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Author |
Bafekry, A.; Yagmurcukardes, M.; Akgenc, B.; Ghergherehchi, M.; Mortazavi, B. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
First-principles investigation of electronic, mechanical and thermoelectric properties of graphene-like XBi (X = Si, Ge, Sn) monolayers |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
23 |
Issue |
21 |
Pages |
12471-12478 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Research progress on single layer group III monochalcogenides has been increasing rapidly owing to their interesting physics. Herein, we investigate the dynamically stable single layer forms of XBi (X = Ge, Si or Sn) using density functional theory calculations. Phonon band dispersion calculations and ab initio molecular dynamics simulations reveal the dynamical and thermal stability of the considered monolayers. Raman spectra calculations indicate the existence of 5 Raman active phonon modes, 3 of which are prominent and can be observed in possible Raman measurements. The electronic band structures of the XBi single layers were investigated with and without the effects of spin-orbit coupling (SOC). Our results show that XBi single layers show semiconducting properties with narrow band gap values without SOC. However, only single layer SiBi is an indirect band gap semiconductor, while GeBi and SnBi exhibit metallic behaviors when adding spin-orbit coupling effects. In addition, the calculated linear elastic parameters indicate the soft nature of the predicted monolayers. Moreover, our predictions for the thermoelectric properties of single layer XBi reveal that SiBi is a good thermoelectric material with increasing temperature. Overall, it is proposed that single layer XBi structures can be alternative, stable 2D single layers with varying electronic and thermoelectric properties. |
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Wos |
000653851100001 |
Publication Date |
2021-04-08 |
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Edition |
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ISSN |
1463-9076; 1463-9084 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.123 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179007 |
Serial |
6992 |
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Permanent link to this record |
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Author |
Sebhatu, K.T.; Gezahegn, T.W.; Berhanu, T.; Maertens, M.; Van Passel, S.; D'Haese, M. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Exploring variability across cooperatives : economic performance of agricultural cooperatives in northern Ethiopia |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
The international food and agribusiness management review |
Abbreviated Journal |
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Volume |
24 |
Issue |
3 |
Pages |
397-419 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
The number of agricultural cooperatives increased quickly in Ethiopia since the 1990s. While many papers studied the impact of membership of Ethiopian cooperatives, not much is known on their performance. This study takes a cooperative-level perspective which is unique in an African context. It compares the economic performance proxied by sales revenue and profit of a wide range of agricultural cooperatives in northern Ethiopia. Data were collected from 511 agricultural cooperatives in 12 districts of Tigray. The contributing factors of the performance are analyzed with Ordinary Least Squares regression (OLS) and Heckman selection models. Our results underscore the importance of membership size, total assets, presence of conflict among members, and union membership. Chairperson characteristics and the internal organization of a cooperative seem to be less correlated to performance. |
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Wos |
000645416400002 |
Publication Date |
2021-03-01 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1096-7508; 1559-2448 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Most recent IF: NA |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179025 |
Serial |
6923 |
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Permanent link to this record |
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Author |
Dehdast, M.; Valiollahi, Z.; Neek-Amal, M.; Van Duppen, B.; Peeters, F.M.; Pourfath, M. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Tunable natural terahertz and mid-infrared hyperbolic plasmons in carbon phosphide |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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Volume |
178 |
Issue |
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Pages |
625-631 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Hyperbolic polaritons in ultra thin materials such as few layers of van derWaals heterostructures provide a unique control over light-matter interaction at the nanoscale and with various applications in flat optics. Natural hyperbolic surface plasmons have been observed on thin films of WTe2 in the light wavelength range of 16-23 mu m (similar or equal to 13-18 THz) [Nat. Commun. 11, 1158 (2020)]. Using time-dependent density functional theory, it is found that carbon doped monolayer phosphorene (beta-allotrope of carbon phosphide monolayer) exhibits natural hyperbolic plasmons at frequencies above similar or equal to 5 THz which is not observed in its parent materials, i.e. monolayer of black phosphorous and graphene. Furthermore, we found that by electrostatic doping the plasmonic frequency range can be extended to the mid-infrared. (C) 2021 Elsevier Ltd. All rights reserved. |
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Wos |
000648729800057 |
Publication Date |
2021-03-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.337 |
Times cited |
11 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.337 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179033 |
Serial |
7039 |
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Permanent link to this record |
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Author |
Akgenc, B.; Sarikurt, S.; Yagmurcukardes, M.; Ersan, F. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
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Title |
Aluminum and lithium sulfur batteries : a review of recent progress and future directions |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
33 |
Issue |
25 |
Pages |
253002 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Advanced materials with various micro-/nanostructures have attracted plenty of attention for decades in energy storage devices such as rechargeable batteries (ion- or sulfur based batteries) and supercapacitors. To improve the electrochemical performance of batteries, it is uttermost important to develop advanced electrode materials. Moreover, the cathode material is also important that it restricts the efficiency and practical application of aluminum-ion batteries. Among the potential cathode materials, sulfur has become an important candidate material for aluminum-ion batteries cause of its considerable specific capacity. Two-dimensional materials are currently potential candidates as electrodes from lab-scale experiments to possible pragmatic theoretical studies. In this review, the fundamental principles, historical progress, latest developments, and major problems in Li-S and Al-S batteries are reviewed. Finally, future directions in terms of the experimental and theoretical applications have prospected. |
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Wos |
000655281200001 |
Publication Date |
2021-04-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.649 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179034 |
Serial |
6971 |
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Permanent link to this record |
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Author |
Varjovi, M.J.; Yagmurcukardes, M.; Peeters, F.M.; Durgun, E. |
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Title |
Janus two-dimensional transition metal dichalcogenide oxides: First-principles investigation of WXO monolayers with X = S, Se, and Te |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
103 |
Issue |
19 |
Pages |
195438 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Structural symmetry breaking in two-dimensional materials can lead to superior physical properties and introduce an additional degree of piezoelectricity. In the present paper, we propose three structural phases (1H, 1T, and 1T') of Janus WXO (X = S, Se, and Te) monolayers and investigate their vibrational, thermal, elastic, piezoelectric, and electronic properties by using first-principles methods. Phonon spectra analysis reveals that while the 1H phase is dynamically stable, the 1T phase exhibits imaginary frequencies and transforms to the distorted 1T' phase. Ab initio molecular dynamics simulations confirm that 1H- and 1T'-WXO monolayers are thermally stable even at high temperatures without any significant structural deformations. Different from binary systems, additional Raman active modes appear upon the formation of Janus monolayers. Although the mechanical properties of 1H-WXO are found to be isotropic, they are orientation dependent for 1T'-WXO. It is also shown that 1H-WXO monolayers are indirect band-gap semiconductors and the band gap narrows down the chalcogen group. Except 1T'-WSO, 1T'-WXO monolayers have a narrow band gap correlated with the Peierls distortion. The effect of spin-orbit coupling on the band structure is also examined for both phases and the alteration in the band gap is estimated. The versatile mechanical and electronic properties of Janus WXO monolayers together with their large piezoelectric response imply that these systems are interesting for several nanoelectronic applications. |
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Wos |
000655902600004 |
Publication Date |
2021-05-26 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
78 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.836 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179050 |
Serial |
7000 |
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Permanent link to this record |
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Author |
Pramanik, G.; Kvakova, K.; Thottappali, M.A.; Rais, D.; Pfleger, J.; Greben, M.; El-Zoka, A.; Bals, S.; Dracinsky, M.; Valenta, J.; Cigler, P. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Inverse heavy-atom effect in near infrared photoluminescent gold nanoclusters |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
12 |
Issue |
23 |
Pages |
10462-10467 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Fluorophores functionalized with heavy elements show enhanced intersystem crossing due to increased spin-orbit coupling, which in turn shortens the fluorescence decay lifetime (tau(PL)). This phenomenon is known as the heavy-atom effect (HAE). Here, we report the observation of increased tau(PL) upon functionalisation of near-infrared photoluminescent gold nanoclusters with iodine. The heavy atom-mediated increase in tau(PL) is in striking contrast with the HAE and referred to as inverse HAE. Femtosecond and nanosecond transient absorption spectroscopy revealed overcompensation of a slight decrease in lifetime of the transition associated with the Au core (ps) by a large increase in the long-lived triplet state lifetime associated with the Au shell, which contributed to the observed inverse HAE. This unique observation of inverse HAE in gold nanoclusters provides the means to enhance the triplet excited state lifetime. |
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Corporate Author |
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Wos |
000657052500001 |
Publication Date |
2021-06-30 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2040-3364 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.367 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge support from GACR project no. 18-12533S. G. P. acknowledges support from EUSMI project no. E180200060; J. P. from the Ministry of Education, Youth and Sports of the Czech Republic – Program INTER-EXCELLENCE (LTAUSA19066). |
Approved |
Most recent IF: 7.367 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179052 |
Serial |
6843 |
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Permanent link to this record |
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Author |
Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Magnetic order and critical temperature of substitutionally doped transition metal dichalcogenide monolayers |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
npj 2D Materials and Applications |
Abbreviated Journal |
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Volume |
5 |
Issue |
1 |
Pages |
54 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations, we investigate the magnetic order in two-dimensional (2D) transition-metal-dichalcogenide (TMD) monolayers: MoS2, MoSe2, MoTe2, WSe2, and WS2 substitutionally doped with period four transition-metals (Ti, V, Cr, Mn, Fe, Co, Ni). We uncover five distinct magnetically ordered states among the 35 distinct TMD-dopant pairs: the non-magnetic (NM), the ferromagnetic with out-of-plane spin polarization (Z FM), the out-of-plane polarized clustered FMs (clustered Z FM), the in-plane polarized FMs (X-Y FM), and the anti-ferromagnetic (AFM) state. Ni and Ti dopants result in an NM state for all considered TMDs, while Cr dopants result in an anti-ferromagnetically ordered state for all the TMDs. Most remarkably, we find that Fe, Mn, Co, and V result in an FM ordered state for all the TMDs, except for MoTe2. Finally, we show that V-doped MoSe2 and WSe2, and Mn-doped MoS2, are the most suitable candidates for realizing a room-temperature FM at a 16-18% atomic substitution. |
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Place of Publication |
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Language |
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Wos |
000650635200004 |
Publication Date |
2021-05-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2397-7132 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179063 |
Serial |
7001 |
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Permanent link to this record |
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Author |
Wang, L.; Li, Y.; Yang, X.-Y.; Zhang, B.-B.; Ninane, N.; Busscher, H.J.; Hu, Z.-Y.; Delneuville, C.; Jiang, N.; Xie, H.; Van Tendeloo, G.; Hasan, T.; Su, B.-L. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Single-cell yolk-shell nanoencapsulation for long-term viability with size-dependent permeability and molecular recognition |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
National Science Review |
Abbreviated Journal |
Natl Sci Rev |
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Volume |
8 |
Issue |
4 |
Pages |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Like nanomaterials, bacteria have been unknowingly used for centuries. They hold significant economic potential for fuel and medicinal compound production. Their full exploitation, however, is impeded by low biological activity and stability in industrial reactors. Though cellular encapsulation addresses these limitations, cell survival is usually compromised due to shell-to-cell contacts and low permeability. Here, we report ordered packing of silica nanocolloids with organized, uniform and tunable nanoporosities for single cyanobacterium nanoencapsulation using protamine as an electrostatic template. A space between the capsule shell and the cell is created by controlled internalization of protamine, resulting in a highly ordered porous shell-void-cell structure formation. These unique yolk-shell nano structures provide long-term cell viability with superior photosynthetic activities and resistance in harsh environments. In addition, engineering the colloidal packing allows tunable shell-pore diameter for size-dependent permeability and introduction of new functionalities for specific molecular recognition. Our strategy could significantly enhance the activity and stability of cyanobacteria for various nanobiotechnological applications. |
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Wos |
000651827200002 |
Publication Date |
2020-05-07 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2095-5138 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.843 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 8.843 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179085 |
Serial |
6885 |
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Permanent link to this record |
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Author |
Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Khatibani, A.B.; Ziabari, A. abdolahzadeh; Ghergherehchi, M.; Nedaei, S.; Shayesteh, S.F.; Gogova, D. |
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Title |
Tunable electronic and magnetic properties of MoSi₂N₄ monolayer via vacancy defects, atomic adsorption and atomic doping |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
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Volume |
559 |
Issue |
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Pages |
149862 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The two dimensional MoSi2N4 (MSN) monolayer exhibiting rich physical and chemical properties was synthesized for the first time last year. We have used the spin-polarized density functional theory to study the effect of different types of point defects on the structural, electronic, and magnetic properties of the MSN monolayer. Adsorbed, substitutionally doped (at different lattice sites), and some kind of vacancies have been considered as point defects. The computational results show all defects studied decrease the MSN monolayer band gap. We found out the H-, O-, and P-doped MSN are n-type conductors. The arsenic-doped MSN, and MSN with vacancy defects have a magnetic moment. The MSN with a Si vacancy defect is a half-metallic which is favorable for spintronic applications, while the MSN with a single N vacancy or double vacancy (N + S) defects are metallic, i. e., beneficial as spin filters and chemical sensors. |
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Wos |
000655645300001 |
Publication Date |
2021-05-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0169-4332 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.387 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.387 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179098 |
Serial |
7038 |
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Permanent link to this record |
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Author |
Pandey, T.; Covaci, L.; Milošević, M.V.; Peeters, F.M. |
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Title |
Flexoelectricity and transport properties of phosphorene nanoribbons under mechanical bending |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
103 |
Issue |
23 |
Pages |
235406 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We examine from first principles the flexoelectric properties of phosphorene nanoribbons under mechanical bending along armchair and zigzag directions. In both cases we find that the radial polarization depends linearly on the strain gradient. The flexoelectricity along the armchair direction is over 40% larger than along the zigzag direction. The obtained flexoelectric coefficients of phosphorene are four orders of magnitude larger than those of graphene and comparable to transition metal dichalcogenides. Analysis of charge density shows that the flexoelectricity mainly arises from the pz orbitals of phosphorus atoms. The electron mobilities in bent phosphorene can be enhanced by over 60% along the armchair direction, which is significantly higher than previous reports of mobility tuned by uniaxial strain. Our results indicate phosphorene is a candidate for a two-dimensional material applicable in flexible-electronic devices. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000657129800006 |
Publication Date |
2021-06-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
12 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.836 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179109 |
Serial |
6996 |
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Permanent link to this record |
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Author |
Chee, S.-S.; Greboval, C.; Vale Magalhaes, D.; Ramade, J.; Chu, A.; Qu, J.; Rastogi, P.; Khalili, A.; Dang, T.H.; Dabard, C.; Prado, Y.; Patriarche, G.; Chaste, J.; Rosticher, M.; Bals, S.; Delerue, C.; Lhuillier, E. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Correlating structure and detection properties in HgTe nanocrystal films |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Nano Letters |
Abbreviated Journal |
Nano Lett |
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Volume |
21 |
Issue |
10 |
Pages |
4145-4151 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
HgTe nanocrystals (NCs) enable broadly tunable infrared absorption, now commonly used to design light sensors. This material tends to grow under multipodic shapes and does not present well-defined size distributions. Such point generates traps and reduces the particle packing, leading to a reduced mobility. It is thus highly desirable to comprehensively explore the effect of the shape on their performance. Here, we show, using a combination of electron tomography and tight binding simulations, that the charge dissociation is strong within HgTe NCs, but poorly shape dependent. Then, we design a dual-gate field-effect-transistor made of tripod HgTe NCs and use it to generate a planar p-n junction, offering more tunability than its vertical geometry counterpart. Interestingly, the performance of the tripods is higher than sphere ones, and this can be correlated with a stronger Te excess in the case of sphere shapes which is responsible for a higher hole trap density. |
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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 |
000657242300002 |
Publication Date |
2021-05-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.712 |
Times cited |
20 |
Open Access |
OpenAccess |
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Notes |
The project is supported by ERC starting grant blackQD (Grant No. 756225) and consolidator grant Realnano (815128). This project has received funding from the European Commission (Grant 731019, EUSMI). We acknowledge the use of cleanroom facilities from the “Centrale de Proximité Paris-Centre”. This work has been supported by the Region Ile-de-France in the framework of DIM Nano-K (Grant dopQD). This work was supported by French state funds managed by the ANR within the Investissements d’Avenir programme under reference ANR11-IDEX-0004-02, and more specifically within the framework of the Cluster of Excellence MATISSE and also by grants IPERNano2 (ANR-18CE30-0023-01), Copin (ANR-19-CE24- 0022), Frontal (ANR-19-CE09-0017), Graskop (ANR-19- CE09-0026), and NITQuantum (ANR-20-ASTR-0008-01). A.C. thanks Agence innovation defense for Ph.D. funding; sygmaSB |
Approved |
Most recent IF: 12.712 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179127 |
Serial |
6837 |
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Permanent link to this record |
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Author |
Shi, W.; Pandey, T.; Lindsay, L.; Woods, L.M. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Vibrational properties and thermal transport in quaternary chalcogenides : the case of Te-based compositions |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
5 |
Issue |
4 |
Pages |
045401 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Vibrational thermal properties of CuZn2InTe4, AgZn2InTe4, and Cu2CdSnTe4, derived from binary II-VI zinc-blendes, are reported based on first-principles calculations. While the chalcogenide atoms in these materials have the same lattice positions, the cation atom arrangements vary, resulting in different crystal symmetries and subsequent properties. The compositional differences have important effects on the vibrational thermal characteristics of the studied materials, which demonstrate that low-frequency optical phonons hybridize with acoustic phonons and lead to enhanced phonon-phonon scattering and low lattice thermal conductivities. The phonon density of states, mode Gruneisen parameters, and phonon scattering rates are also calculated, enabling deeper insight into the microscopic thermal conduction processes in these materials. Compositional variations drive differences among the three materials considered here; nonetheless, their structural similarities and generally low thermal conductivities (0.5-4 W/mK at room temperature) suggest that other similar II-VI zinc-blende derived materials will also exhibit similarly low values, as also corroborated by experimental data. This, combined with the versatility in designing a variety of motifs on the overall structure, makes quaternary chalcogenides interesting for thermal management and energy conversion applications that require low thermal conductivity. |
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Corporate Author |
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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 |
000655931400005 |
Publication Date |
2021-04-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179140 |
Serial |
7045 |
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Permanent link to this record |
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Author |
Zhang, Z.; Bourgeois, L.; Zhang, Y.; Rosalie, J.M.; Medhekar, N. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Advanced imaging and simulations of precipitate interfaces in aluminium alloys and their role in phase transformations |
Type |
P1 Proceeding |
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Year |
2020 |
Publication |
MATEC web of conferences
T2 – 17th International Conference on Aluminium Alloys (ICAA), October 26-29, 2020 |
Abbreviated Journal |
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Volume |
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Issue |
|
Pages |
09003 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Precipitation is accompanied by the formation and migration of heterophase interfaces. Using the combined approach of advanced imaging and atomistic simulations, we studied the precipitate-matrix interfaces in various aluminium alloy systems, aiming to resolve their detailed atomic structures and illuminate their role in phase transformations. |
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Corporate Author |
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Place of Publication |
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Wos |
000652552200053 |
Publication Date |
2020-11-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
326 |
Series Issue |
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Edition |
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ISSN |
2261-236x; 2274-7214 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179147 |
Serial |
6851 |
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Permanent link to this record |
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Author |
Dillen, A.; Vandezande, W.; Daems, D.; Lammertyn, J. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Unraveling the effect of the aptamer complementary element on the performance of duplexed aptamers : a thermodynamic study |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Analytical And Bioanalytical Chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
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Volume |
413 |
Issue |
19 |
Pages |
4739-4750 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Duplexed aptamers (DAs) are widespread aptasensor formats that simultaneously recognize and signal the concentration of target molecules. They are composed of an aptamer and aptamer complementary element (ACE) which consists of a short oligonucleotide that partially inhibits the aptamer sequence. Although the design principles to engineer DAs are straightforward, the tailored development of DAs for a particular target is currently based on trial and error due to limited knowledge of how the ACE sequence affects the final performance of DA biosensors. Therefore, we have established a thermodynamic model describing the influence of the ACE on the performance of DAs applied in equilibrium assays and demonstrated that this relationship can be described by the binding strength between the aptamer and ACE. To validate our theoretical findings, the model was applied to the 29-mer anti-thrombin aptamer as a case study, and an experimental relation between the aptamer-ACE binding strength and performance of DAs was established. The obtained results indicated that our proposed model could accurately describe the effect of the ACE sequence on the performance of the established DAs for thrombin detection, applied for equilibrium assays. Furthermore, to characterize the binding strength between the aptamer and ACEs evaluated in this work, a set of fitting equations was derived which enables thermodynamic characterization of DNA-based interactions through thermal denaturation experiments, thereby overcoming the limitations of current predictive software and chemical denaturation experiments. Altogether, this work encourages the development, characterization, and use of DAs in the field of biosensing. |
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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 |
000659366300001 |
Publication Date |
2021-06-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1618-2642; 1618-2650 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.431 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.431 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179163 |
Serial |
8713 |
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Permanent link to this record |
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Author |
Zhou, X.-G.; Yang, C.-Q.; Sang, X.; Li, W.; Wang, L.; Yin, Z.-W.; Han, J.-R.; Li, Y.; Ke, X.; Hu, Z.-Y.; Cheng, Y.-B.; Van Tendeloo, G. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Probing the electron beam-induced structural evolution of halide perovskite thin films by scanning transmission electron microscopy |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
125 |
Issue |
19 |
Pages |
10786-10794 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
A deep understanding of the fine structure at the atomic scale of halide perovskite materials has been limited by their sensitivity to the electron beam that is widely used for structural characterization. The sensitivity of a gamma-CsPbIBr2 perovskite thin film under electron beam irradiation is revealed by scanning transmission electron microscopy (STEM) through a universal large-range electron dose measurement, which is based on discrete single-electron events in the STEM mode. Our research indicates that the gamma-CsPbIBr2 thin film undergoes structural changes with increasing electron overall dose (e(-).A(-2)) rather than dose rate (e(-).A(-2).s(-1)), which suggests that overall dose is the key operative parameter. The electron beam-induced structural evolution of gamma-CsPbIBr2 is monitored by fine control of the electron beam dose, together with the analysis of high-resolution (S)TEM, diffraction, and energy-dispersive X-ray spectroscopy. Our results show that the gamma-CsPbIBr2 phase first forms an intermediate phase [e.g., CsPb(1-x)(IBr)((3-y))] with a superstructure of ordered vacancies in the pristine unit cell, while a fraction of Pb2+ is reduced to Pb-0. As the electron dose increases, Pb nanoparticles precipitate, while the remaining framework forms the Cs2IBr phase, accompanied by some amorphization. This work provides guidelines to minimize electron beam irradiation artifacts for atomic-resolution imaging on CsPbIBr2 thin films. |
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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 |
000655640900061 |
Publication Date |
2021-05-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.536 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179187 |
Serial |
6880 |
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Permanent link to this record |
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Author |
Bafekry, A.; Mortazavi, B.; Faraji, M.; Shahrokhi, M.; Shafique, A.; Jappor, H.R.; Nguyen, C.; Ghergherehchi, M.; Feghhi, S.A.H. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Ab initio prediction of semiconductivity in a novel two-dimensional Sb₂X₃ (X= S, Se, Te) monolayers with orthorhombic structure |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Scientific Reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
11 |
Issue |
1 |
Pages |
10366 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Sb2S3 and Sb2Se3 are well-known layered bulk structures with weak van der Waals interactions. In this work we explore the atomic lattice, dynamical stability, electronic and optical properties of Sb2S3, Sb2Se3 and Sb2Te3 monolayers using the density functional theory simulations. Molecular dynamics and phonon dispersion results show the desirable thermal and dynamical stability of studied nanosheets. On the basis of HSE06 and PBE/GGA functionals, we show that all the considered novel monolayers are semiconductors. Using the HSE06 functional the electronic bandgap of Sb2S3, Sb2Se3 and Sb2Te3 monolayers are predicted to be 2.15, 1.35 and 1.37 eV, respectively. Optical simulations show that the first absorption coefficient peak for Sb2S3, Sb2Se3 and Sb2Te3 monolayers along in-plane polarization is suitable for the absorption of the visible and IR range of light. Interestingly, optically anisotropic character along planar directions can be desirable for polarization-sensitive photodetectors. Furthermore, we systematically investigate the electrical transport properties with combined first-principles and Boltzmann transport theory calculations. At optimal doping concentration, we found the considerable larger power factor values of 2.69, 4.91, and 5.45 for hole-doped Sb2S3, Sb2Se3, and Sb2Te3, respectively. This study highlights the bright prospect for the application of Sb2S3, Sb2Se3 and Sb2Te3 nanosheets in novel electronic, optical and energy conversion systems. |
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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 |
000656961400019 |
Publication Date |
2021-05-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.259 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179188 |
Serial |
6965 |
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Permanent link to this record |
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Author |
Gezahegn, T.W.; Van Passel, S.; Berhanu, T.; D'Haese, M.; Maertens, M. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Structural and institutional heterogeneity among agricultural cooperatives in Ethiopia : does it matter for farmers' welfare? |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Agricultural And Resource Economics |
Abbreviated Journal |
J Agr Resour Econ |
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Volume |
46 |
Issue |
2 |
Pages |
325-342 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
This paper analyzes how structural and institutional heterogeneity among irrigation cooperatives shapes the impact of membership on farmers' welfare in northern Ethiopia, using a novel heteroskedasticity-based identification strategy. More specifically, we estimate how cooperative characteristics influence members' income and poverty level. We find that stricter water use regulations have income-enhancing and poverty-reducing effects for farmers. We also find that farmers benefit more from membership in larger, younger, and bottom-up cooperatives initiated through grassroots collective action. Our findings have implications for irrigation development in Ethiopia and call for a better deliberation of organizational heterogeneity in cooperative impact studies |
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Wos |
000656121100010 |
Publication Date |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1068-5502; 2327-8285 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 1 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179190 |
Serial |
6945 |
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Permanent link to this record |
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Author |
Balashova, I.O.; Tolbin, A.Y.; Tarakanov, P.A.; Krot, A.R.; Fedorova, K., V; Sergeeva, I.A.; Trashin, S.A.; De Wael, K.; Pushkarev, V.E.; Koifman, M.O.; Ponomarev, G., V. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
A covalently linked dyad based on zinc phthalocyanine and methylpheophorbide α : synthetic and physicochemical study |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Macroheterocycles |
Abbreviated Journal |
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Volume |
14 |
Issue |
1 |
Pages |
40-50 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The first covalently linked conjugate of metal phthalocyaninate and chlorin e(6) derivative has been obtained by transesterification of alpha-ketomethyl ester in methylpheophorbide a with zinc(II) 2-(2-hydroxymethylbenzyloxy)-9(10),16(17),23(24)-tri-tert-butylphthalocyaninate under mild conditions. The dyad exhibits a panchromatic nature revealing both the phthalocyanine and pheophorbide derived bands in the UV-Vis absorption spectrum. The H-1 NMR spectroscopy data combined with theoretical calculations indicate the presence of spatial intramolecular interactions between the phthalocyanine, pheophorbide and spacer fragments of the dyad allowing to forecast its enhanced nonlinear optical properties, as well as the characteristic energy transfer from the excited pheophorbide subunit to the phthalocyanine core. Indeed, when excited in the UV-Vis range, the conjugate shows red fluorescence with the spectral maximum at 686 nm, which is close to the one of the initial zinc phthalocyaninate. Furthermore, the dyad effectively generates singlet oxygen and, in the presence of polyvinylpyrrolidone (PVP) as biocompatible solubilizer, forms stable micellar saline solutions with the particles ranged in size between 40 and 100 nm. These nanoparticles represent promising third-generation photosensitizing systems for application in theranostics. |
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Wos |
000659682000003 |
Publication Date |
2021-06-25 |
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Series Editor |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179196 |
Serial |
7386 |
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Permanent link to this record |
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Author |
Bjørnåvold, A. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Unlocking lock-in : accelerating socio-technical transitions to sustainability |
Type |
Doctoral thesis |
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Year |
2021 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
189 p. |
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Keywords |
Doctoral thesis; Linguistics; Engineering Management (ENM) |
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Abstract |
Achieving global sustainability goals will require cleaner and cheaper technologies. Public policy is central to achieving these goals and, in turn, ensuring a quicker pace of change. A major obstacle lies in the fact that technologies cannot be considered isolated entities: they are embedded in a powerful social context of cultural, organisational and institutional systems. This intertwining of different elements is referred to as a socio-technical system. This thesis discusses how socio-technical systems have, over time, allowed locked-in configurations to emerge, referring to a combination of systematic forces that perpetuate unsustainable infrastructures embedded in society. Such lock-ins can inhibit innovation and competitiveness of low-carbon and sustainable technologies, and this thesis looks to concrete solutions for unlocking them. Vital to this objective lies better understanding preferences, intentions, and behaviour of actors involved at each stage of technological development to improve public policy design. A discrete choice experiment – a quantitative non-market valuation method – was, therefore, a core method used to model preferences of key target groups. Target groups considered in the four components of the thesis include i) industry players, ii) policymakers, iii) farmers, and iv) the general public in Belgium, France, Germany, Italy and Spain. The thesis seeks to establish how both economic and regulatory instruments can be leveraged to overcome lock-in. One conclusion sees that implementing an efficient environmental tax regime – an economic instrument – requires balancing political feasibility and public acceptance considerations in line with tax and environmental policy. Results indicate that public acceptance for environmental taxation increases with earmarking. Another conclusion highlights the importance of taking behavioural and habitual considerations into account – both when considering policymakers’ investment decisions, and farmers’ decisions to adopting agro-ecological practices when responding to regulatory instruments. Overall, policy design should emphasise a more continuous and systemic approach to innovation and technology policy on the road to accelerating socio-technical transitions to sustainability. |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
978-90-5728-692-6 |
Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179247 |
Serial |
6949 |
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Permanent link to this record |
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Author |
Du, K. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
In situ TEM study on the manipulation of ferroelectrics |
Type |
Doctoral thesis |
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Year |
2021 |
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Abbreviated Journal |
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Volume |
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Pages |
91 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The strong correlated oxide systems attract a lot of attentions of scientists recently, the coexistence and interplay between various degrees of freedom, such as charge, spin and orbital, has been demonstrated to induce some fancy physical properties and phenomenon, including metal-insulator transition, high temperature superconductivity, colossal magnetoresistance. As a part of the strong correlated oxide systems, the ferroelectrics is abundant in both physical properties and application. First, if the electric dipole continuously rotating around a stable core then a topological structure is produced. If people could manipulate the topological structure and simultaneously observe the structure evolution, with external field applied on the topological structure, then it is very likely for such kind of ferroelectrics to be the next generation of storage, for it is reported to need low power input and produce high density of storage. In the other hand, in solids, charge polarity can one-to-one correspond to spin polarity phenomenologically, such as ferroelectricity and ferromagnetism, antiferroelectricity and antiferromagnetism, but ferrielectricity and ferrimagnetism kept telling a disparate story in microscopic level. The claimed “ferrielectrics” in existing research is equivalent to ferroelectric ones, thus the findings of such a real irreducible solids would complete the last piece of the ferroelectrics family. While solving the above two questions remain challengeable: the size of topological structure is small (typically below 10 nm), general characterization methods are insufficient for such high demand on space resolution, not to mention manipulating and observing its dynamic behavior at an atomic level. Here, employing the spherical aberration corrected electron microscope, we applied external field (heating and bias) on ferroelectrics. Combined with high-end characterization methods including the high-angle annular dark field (HAADF-STEM) image, Electron Energy Loss Spectroscopy (EELS) and integrated differential phase contrast (iDPC), the dynamic evolution of ferroelectrics are observed and analyzed. The main findings of this paper could be concluded as listed here: (1) PbTiO3(001)// SrTiO3(001) is grown on DyScO3 and SrRuO3 by pusled laser deposition, the atomical EDS mapping results reveal that the interface between PTO and STO is atomically sharp. Increasing the thickness of PTO from 1 uc to 21 uc, the topological structure wihtin PTO layer would transform from a/c domain to wave, vortex and finally flux closure domain. The geometric phase analysis results (GPA) reveal that above topological structures are corresponding to various strain. (2) Combined with in-situ biasing holder, the electric bias was applied on polar vortex, and it evolved from vortex (0 V) to polar wave (2 V) and finally polar down (5 V). EELS analysis was performed and we find that negative charge is gathered at vortex core, which turns the Ti4+ to Ti3+ there. The oxygen vacancy at negative polarization surface and the negative charge at the positive polarization surface realized the polarization screening of polar down domain. (3) Through the atomic inspection and analysis on lattice structure of BaFe2Se3, the near ladders within single unit are found to be different in degree of tetramerization, thus leading to a residual polarization along the a-axis. The further in-situ heating and biasing experiment was conducted on BaFe2Se3, and the strong and weak ladders are proved to be independent for their behavior under external field. This findings distinguishes ferrielectrics from ferroelectrics in solids. |
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UA library record |
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Open Access |
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Most recent IF: NA |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179310 |
Serial |
6842 |
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Permanent link to this record |
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Author |
Buyle, M.; Maes, B.; Van Passel, S.; Boonen, K.; Vercalsteren, A.; Audenaert, A. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Ex-ante LCA of emerging carbon steel slag treatment technologies : fast forwarding lab observations to industrial-scale production |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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Volume |
313 |
Issue |
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Pages |
127921 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Energy and Materials in Infrastructure and Buildings (EMIB) |
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Abstract |
The valuable properties of carbon steel slag are currently underexploited. To date, research mainly focusses on valorising a single property of the slag. In this study an ex-ante life cycle assessment (LCA) was applied to evaluate the environmental profile of a novel technological pathway aimed at the extraction of chromium from carbon steel slag in combination with high quality valorisation of the residual matrix material. A comparison with current practice was made, not only by calculating the environmental impact of the lab scale observations, but more importantly by estimating the impact on an industrial scale. Practical guidance on ex-ante LCA is limited, so this study contributes by incorporating simulations on thermodynamic behaviour, complemented with empirical calculation rules and including information derived from similar technologies to perform the upscaling. These principles of ex-ante LCA were applied to the lab results of two consecutive research iterations. Substantial improvements of the environmental profile were observed: ex-ante results turned out to be a factor 20 lower compared to the results from the lab observations after the first iteration and had decreased by a factor 2 compared to the small pilot scale of the second iteration. All upscaled results are better than those from the worst case reference scenario (landfill). Based on the experience gained after this iterative research cycle, a practical recommendation is that at a low technology readiness level using more simple calculation rules in combination with a flowsheet based on elementary design principles for processes at an industrial scale is a more efficient way of modelling compared to a fully-fledged process design from the start. |
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Wos |
000693416000002 |
Publication Date |
2021-06-14 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.715 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 5.715 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179313 |
Serial |
6922 |
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Permanent link to this record |
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Author |
Daems, E.; Moro, G.; Campos, R.; De Wael, K. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Mapping the gaps in chemical analysis for the characterisation of aptamer-target interactions |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Trac-Trends In Analytical Chemistry |
Abbreviated Journal |
Trac-Trend Anal Chem |
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Volume |
142 |
Issue |
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Pages |
116311 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Aptamers are promising biorecognition elements with a wide applicability from therapeutics to bio-sensing. However, to successfully use these biomolecules, a complete characterisation of their bindingperformance in the presence of the target is crucial. Several multi-analytical approaches have been re-ported including techniques to describe kinetic and thermodynamic aspects of the aptamer-targetinteraction, and techniques which allow an in-depth understanding of the aptamer-target structures.Recent literature shows the need of a critical data interpretation, a combination of characterisationtechniques and suggests the key role of the characterisation protocol design. Indeed, thefinal applicationof the aptamer should be considered before choosing the characterisation method. All the limitations andcapabilities of the analytical tools in use for aptamer characterisation should be taken into account. Here,we present a critical overview of the current methods and multi-analytical approaches to study aptamer-target binding, aiming to provide researchers with guidelines for the design of characterisation protocols. |
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Wos |
000682179000010 |
Publication Date |
2021-04-28 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0165-9936; 1879-3142 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.442 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 8.442 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179407 |
Serial |
8203 |
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Permanent link to this record |
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Author |
Van Echelpoel, R.; de Jong, M.; Daems, D.; van Espen, P.; De Wael, K. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Unlocking the full potential of voltammetric data analysis : a novel peak recognition approach for (bio)analytical applications |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Talanta |
Abbreviated Journal |
Talanta |
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Volume |
233 |
Issue |
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Pages |
122605 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Bridging the gap between complex signal data output and clear interpretation by non-expert end-users is a major challenge many scientists face when converting their scientific technology into a real-life application. Currently, pattern recognition algorithms are the most frequently encountered signal data interpretation algorithms to close this gap, not in the least because of their straight-forward implementation via convenient software packages. Paradoxically, just because their implementation is so straight-forward, it becomes cumbersome to integrate the expert's domain-specific knowledge. In this work, a novel signal data interpretation approach is presented that uses this domain-specific knowledge as its fundament, thereby fully exploiting the unique expertise of the scientist. The new approach applies data preprocessing in an innovative way that transcends its usual purpose and is easy to translate into a software application. Multiple case studies illustrate the straight-forward application of the novel approach. Ultimately, the approach is highly suited for integration in various (bio)analytical applications that require interpretation of signal data. |
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000668000500108 |
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2021-06-11 |
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ISSN |
0039-9140; 1873-3573 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.162 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.162 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179417 |
Serial |
8712 |
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Permanent link to this record |
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Author |
Tschulkow, M.; Compernolle, T.; Van Passel, S. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Optimal timing of multiple investment decisions in a wood value chain : a real options approach |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Environmental Management |
Abbreviated Journal |
J Environ Manage |
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Volume |
290 |
Issue |
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Pages |
112590 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
A new reductive catalytic fractionation biorefinery process (RCF) is currently being developed transforming wood into high-value end-products. RCF is considered to be in the pilot stage with a technology readiness level of 5–6. Apart from the RCF-process characteristics, the economic feasibility also depends on the investment decisions that are made upstream and downstream within the wood value chain, increasing the level of uncertainty. Two investment options within the value chain are considered: an option to invest in harvesting equipment and an option to invest in the RCF. To understand the impact of multiple sources of uncertainty on the decision to invest in an innovative RCF-driven wood value chain, an analytical two-factor real options model is presented, accounting for correlated cost and price uncertainties. Two different scenarios, separated and united investments in harvesting equipment and RCF, are analyzed. In both scenarios, market uncertainty postpones investment in comparison to the traditional NPV approach. When both investments are considered separately, the investment in RCF is expected to be earlier than the investment in harvesting equipment. When both investment decisions are united, the probability of investment increases. The study reveals that RCF has the potential to stimulate investments from different investors, –upstream and midstream–, within the wood value chain. Besides, the introduced real options model proofs its ability to assess the economic feasibility of innovative technologies (e.g RCF) individually or within the value chain, taking into account multiple sources of uncertainty. |
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Wos |
000656438000005 |
Publication Date |
2021-04-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0301-4797 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.01 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.01 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179487 |
Serial |
6937 |
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Permanent link to this record |
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Author |
De wael, A. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Model-based quantitative scanning transmission electron microscopy for measuring dynamic structural changes at the atomic scale |
Type |
Doctoral thesis |
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Year |
2021 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
xiv, 146 p. |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Abstract |
Nanomaterialen kunnen uiterst interessante eigenschappen vertonen voor een verscheidenheid aan veelbelovende toepassingen, gaande van zonnecrème tot batterijen voor elektrische auto’s. Een nanometer is een miljard keer kleiner dan een meter. Op deze schaal kunnen de materiaaleigenschappen volledig verschillen van bulkmaterialen op grotere schaal. Bovendien hangen de eigenschappen van nanomaterialen sterk af van hun exacte grootte en vorm. Kleine verschillen in de posities van de atomen, in de grootte-orde van een picometer (nog eens duizend maal kleiner dan een nanometer), kunnen de fysische eigenschappen al drastisch beïnvloeden. Daarom is een betrouwbare kwantificering van de atomaire structuur van kritisch belang om de evolutie naar materiaalontwerp mogelijk te maken en inzicht te verwerven in de relatie tussen de fysische eigenschappen en de structuur van nanomaterialen. Daarnaast kan de atomaire structuur van nanomaterialen ook veranderen in de loop van de tijd ten gevolge van verschillende fysische processen. Het onderzoek dat in deze thesis gepresenteerd wordt, maakt het mogelijk om de dynamische structuurveranderingen van nanomaterialen betrouwbaar te kwantificeren op atomaire schaal door gebruik te maken van raster transmissie elektronenmicroscopie (STEM). Ik heb dit gerealiseerd door methodes te ontwikkelen waarmee ik het aantal atomen “achter elkaar” kan tellen in elke atoomkolom van een nanomateriaal, en dit op basis van beelden opgenomen met een elektronenmicroscoop. Een belangrijk verschil met telmethodes voor de analyse van een enkel beeld is het schatten van de kans dat een atoomkolom atomen zal verliezen of bijkrijgen van het ene naar het andere beeld in de tijdreeks. Deze kwantitatieve methode kan het ontrafelen van de tijdsafhankelijke structuur-eigenschappen relatie van een nanomateriaal mogelijk maken, wat uiteindelijk kan leiden tot efficiënter design en productie van nanomaterialen voor innovatieve toepassingen. |
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UA library record |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179514 |
Serial |
6870 |
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Permanent link to this record |
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Author |
Safdel, A.; Zarei-Hanzaki, A.; Abedi, H.R.; Pourbabak, S.; Schryvers, D.; Basu, R. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Asymmetrical superelastic behavior of thermomechanically processed semi-equiatomic NiTi alloy in tensile and compressive modes of deformation |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Alloys And Compounds |
Abbreviated Journal |
J Alloy Compd |
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Volume |
878 |
Issue |
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Pages |
160443 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In the present work two different cold working and annealing schemes were utilized, and the asymmetric superelastic response of thermomechanically processed materials were then assessed through cyclic tensile and compressive modes of deformation. The values of transformation stress, transformation strain, and pseudoelastic strain were measured for each treated and solutionized specimens and the asymmetric response was compared. In the solution annealed state, the difference of these parameters at different deformation modes was negligible due to the weak texture of the material, while for thermomechanically treated ones, development of specific deformation and recrystallization texture components was identified to be one of the underlying reasons of intensified asymmetry. The evolved substructure during the thermomechanical processing also played a substantial role in determining the asymmetric response. The presence of fine grains and dense dislocation substructure could hinder the movement of the transformation front, thus limiting the range of transformation. In tensile mode, the transformation stress was lower, but higher transformation strain was achieved, which was discussed relying on the slip activity in specified oriented grains. The lower transformation strain in compression mode led to lower pseudoelastic strain due to the narrow transformation range which finally degraded superelastic response of the material. (C) 2021 Elsevier B.V. All rights reserved. |
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000660477400005 |
Publication Date |
2021-05-18 |
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Edition |
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ISSN |
0925-8388 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.133 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.133 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179564 |
Serial |
6855 |
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Permanent link to this record |
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Author |
Hoat, D.M.; Nguyen, D.K.; Bafekry, A.; Van On, V.; Ul Haq, B.; Rivas-Silva, J.F.; Cocoletzi, G.H. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Strain-driven modulation of the electronic, optical and thermoelectric properties of beta-antimonene monolayer : a hybrid functional study |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Materials Science In Semiconductor Processing |
Abbreviated Journal |
Mat Sci Semicon Proc |
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131 |
Issue |
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Pages |
105878 |
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A1 Journal article; Condensed Matter Theory (CMT) |
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Electronic, optical, and thermoelectric properties of the beta-antimonene (beta-Sb) monolayer under the external biaxial strain effects are fully investigated through the first-principles calculations. The studied two-dimensional (2D) system is dynamically and structurally stable as examined via phonon spectrum and cohesive energy. At equilibrium, the beta-Sb single layer exhibits an indirect band gap of 1.310 and 1.786 eV as predicted by the PBE and HSE06 functionals, respectively. Applying external strain may induce the indirect-direct gap transition and significant variation of the energy gap. The calculated optical spectra indicate the enhancement of the optical absorption in a wide energy range from infrared to ultraviolet as induced by the applied strain. In the visible and ultraviolet regime, the absorption coefficient can reach values as large as 82.700 (10(4)/cm) and 91.458 (10(4)/cm). Results suggest that the thermoelectric performance may be improved considerably by applying proper external strain with the figure of merit reaching a value of 0.665. Our work demonstrates that the external biaxial strains may be an effective method to make the beta-Sb monolayer prospective 2D material for optoelectronic and thermoelectric applications. |
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Wos |
000663422800002 |
Publication Date |
2021-04-23 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1369-8001 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.359 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.359 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179565 |
Serial |
7021 |
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Author |
Zalalutdinov, M.K.; Robinson, J.T.; Fonseca, J.J.; LaGasse, S.W.; Pandey, T.; Lindsay, L.R.; Reinecke, T.L.; Photiadis, D.M.; Culbertson, J.C.; Cress, C.D.; Houston, B.H. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Acoustic cavities in 2D heterostructures |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Nature Communications |
Abbreviated Journal |
Nat Commun |
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Volume |
12 |
Issue |
1 |
Pages |
3267 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Two-dimensional (2D) materials offer unique opportunities in engineering the ultrafast spatiotemporal response of composite nanomechanical structures. In this work, we report on high frequency, high quality factor (Q) 2D acoustic cavities operating in the 50-600GHz frequency (f) range with f x Q up to 1 x 10(14). Monolayer steps and material interfaces expand cavity functionality, as demonstrated by building adjacent cavities that are isolated or strongly-coupled, as well as a frequency comb generator in MoS2/h-BN systems. Energy dissipation measurements in 2D cavities are compared with attenuation derived from phonon-phonon scattering rates calculated using a fully microscopic ab initio approach. Phonon lifetime calculations extended to low frequencies (<1THz) and combined with sound propagation analysis in ultrathin plates provide a framework for designing acoustic cavities that approach their fundamental performance limit. These results provide a pathway for developing platforms employing phonon-based signal processing and for exploring the quantum nature of phonons. Here, authors report on acoustic cavities in 2D materials operating in the 50-600GHz range and show that quality factors approach the limit set by lattice anharmonicity. Functionality expanded by heterogeneities (steps and interfaces) is demonstrated through coupled cavities and frequency comb generation. |
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Wos |
000660772400004 |
Publication Date |
2021-06-01 |
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ISSN |
2041-1723 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 12.124 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179597 |
Serial |
6968 |
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Permanent link to this record |
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Author |
Lyu, Y.-Y.; Jiang, J.; Wang, Y.-L.; Xiao, Z.-L.; Dong, S.; Chen, Q.-H.; Milošević, M.V.; Wang, H.; Divan, R.; Pearson, J.E.; Wu, P.; Peeters, F.M.; Kwok, W.-K. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Superconducting diode effect via conformal-mapped nanoholes |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Nature Communications |
Abbreviated Journal |
Nat Commun |
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Volume |
12 |
Issue |
1 |
Pages |
2703 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
A superconducting diode is an electronic device that conducts supercurrent and exhibits zero resistance primarily for one direction of applied current. Such a dissipationless diode is a desirable unit for constructing electronic circuits with ultralow power consumption. However, realizing a superconducting diode is fundamentally and technologically challenging, as it usually requires a material structure without a centre of inversion, which is scarce among superconducting materials. Here, we demonstrate a superconducting diode achieved in a conventional superconducting film patterned with a conformal array of nanoscale holes, which breaks the spatial inversion symmetry. We showcase the superconducting diode effect through switchable and reversible rectification signals, which can be three orders of magnitude larger than that from a flux-quantum diode. The introduction of conformal potential landscapes for creating a superconducting diode is thereby proven as a convenient, tunable, yet vastly advantageous tool for superconducting electronics. This could be readily applicable to any superconducting materials, including cuprates and iron-based superconductors that have higher transition temperatures and are desirable in device applications. A superconducting diode is dissipationless and desirable for electronic circuits with ultralow power consumption, yet it remains challenging to realize it. Here, the authors achieve a superconducting diode in a conventional superconducting film patterned with a conformal array of nanoscale holes. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Wos |
000658724200018 |
Publication Date |
2021-05-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2041-1723 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
71 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 12.124 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179611 |
Serial |
7024 |
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Permanent link to this record |
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Author |
Petrov, M.; Bekaert, J.; Milošević, M.V. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Superconductivity in gallenene |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
2d Materials |
Abbreviated Journal |
2D Mater |
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Volume |
8 |
Issue |
3 |
Pages |
035056 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Among the large variety of two-dimensional (2D) materials discovered to date, elemental monolayers that host superconductivity are very rare. Using ab initio calculations we show that recently synthesized gallium monolayers, coined gallenene, are intrinsically superconducting through electron-phonon coupling. We reveal that Ga-100 gallenene, a planar monolayer isostructural with graphene, is the structurally simplest 2D superconductor to date, furthermore hosting topological edge states due to its honeycomb structure. Our anisotropic Eliashberg calculations show distinctly three-gap superconductivity in Ga-100, in contrast to the alternative buckled Ga-010 gallenene which presents a single anisotropic superconducting gap. Strikingly, the critical temperature (T ( c )) of gallenene is in the range of 7-10 K, exceeding the T ( c ) of bulk gallium from which it is exfoliated. Finally we explore chemical functionalization of gallenene with hydrogen, and report induced multigap superconductivity with an enhanced T ( c ) in the resulting gallenane compound. |
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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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Language |
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Wos |
000667458500001 |
Publication Date |
2021-06-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.937 |
Times cited |
8 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6.937 |
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Call Number ![sorted by Call Number field, ascending order (up)](img/sort_asc.gif) |
UA @ admin @ c:irua:179623 |
Serial |
7025 |
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Permanent link to this record |