electrode material is either Cu or silicon dioxide (SiO2). The simulations reveal that the electron impact-induced SEE is an essential process at low pressures, especially at high voltages. Different electrode materials result in an asymmetric response of SEE. Depending on the instantaneous local sheath potential and the phase of the SEE, these SEs either are reflected by the opposite sheath or strike the electrode surface, where they can induce delta-electrons upon their residual energies. It is shown that highly energetic delta-electrons contribute significantly to the ionization rate and a self-bias forms when the powered electrode material is assumed to be made of SiO2. Complex dynamics is observed due to the multiple electron-surface interaction processes and asymmetric yields of SEs in CCPs. |
| Address |
|
| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
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Editor |
|
| Language |
|
Wos |
000474440600043 |
Publication Date |
2019-06-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1070-664x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.115 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.115 |
| Call Number |
UA @ admin @ c:irua:161353 |
Serial |
6327 |
| Permanent link to this record |
| |
|
| |
| Author |
Milis, K.; Peremans, H.; Springael, J.; Van Passel, S. |
| Title |
Win-win possibilities through capacity tariffs and battery storage in microgrids |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Renewable & Sustainable Energy Reviews |
Abbreviated Journal |
Renew Sust Energ Rev |
| Volume |
113 |
Issue |
113 |
Pages |
109238 |
| Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
| Abstract |
This paper investigates the impact of capacity tariff design on microgrids. While the possible benefits for utilities of capacity tariffs are well researched, comparatively little work has been done investigating the effects of capacity pricing on prosumers. Through simulating a grid connected microgrid and solving the day-ahead dispatch problem for a calendar year, we show that a well-designed capacity tariff will not only smooth out demand profiles, but could also lead to less erratic charge/discharge cycles in a real-time pricing scenario, lessening battery degradation. These results show that a properly designed capacity tariff has the potential to be beneficial for both the utilities as well as the battery-owning prosumer. Furthermore, we propose a new, heuristic approach to solve the day-ahead economic dispatch problem, which we prove to be effective and efficient. Additionally, we demonstrate that our novel approach does not impose mathematical restrictions such as continuous differentiability of the objective function. We show that the proposed capacity tariff achieves the stated aim of promoting battery storage uptake and that our novel method allows for compression and shorter run times. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
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Editor |
|
| Language |
|
Wos |
000483422600019 |
Publication Date |
2019-07-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1364-0321; 1879-0690 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
8.05 |
Times cited |
1 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 8.05 |
| Call Number |
UA @ admin @ c:irua:160566 |
Serial |
6279 |
| Permanent link to this record |
| |
|
| |
| Author |
Alaerts, L.; Van Acker, K.; Rousseau, S.; De Jaeger, S.; Moraga, G.; Dewulf, J.; De Meester, S.; Van Passel, S.; Compernolle, T.; Bachus, K.; Vrancken, K.; Eyckmans, J. |
| Title |
Towards a more direct policy feedback in circular economy monitoring via a societal needs perspective |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Resources, conservation and recycling |
Abbreviated Journal |
Resour Conserv Recy |
| Volume |
149 |
Issue |
149 |
Pages |
363-371 |
| Keywords |
A1 Journal article; Economics; Engineering Management (ENM); Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
The increasing focus on circular economy at the level of governments and policy requires the development of appropriate indicators to effectively monitor the progress towards the circular economy. Currently two very different types of indicator areas are under development: (i) monitoring frameworks based on macro indicators that summarize the progress at (supra)national level, and (ii) micro indicators tailored towards assessing circularity at the level of products. It is not possible to obtain sufficiently direct feedback about the impact of policy interventions by either macro or micro indicators alone. In this paper, a conceptual approach is developed that aims to bridge the gap between the micro and macro level with meso level indicators, and thus ultimately deliver more direct feedback for policymakers, via the insertion of an extra level of meso indicators in between the macro and the micro level. These indicators have been extracted from a dedicated workshop that involved policy, sector and societal stakeholders. The aim of these indicators is to report on progress towards circular economy objectives based on the fulfillment of societal needs. In this way the consumption perspective is given a central position, and the role of circular business models is acknowledged. Following the development of the concept, the next steps towards tailored, flexible and agile monitoring frameworks for circular economy at (supra)national and regional level are outlined. The paper concludes with an illustrative example of the framework applied to the mobility system. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
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Editor |
|
| Language |
|
Wos |
000483414300034 |
Publication Date |
2019-06-21 |
| 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 |
3.313 |
Times cited |
1 |
Open Access |
|
| Notes |
; The authors are very grateful for financial support received from the Flemish administration via the Steunpunt Circulaire Economie (Policy Research Centre Circular Economy). This publication contains the opinions of the authors, not that of the Flemish administration. The Flemish administration will not carry any liability with respect to the use that can be made of the produced data or conclusions. The authors are also grateful to the numerous stakeholders for extended discussions and comments. ; |
Approved |
Most recent IF: 3.313 |
| Call Number |
UA @ admin @ c:irua:162774 |
Serial |
6271 |
| Permanent link to this record |
| |
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| |
| Author |
Rahemi, V.; Trashin, S.; Hafideddine, Z.; Meynen, V.; Van Doorslaer, S.; De Wael, K. |
| Title |
Enzymatic sensor for phenols based on titanium dioxide generating surface confined ROS after treatment with H2O2 |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Sensors and actuators : B : chemical |
Abbreviated Journal |
Sensor Actuat B-Chem |
| Volume |
283 |
Issue |
283 |
Pages |
343-348 |
| Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Titanium dioxide (TiO2) is a popular material as host matrix for enzymes. We now evidence that TiO2 can accumulate and retain reactive oxygen species after treatment by hydrogen peroxide (H2O2) and support redox cycling of a phenolic analyte between horseradish peroxidase (HRP) and an electrode. The proposed detection scheme is identical to that of second generation biosensors, but the measuring solution requires no dissolved H2O2. This significantly simplifies the analysis and overcomes issues related to H2O2 being present (or generated) in the solution. The modified electrodes showed rapid stabilization of the baseline, a low noise level, fast realization of a steady-state current response, and, in addition, improved sensitivity and limit of detection compared to the conventional approach, i.e. in the presence of H2O2 in the measuring solution. Hydroquinone, 4-aminophenol, and other phenolic compounds were successfully detected at sub-μM concentrations. Particularly, a linear response in the concentration range between 0.025 and 2 μM and LOD of 24 nM was demonstrated for 4-aminophenol. The proposed sensor design goes beyond the traditional concept with three sensors generations offering a new possibility for the development of enzymatic sensors based on peroxidases and the formation of ROS on titania after treatment with H2O2. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
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| Language |
|
Wos |
000455854000043 |
Publication Date |
2018-12-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0925-4005 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.401 |
Times cited |
1 |
Open Access |
|
| Notes |
; The authors thank the University of Antwerp for GOA funding and the Scientific Research-Flanders (FWO) (grant 12T4219N). V. Rahemi is financially supported through a postdoctoral fellowship of the Research Foundation-Flanders (FWO). ; |
Approved |
Most recent IF: 5.401 |
| Call Number |
UA @ admin @ c:irua:155665 |
Serial |
5605 |
| Permanent link to this record |
| |
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| |
| Author |
Sharp, J.; Mueller, I.C.; Mandal, P.; Abbas, A.; Nord, M.; Doye, A.; Ehiasarian, A.; Hovsepian, P.; MacLaren, I.; Rainforth, W.M. |
| Title |
Characterisation of a high-power impulse magnetron sputtered C/Mo/W wear resistant coating by transmission electron microscopy |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Surface and coatings technology |
Abbreviated Journal |
Surf Coat Tech |
| Volume |
377 |
Issue |
377 |
Pages |
124853 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Thin films of C/Mo/W deposited using combined UBM/HIPIMS sputtering show 2-8 nm clusters of material richer in Mo and W than the matrix (found by EDS microanalysis), with structures that resemble graphitic onions with the metal atoms arranged regularly within them. EELS microanalysis showed the clusters to be rich in W and Mo. As the time averaged power used in the pulsed HIPIMS magnetron was increased, the clusters became more defined, larger, and arranged into layers with amorphous matrix between them. Films deposited with average HIPIMS powers of 4 kW and 6 kW also showed a periodic modulation of the cluster density within the finer layers giving secondary, wider stripes in TEM. By analysing the ratio between the finer and coarser layers, it was found that this meta-layering is related to the substrate rotation in the deposition chamber but in a non-straightforward way. Reasons for this are proposed. The detailed structure of the clusters remains unknown and is the subject of further work. Fluctuation electron microscopy results indicated the presence of crystal planes with the graphite interlayer spacing, crystal planes in hexagonal WC perpendicular to the basal plane, and some plane spacings found in Mo2C. Other peaks in the FEM results suggested symmetry-related starting points for future determination of the structure of the clusters. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000488417800015 |
Publication Date |
2019-08-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0257-8972 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.589 |
Times cited |
1 |
Open Access |
|
| Notes |
; J.S. thanks the Mercury Centre at the University of Sheffield for funding, which was part funded by the ERDF under grant MERCURY 904467. I.C.M. acknowledges support from CONACyT and RobertoRocca Education Fellowship. We gratefully acknowledge funding from EPSRC for the pixelated STEM detector and the software used in its operation for the fluctuation microscopy (EP/M009963/ 1, EP/K503903/1 & EP/R511705/1). AD was supported by the EPSRC CDT in Integrative Sensing and Measurement, Grant Number EP/L016753/1. Funding sources did not influence the planning or execution of this work except to enable it. ; |
Approved |
Most recent IF: 2.589 |
| Call Number |
UA @ admin @ c:irua:163700 |
Serial |
5383 |
| Permanent link to this record |
| |
|
| |
| Author |
Vermeiren, V.; Bogaerts, A. |
| Title |
Improving the Energy Efficiency of CO2Conversion in Nonequilibrium Plasmas through Pulsing |
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 |
29 |
Pages |
17650-17665 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Nonequilibrium plasmas offer a pathway for energy-efficient CO2 conversion through vibrationally induced dissociation. However, the efficiency of this pathway is limited by a rise in gas temperature, which increases vibrational−translational (VT) relaxation and quenches the vibrational levels. Therefore, we investigate here the effect of plasma pulsing on the VT nonequilibrium and on the CO2 conversion by means of a zerodimensional chemical kinetics model, with self-consistent gas temperature calculation. Specifically, we show that higher energy efficiencies can be reached by correctly tuning the plasma pulse and interpulse times. The ideal plasma pulse time corresponds to the time needed to reach the highest vibrational temperature. In addition, the highest energy efficiencies are obtained with long interpulse times, that is, ≥0.1 s, in which the gas temperature can entirely drop to room temperature. Furthermore, additional cooling of the reactor walls can give higher energy efficiencies at shorter interpulse times of 1 ms. Finally, our model shows that plasma pulsing can significantly improve the energy efficiency at low reduced electric fields (50 and 100 Td, typical for microwave and gliding arc plasmas) and intermediate ionization degrees (5 × 10−7 and 10−6). |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000477785000003 |
Publication Date |
2019-07-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
1 |
Open Access |
|
| Notes |
Fonds Wetenschappelijk Onderzoek, G.0383.16N ; This research was supported by the FWO project (grant G.0383.16N). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UAntwerpen. We also like to thank N. Britun (ChIPS) for the interesting discussions. |
Approved |
Most recent IF: 4.536 |
| Call Number |
PLASMANT @ plasmant @c:irua:161621 |
Serial |
5289 |
| Permanent link to this record |
| |
|
| |
| Author |
Fatermans, J.; Van Aert, S.; den Dekker, A.J. |
| Title |
The maximum a posteriori probability rule for atom column detection from HAADF STEM images |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
201 |
Issue |
|
Pages |
81-91 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
| Abstract |
Recently, the maximum a posteriori (MAP) probability rule has been proposed as an objective and quantitative method to detect atom columns and even single atoms from high-resolution high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) images. The method combines statistical parameter estimation and model-order selection using a Bayesian framework and has been shown to be especially useful for the analysis of the structure of beam-sensitive nanomaterials. In order to avoid beam damage, images of such materials are usually acquired using a limited incoming electron dose resulting in a low contrast-to-noise ratio (CNR) which makes visual inspection unreliable. This creates a need for an objective and quantitative approach. The present paper describes the methodology of the MAP probability rule, gives its step-by-step derivation and discusses its algorithmic implementation for atom column detection. In addition, simulation results are presented showing that the performance of the MAP probability rule to detect the correct number of atomic columns from HAADF STEM images is superior to that of other model-order selection criteria, including the Akaike Information Criterion (AIC) and the Bayesian Information Criterion (BIC). Moreover, the MAP probability rule is used as a tool to evaluate the relation between STEM image quality measures and atom detectability resulting in the introduction of the so-called integrated CNR (ICNR) as a new image quality measure that better correlates with atom detectability than conventional measures such as signal-to-noise ratio (SNR) and CNR. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000466343800009 |
Publication Date |
2019-02-04 |
| 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 |
1 |
Open Access |
OpenAccess |
| Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (No. W.O.010.16N, No. G.0368.15N, No. G.0502.18N). 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:157176 |
Serial |
5153 |
| Permanent link to this record |
| |
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| |
| Author |
Pennycook, T.J.; Martinez, G.T.; Nellist, P.D.; Meyer, J.C. |
| Title |
High dose efficiency atomic resolution imaging via electron ptychography |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
196 |
Issue |
196 |
Pages |
131-135 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Radiation damage places a fundamental limitation on the ability of microscopy to resolve many types of materials at high resolution. Here we evaluate the dose efficiency of phase contrast imaging with electron ptychography. The method is found to be far more resilient to temporal incoherence than conventional and spherical aberration optimized phase contrast imaging, resulting in significantly greater clarity at a given dose. This robustness is explained by the presence of achromatic lines in the four dimensional ptychographic dataset. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
000451180800018 |
Publication Date |
2018-10-18 |
| 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 |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.843 |
| Call Number |
UA @ admin @ c:irua:165939 |
Serial |
6301 |
| Permanent link to this record |
| |
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| |
| Author |
Vishwakarma, M.; Thota, N.; Karakulina, O.; Hadermann, J.; Mehta, B.R. |
| Title |
Role of graphene inter layer on the formation of the MoS2 – CZTS interface during growth |
Type |
P1 Proceeding |
| Year |
2018 |
Publication |
(icc-2017) |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
| Abstract |
The growth of MoS2 layer near the Mo/CZTS interface during sulphurization process can have an impact on back contact cell parameters (series resistance and fill factor) depending upon the thickness or quality of MoS2. This study reports the dependence of the thickness of interfacial MoS2 layer on the growth of graphene at the interface between molybdenum back contact and deposited CZTS layer. The graphene layer reduces the accumulation of Zn/ZnS, Sn/SnO2 and formation of pores near the MoS2-CZTS interface. The use of graphene as interface layer can be potentially useful for improving the quality of Mo/MoS2/CZTS interface. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
Amer inst physics |
Place of Publication |
Melville |
Editor |
|
| Language |
|
Wos |
000436313003046 |
Publication Date |
2018-05-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
1953 |
Series Issue |
|
Edition |
|
| ISSN |
978-0-7354-1648-2; 0094-243x; 0094-243x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
1 |
Open Access |
OpenAccess |
| Notes |
; The authors acknowledge support provided by DST project. M.V. acknowledges IIT Delhi for MHRD fellowship. Prof. B. R. Mehta acknowledges the support of the Schlumberger chair professorship. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:153203 |
Serial |
5126 |
| Permanent link to this record |
| |
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| |
| Author |
Gauquelin, N.; Zhang, H.; Zhu, G.; Wei, J.Y.T.; Botton, G.A. |
| Title |
Atomic-scale identification of novel planar defect phases in heteroepitaxial YBa2Cu3O7-\delta thin films |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
AIP advances |
Abbreviated Journal |
Aip Adv |
| Volume |
8 |
Issue |
5 |
Pages |
055022 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
We have discovered two novel types of planar defects that appear in heteroepitaxial YBa2Cu3O7-delta(YBCO123) thin films, grown by pulsed-laser deposition (PLD) either with or without a La2/3Ca1/3MnO3 (LCMO) overlayer, using the combination of highangle annular dark-field scanning transmission electron microscopy (HAADF-STEM) imaging and electron energy loss spectroscopy (EELS) mapping for unambiguous identification. These planar lattice defects are based on the intergrowth of either a BaO plane between two CuO chains or multiple Y-O layers between two CuO2 planes, resulting in non-stoichiometric layer sequences that could directly impact the high-Tc superconductivity. (C) 2018 Author(s). |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
Melville, NY |
Editor |
|
| Language |
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Wos |
000433954000022 |
Publication Date |
2018-05-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2158-3226 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.568 |
Times cited |
1 |
Open Access |
OpenAccess |
| Notes |
; We are thankful to Julia Huang for FIB TEM sample preparation. This work is supported by NSERC (through Discovery Grants to GAB and JYTW) and CIFAR. The electron microscopy work was carried out at the Canadian Centre for Electron Microscopy, a National Facility supported by McMaster University, the Canada Foundation for Innovation and NSERC. N.G. acknowledges H. Idrissi for useful discussions. ; |
Approved |
Most recent IF: 1.568 |
| Call Number |
UA @ lucian @ c:irua:152063 |
Serial |
5013 |
| Permanent link to this record |
| |
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| |
| Author |
Vanschoenwinkel, J.; Van Passel, S. |
| Title |
Climate response of rainfed versus irrigated farms: the bias of farm heterogeneity in irrigation |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Climatic Change |
Abbreviated Journal |
Climatic Change |
| Volume |
147 |
Issue |
1-2 |
Pages |
225-234 |
| Keywords |
A1 Journal article; Engineering Management (ENM) |
| Abstract |
Researchers who do not take into account farm heterogeneity in implementing specific climate change adaptation options might significantly bias their findings. To prove this point, this paper focusses on irrigation as an adaptation option to climate change and highlights the fact that there is no such thing as “irrigation.” Instead, different farms consider water management options across a spectrum that ranges from purely rainfed farms to purely irrigated farms with in between the extreme practices such as supplemental irrigation, water conservation practices, and different irrigation techniques. Accounting for such differences is necessary, yet difficult due to a lack of farm-specific data on water management and irrigation. This paper uses unique Farm Accountancy Data Network data of Western European farmers on the proportion of farmland that each farm irrigates. Unlike previous work, this allows taking into account some within-irrigation heterogeneity instead of simply categorizing farms as being “irrigated.” We estimate and compare climate response models based on the Ricardian cross-sectional method for a large range of irrigation categories. The results give insights into how the farm irrigation climate response can be significantly different depending on how irrigation is defined. This proves that ignoring within-adaptation differences when comparing non-adaptation with adaptation (in this case, rainfed versus irrigated agriculture) might lead to biased conclusions with regard to effectiveness of adaptation strategies. We therefore argue that it might be more relevant to understand at which point and under which circumstances irrigated agriculture is more or less beneficial than rainfed agriculture. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000425959700017 |
Publication Date |
2018-01-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0165-0009 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
| Impact Factor |
3.496 |
Times cited |
1 |
Open Access |
|
| Notes |
; This paper was supported by the Horizon 2020 project SUFISA (Grant Agreement No. 635577). ; |
Approved |
Most recent IF: 3.496 |
| Call Number |
UA @ admin @ c:irua:149895 |
Serial |
6166 |
| Permanent link to this record |
| |
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| |
| Author |
Eliaerts, J.; Meert, N.; Van Durme, F.; Samyn, N.; De Wael, K.; Dardenne, P. |
| Title |
Practical tool for sampling and fast analysis of large cocaine seizures |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Drug testing and analysis |
Abbreviated Journal |
Drug Test Anal |
| Volume |
10 |
Issue |
6 |
Pages |
1039-1042 |
| Keywords |
A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Large quantities of illicit drugs are frequently seized by law enforcement. In such cases, a representative number of samples needs to be quickly examined prior to destruction. No procedure has yet been set up which rapidly provides information regarding the homogeneity of the samples, the presence of controlled substances and the degree of purity. This study establishes a protocol for fast analysis of cocaine and its most common cutting agent, levamisole, in large seizures. The protocol is based on a hypergeometric sampling approach combined with FTIR spectrometry and Support Vector Machines (SVM) algorithms as analysis methods. To demonstrate the practical use of this approach, five large cocaine seizures (consisting between 45 and 85 units) were analysed simultaneously with GC-MS, GC-FID and a portable FTIR spectrometer using Attenuated Total Reflectance (ATR) sampling combined with SVM models. According to the hypergeometric sampling plan of the Drugs Working Group ENFSI guidelines, the required number of subsamples ranged between 19 and 23. Considering the identification analyses, the SVM models detected cocaine and levamisole in all subsamples of cases 1 to 5 (100% correct classification), which was confirmed by GC-MS analysis. Considering the quantification analyses, the SVM models were able to estimate the cocaine and levamisole content in each subsample, compared to GC-FID data. The developed strategy is easy, cost effective and provides immediate information about both the presence and concentration of cocaine and levamisole. By using this new strategy, the number of confirmation analyses with laborious and expensive chromatographic techniques could be significantly reduced. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000435270300016 |
Publication Date |
2018-02-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1942-7603; 1942-7611 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.469 |
Times cited |
1 |
Open Access |
|
| Notes |
; Belgian Science Policy Office (BELSPO), Grant/Award Number: WE/49/N14-O14 ; |
Approved |
Most recent IF: 3.469 |
| Call Number |
UA @ admin @ c:irua:148760 |
Serial |
5781 |
| Permanent link to this record |
| |
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| |
| Author |
Biely, K.; Maes, D.; Van Passel, S. |
| Title |
The idea of weak sustainability is illegitimate |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Environment, development and sustainability |
Abbreviated Journal |
|
| Volume |
20 |
Issue |
1 |
Pages |
223-232 |
| Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
| Abstract |
Since the introduction of the sustainability challenge, scientists disagree over the interpretation of the term sustainability. Weak and strong sustainability are the two main interpretations of sustainability, which are opposing each other. Some researchers stated that the interpretation of the term depends on the context; others disagree pointing out that it always implies the meaning of continuation. The term sustainability can be used as attribute, which adds a certain characteristic to the noun. If something can be attributed as being sustainable, it can also be unsustainable. The sustainability challenge consists of shifting from the current unsustainable towards a sustainable system. This paper outlines that the weak sustainability term is illegitimate, as it leads to a contradiction with the acknowledged assumption that the current state is unsustainable. This contradiction is revealed through an analysis of the occurrence of decoupling in agriculture: Agricultural land use could be decoupled from agricultural production, but only with the trade-off of massive increases in fertilizer, pesticide, energy and water usage. This paper outlines an inherent inconsistency within the ongoing discussion about the interpretation of sustainability. Through identifying the invalidity of the weak sustainability interpretation the focus can be shifted form the discourse to the sustainability challenge itself. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000423142700011 |
Publication Date |
2016-10-31 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1387-585x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
1 |
Open Access |
|
| Notes |
; The authors would like to thank the reviewers for their time and their comments on the draft version. This paper was supported by the Horizon 2020 project SUFISA (Grant Agreement No. 635577). ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:149043 |
Serial |
6212 |
| Permanent link to this record |
| |
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| |
| Author |
Contino, A.; Ciofi, I.; Wu, X.; Asselberghs, I.; Celano, U.; Wilson, C.J.; Tokei, Z.; Groeseneken, G.; Sorée, B. |
| Title |
Modeling of edge scattering in graphene interconnects |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
IEEE electron device letters |
Abbreviated Journal |
Ieee Electr Device L |
| Volume |
39 |
Issue |
7 |
Pages |
1085-1088 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Graphene interconnects are being considered as a promising candidate for beyond CMOS applications, thanks to the intrinsic higher carrier mobility, lower aspect ratio and better reliability with respect to conventional Cu damascene interconnects. However, similarly to Cu, line edge roughness can seriously affect graphene resistance, something which must be taken into account when evaluating the related performance benefits. In this letter, we present a model for assessing the impact of edge scattering on the resistance of graphene interconnects. Our model allows the evaluation of the total mean free path in graphene lines as a function of graphene width, diffusive scattering probability and edge roughness standard deviation and autocorrelation length. We compare our model with other models from literature by benchmarking them using the same set of experimental data. We show that, as opposed to the considered models from literature, our model is capable to describe the mobility drop with scaling caused by significantly rough edges. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000437087400041 |
Publication Date |
2018-05-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0741-3106 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.048 |
Times cited |
1 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.048 |
| Call Number |
UA @ lucian @ c:irua:152465UA @ admin @ c:irua:152465 |
Serial |
5114 |
| Permanent link to this record |
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| |
| Author |
Sieger, M.; Pahlke, P.; Lao, M.; Meledin, A.; Eisterer, M.; Van Tendeloo, G.; Schultz, L.; Nielsch, K.; Huehne, R. |
| Title |
Thick secondary phase pinning-enhanced YBCO films on technical templates |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
|
| Volume |
28 |
Issue |
4 |
Pages |
8000505 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The critical current I-c(B) of YBa2Cu3O7-delta (YBCO) coated conductors can be increased by growing thicker superconductor layers as well as improving the critical current density J(c)(B) by the incorporation of artificial pinning centers. We studied the properties of pulsed laser deposited BaHfO3 (BHO)-doped YBCO films with thicknesses of up to 5 mu m on buffered rolling-assisted biaxially textured Ni-5 at % W tape and alternating beam assisted deposition textured Yttrium-stabilized ZrO2 layers on stainless steel. X-Ray diffraction confirms the epitaxial growth of the superconductor on the buffered metallic template. BHO additions reduce the film porosity and lower the probability to grow misoriented grains, hence preventing the J(c) decrease observed in undoped YBCO films with thicknesses > 2 mu m. Thereby, a continuous increase in I-c at 77 K is achieved. A mixed structure of secondary phase nanorods and platelets with different orientations increases J(c)(B) in the full angular range and simultaneously lowers the J(c) anisotropy compared to pristine YBCO. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000427623700001 |
Publication Date |
2018-01-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1051-8223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.288 |
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
; This work was supported by EUROTAPES, a collaborative project funded by the European Commission's Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement no. 280432. Max Sieger acknowledges funding by the Graduate Academy of the Technical University Dresden, funded by means of the Excellence Initiative by the German Federal and State Governments. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:150712 |
Serial |
4986 |
| Permanent link to this record |
| |
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| |
| Author |
Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Magnus, W.; Collaert, N.; Mocuta, A.; Groeseneken, G. |
| Title |
Self-consistent procedure including envelope function normalization for full-zone Schrodinger-Poisson problems with transmitting boundary conditions |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
124 |
Issue |
20 |
Pages |
204501 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In the quantum mechanical simulation of exploratory semiconductor devices, continuum methods based on a k.p/envelope function model have the potential to significantly reduce the computational burden compared to prevalent atomistic methods. However, full-zone k.p/envelope function simulation approaches are scarce and existing implementations are not self-consistent with the calculation of the electrostatic potential due to the lack of a stable procedure and a proper normalization of the multi-band envelope functions. Here, we therefore present a self-consistent procedure based on a full-zone spectral k.p/envelope function band structure model. First, we develop a proper normalization for the multi-band envelope functions in the presence of transmitting boundary conditions. This enables the calculation of the free carrier densities. Next, we construct a procedure to obtain self-consistency of the carrier densities with the electrostatic potential. This procedure is stabilized with an adaptive scheme that relies on the solution of Poisson's equation in the Gummel form, combined with successive underrelaxation. Finally, we apply our procedure to homostructure In0.53Ga0.47As tunnel field-effect transistors (TFETs) and staggered heterostructure GaAs0.5Sb0.5/In0.53Ga0.47As TFETs and show the importance of self-consistency on the device predictions for scaled dimensions. Published by AIP Publishing. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
000451743900015 |
Publication Date |
2018-11-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.068 |
Times cited |
1 |
Open Access |
|
| Notes |
; This work was supported by imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 2.068 |
| Call Number |
UA @ admin @ c:irua:156291 |
Serial |
5228 |
| Permanent link to this record |
